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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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/WT-49920443/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WT-49920443/inputs/seq.fa: 1 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUAUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCGGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCGGCGCACAGAG 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -989.883911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.883911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.883911 (E_RNA) where: Base-Base interactions energy: -48.055 where: short stacking energy: -48.055 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: -1172.803824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.803824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.803824 (E_RNA) where: Base-Base interactions energy: -482.754 where: short stacking energy: -476.649 Base-Backbone interact. energy: 0.229 local terms energy: -690.278732 where: bonds (distance) C4'-P energy: -150.204 bonds (distance) P-C4' energy: -155.818 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -105.514 tors. eta vs tors. theta energy: -121.577 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1146.748831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.748831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.748831 (E_RNA) where: Base-Base interactions energy: -484.107 where: short stacking energy: -484.107 Base-Backbone interact. energy: -0.379 local terms energy: -662.262979 where: bonds (distance) C4'-P energy: -147.886 bonds (distance) P-C4' energy: -161.601 flat angles C4'-P-C4' energy: -144.204 flat angles P-C4'-P energy: -86.663 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1047.564017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.564017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.564017 (E_RNA) where: Base-Base interactions energy: -421.686 where: short stacking energy: -412.973 Base-Backbone interact. energy: -0.589 local terms energy: -625.289535 where: bonds (distance) C4'-P energy: -151.048 bonds (distance) P-C4' energy: -158.953 flat angles C4'-P-C4' energy: -144.943 flat angles P-C4'-P energy: -78.390 tors. eta vs tors. theta energy: -91.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -988.943014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.943014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.943014 (E_RNA) where: Base-Base interactions energy: -50.113 where: short stacking energy: -50.113 Base-Backbone interact. energy: -0.000 local terms energy: -938.830250 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.456 flat angles P-C4'-P energy: -202.798 tors. eta vs tors. theta energy: -108.674 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -989.195985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.195985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.195985 (E_RNA) where: Base-Base interactions energy: -50.366 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.000 local terms energy: -938.830250 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.456 flat angles P-C4'-P energy: -202.798 tors. eta vs tors. theta energy: -108.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -989.196176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.196176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.196176 (E_RNA) where: Base-Base interactions energy: -50.366 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.000 local terms energy: -938.830250 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.456 flat angles P-C4'-P energy: -202.798 tors. eta vs tors. theta energy: -108.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -988.945459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.945459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.945459 (E_RNA) where: Base-Base interactions energy: -50.366 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.000 local terms energy: -938.579339 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -202.836 tors. eta vs tors. theta energy: -108.674 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -988.945666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.945666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.945666 (E_RNA) where: Base-Base interactions energy: -50.366 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.000 local terms energy: -938.579339 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -202.836 tors. eta vs tors. theta energy: -108.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -988.810894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.810894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.810894 (E_RNA) where: Base-Base interactions energy: -50.366 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.000 local terms energy: -938.444365 where: bonds (distance) C4'-P energy: -234.534 bonds (distance) P-C4' energy: -215.368 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -202.701 tors. eta vs tors. theta energy: -108.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -989.829096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.829096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.829096 (E_RNA) where: Base-Base interactions energy: -54.493 where: short stacking energy: -54.493 Base-Backbone interact. energy: -0.000 local terms energy: -935.336287 where: bonds (distance) C4'-P energy: -233.333 bonds (distance) P-C4' energy: -212.864 flat angles C4'-P-C4' energy: -177.640 flat angles P-C4'-P energy: -201.975 tors. eta vs tors. theta energy: -109.525 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: 3 Temperature: 0.900000 Total energy: -1242.349857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.349857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.349857 (E_RNA) where: Base-Base interactions energy: -553.291 where: short stacking energy: -543.751 Base-Backbone interact. energy: -0.696 local terms energy: -688.363090 where: bonds (distance) C4'-P energy: -158.429 bonds (distance) P-C4' energy: -133.144 flat angles C4'-P-C4' energy: -163.805 flat angles P-C4'-P energy: -97.808 tors. eta vs tors. theta energy: -135.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1111.876501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.876501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.876501 (E_RNA) where: Base-Base interactions energy: -469.621 where: short stacking energy: -460.241 Base-Backbone interact. energy: -1.077 local terms energy: -641.178741 where: bonds (distance) C4'-P energy: -148.067 bonds (distance) P-C4' energy: -142.499 flat angles C4'-P-C4' energy: -154.071 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -100.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1041.588265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.588265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.588265 (E_RNA) where: Base-Base interactions energy: -409.197 where: short stacking energy: -396.625 Base-Backbone interact. energy: -3.064 local terms energy: -629.326726 where: bonds (distance) C4'-P energy: -133.041 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -157.802 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -94.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -986.709514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.709514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.709514 (E_RNA) where: Base-Base interactions energy: -394.471 where: short stacking energy: -393.955 Base-Backbone interact. energy: -1.352 local terms energy: -590.886618 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -151.529 flat angles C4'-P-C4' energy: -133.739 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -86.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -906.390477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.390477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.390477 (E_RNA) where: Base-Base interactions energy: -369.783 where: short stacking energy: -351.273 Base-Backbone interact. energy: 4.775 local terms energy: -541.382811 where: bonds (distance) C4'-P energy: -131.622 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -79.564 tors. eta vs tors. theta energy: -59.817 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -832.192941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.192941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.192941 (E_RNA) where: Base-Base interactions energy: -305.396 where: short stacking energy: -295.671 Base-Backbone interact. energy: 0.542 local terms energy: -527.338738 where: bonds (distance) C4'-P energy: -140.431 bonds (distance) P-C4' energy: -127.763 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -78.472 tors. eta vs tors. theta energy: -56.080 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: 3 Temperature: 1.200000 Total energy: -751.246380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.246380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.246380 (E_RNA) where: Base-Base interactions energy: -275.024 where: short stacking energy: -243.231 Base-Backbone interact. energy: 0.940 local terms energy: -477.161890 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -127.559 flat angles C4'-P-C4' energy: -121.348 flat angles P-C4'-P energy: -71.555 tors. eta vs tors. theta energy: -18.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -674.863589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.863589 (E_RNA) where: Base-Base interactions energy: -243.626 where: short stacking energy: -233.858 Base-Backbone interact. energy: -1.061 local terms energy: -430.176549 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -134.527 flat angles C4'-P-C4' energy: -113.860 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -16.856 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -653.701433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.701433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.701433 (E_RNA) where: Base-Base interactions energy: -264.341 where: short stacking energy: -232.133 Base-Backbone interact. energy: 7.229 local terms energy: -396.589596 where: bonds (distance) C4'-P energy: -105.323 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -108.091 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -17.575 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -621.864251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.864251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.864251 (E_RNA) where: Base-Base interactions energy: -201.399 where: short stacking energy: -183.687 Base-Backbone interact. energy: -1.381 local terms energy: -419.083831 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -123.870 flat angles C4'-P-C4' energy: -115.058 flat angles P-C4'-P energy: -76.904 tors. eta vs tors. theta energy: 24.254 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: 4 Temperature: 0.900000 Total energy: -1262.268983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.268983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.268983 (E_RNA) where: Base-Base interactions energy: -552.676 where: short stacking energy: -542.587 Base-Backbone interact. energy: -0.159 local terms energy: -709.433498 where: bonds (distance) C4'-P energy: -152.954 bonds (distance) P-C4' energy: -159.353 flat angles C4'-P-C4' energy: -162.260 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -134.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1262.733379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.733379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.733379 (E_RNA) where: Base-Base interactions energy: -588.441 where: short stacking energy: -510.475 Base-Backbone interact. energy: 4.233 local terms energy: -678.524953 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -150.136 flat angles C4'-P-C4' energy: -154.735 flat angles P-C4'-P energy: -100.734 tors. eta vs tors. theta energy: -131.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1097.550142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.550142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.550142 (E_RNA) where: Base-Base interactions energy: -502.160 where: short stacking energy: -425.951 Base-Backbone interact. energy: -0.582 local terms energy: -594.808136 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -137.264 flat angles P-C4'-P energy: -97.531 tors. eta vs tors. theta energy: -86.457 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1008.550426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.550426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.550426 (E_RNA) where: Base-Base interactions energy: -417.483 where: short stacking energy: -402.375 Base-Backbone interact. energy: 0.305 local terms energy: -591.373309 where: bonds (distance) C4'-P energy: -131.138 bonds (distance) P-C4' energy: -142.578 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -81.214 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -910.902953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.902953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.902953 (E_RNA) where: Base-Base interactions energy: -393.677 where: short stacking energy: -322.845 Base-Backbone interact. energy: 4.426 local terms energy: -521.651252 where: bonds (distance) C4'-P energy: -116.139 bonds (distance) P-C4' energy: -142.899 flat angles C4'-P-C4' energy: -134.738 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -47.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -838.563596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.563596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.563596 (E_RNA) where: Base-Base interactions energy: -333.804 where: short stacking energy: -292.477 Base-Backbone interact. energy: 7.488 local terms energy: -512.247357 where: bonds (distance) C4'-P energy: -136.490 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -127.422 flat angles P-C4'-P energy: -85.775 tors. eta vs tors. theta energy: -25.863 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: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -766.269160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.269160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.269160 (E_RNA) where: Base-Base interactions energy: -319.030 where: short stacking energy: -251.824 Base-Backbone interact. energy: -2.696 local terms energy: -444.543328 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -125.067 flat angles C4'-P-C4' energy: -115.227 flat angles P-C4'-P energy: -64.470 tors. eta vs tors. theta energy: -12.392 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -700.623039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.623039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.623039 (E_RNA) where: Base-Base interactions energy: -263.074 where: short stacking energy: -214.362 Base-Backbone interact. energy: -2.510 local terms energy: -435.038131 where: bonds (distance) C4'-P energy: -141.088 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -54.589 tors. eta vs tors. theta energy: -6.633 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: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -621.450558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.450558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.450558 (E_RNA) where: Base-Base interactions energy: -225.357 where: short stacking energy: -185.881 Base-Backbone interact. energy: 5.013 local terms energy: -401.106952 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -125.534 flat angles C4'-P-C4' energy: -103.343 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: 1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -576.547236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.547236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.547236 (E_RNA) where: Base-Base interactions energy: -203.304 where: short stacking energy: -179.901 Base-Backbone interact. energy: 1.040 local terms energy: -374.283230 where: bonds (distance) C4'-P energy: -121.904 bonds (distance) P-C4' energy: -124.295 flat angles C4'-P-C4' energy: -95.326 flat angles P-C4'-P energy: -59.199 tors. eta vs tors. theta energy: 26.440 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: 5 Temperature: 0.900000 Total energy: -1287.802954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.802954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.802954 (E_RNA) where: Base-Base interactions energy: -579.785 where: short stacking energy: -563.441 Base-Backbone interact. energy: -0.179 local terms energy: -707.839293 where: bonds (distance) C4'-P energy: -152.962 bonds (distance) P-C4' energy: -146.316 flat angles C4'-P-C4' energy: -165.176 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -136.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1256.778754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.778754 (E_RNA) where: Base-Base interactions energy: -585.930 where: short stacking energy: -469.740 Base-Backbone interact. energy: 0.714 local terms energy: -671.563428 where: bonds (distance) C4'-P energy: -151.015 bonds (distance) P-C4' energy: -158.384 flat angles C4'-P-C4' energy: -149.572 flat angles P-C4'-P energy: -103.859 tors. eta vs tors. theta energy: -108.733 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1163.476714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.476714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.476714 (E_RNA) where: Base-Base interactions energy: -552.201 where: short stacking energy: -441.764 Base-Backbone interact. energy: -1.556 local terms energy: -609.720664 where: bonds (distance) C4'-P energy: -127.363 bonds (distance) P-C4' energy: -149.226 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -81.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -975.865216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.865216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.865216 (E_RNA) where: Base-Base interactions energy: -400.991 where: short stacking energy: -364.711 Base-Backbone interact. energy: 0.566 local terms energy: -575.440305 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -158.254 flat angles C4'-P-C4' energy: -129.960 flat angles P-C4'-P energy: -95.329 tors. eta vs tors. theta energy: -54.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -962.296665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.296665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.296665 (E_RNA) where: Base-Base interactions energy: -416.359 where: short stacking energy: -343.348 Base-Backbone interact. energy: -3.820 local terms energy: -542.116801 where: bonds (distance) C4'-P energy: -146.949 bonds (distance) P-C4' energy: -133.650 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -56.272 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: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -877.179072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.179072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.179072 (E_RNA) where: Base-Base interactions energy: -394.606 where: short stacking energy: -301.090 Base-Backbone interact. energy: -0.372 local terms energy: -482.201046 where: bonds (distance) C4'-P energy: -98.248 bonds (distance) P-C4' energy: -139.971 flat angles C4'-P-C4' energy: -136.023 flat angles P-C4'-P energy: -89.514 tors. eta vs tors. theta energy: -18.445 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -746.699731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.699731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.699731 (E_RNA) where: Base-Base interactions energy: -295.849 where: short stacking energy: -266.828 Base-Backbone interact. energy: 1.177 local terms energy: -452.027413 where: bonds (distance) C4'-P energy: -129.199 bonds (distance) P-C4' energy: -115.637 flat angles C4'-P-C4' energy: -126.217 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -7.264 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: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -781.872726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.872726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.872726 (E_RNA) where: Base-Base interactions energy: -346.683 where: short stacking energy: -277.148 Base-Backbone interact. energy: -2.027 local terms energy: -433.162603 where: bonds (distance) C4'-P energy: -112.735 bonds (distance) P-C4' energy: -111.909 flat angles C4'-P-C4' energy: -129.256 flat angles P-C4'-P energy: -66.378 tors. eta vs tors. theta energy: -12.884 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: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -707.972512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.972512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.972512 (E_RNA) where: Base-Base interactions energy: -284.512 where: short stacking energy: -230.120 Base-Backbone interact. energy: 8.154 local terms energy: -431.614828 where: bonds (distance) C4'-P energy: -116.206 bonds (distance) P-C4' energy: -116.974 flat angles C4'-P-C4' energy: -118.130 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -554.576229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.576229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.576229 (E_RNA) where: Base-Base interactions energy: -158.873 where: short stacking energy: -133.079 Base-Backbone interact. energy: 0.321 local terms energy: -396.024543 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -106.607 flat angles C4'-P-C4' energy: -116.618 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: 26.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1397.433506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.433506 (E_RNA) where: Base-Base interactions energy: -661.794 where: short stacking energy: -562.509 Base-Backbone interact. energy: 1.824 local terms energy: -737.464026 where: bonds (distance) C4'-P energy: -150.937 bonds (distance) P-C4' energy: -164.611 flat angles C4'-P-C4' energy: -166.669 flat angles P-C4'-P energy: -105.011 tors. eta vs tors. theta energy: -150.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1235.403008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.403008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.403008 (E_RNA) where: Base-Base interactions energy: -564.608 where: short stacking energy: -504.128 Base-Backbone interact. energy: -0.909 local terms energy: -669.885889 where: bonds (distance) C4'-P energy: -147.933 bonds (distance) P-C4' energy: -140.076 flat angles C4'-P-C4' energy: -148.216 flat angles P-C4'-P energy: -102.651 tors. eta vs tors. theta energy: -131.009 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1181.782569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.782569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.782569 (E_RNA) where: Base-Base interactions energy: -582.256 where: short stacking energy: -444.282 Base-Backbone interact. energy: 0.672 local terms energy: -600.198172 where: bonds (distance) C4'-P energy: -147.540 bonds (distance) P-C4' energy: -152.682 flat angles C4'-P-C4' energy: -132.067 flat angles P-C4'-P energy: -86.968 tors. eta vs tors. theta energy: -80.941 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1094.471534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.471534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.471534 (E_RNA) where: Base-Base interactions energy: -528.310 where: short stacking energy: -419.919 Base-Backbone interact. energy: 4.410 local terms energy: -570.570718 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -137.318 flat angles P-C4'-P energy: -72.533 tors. eta vs tors. theta energy: -88.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -995.102732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.102732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.102732 (E_RNA) where: Base-Base interactions energy: -463.863 where: short stacking energy: -361.486 Base-Backbone interact. energy: -3.742 local terms energy: -527.497843 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -134.376 flat angles P-C4'-P energy: -84.247 tors. eta vs tors. theta energy: -51.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -893.202559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.202559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.202559 (E_RNA) where: Base-Base interactions energy: -374.927 where: short stacking energy: -286.333 Base-Backbone interact. energy: -0.100 local terms energy: -518.175804 where: bonds (distance) C4'-P energy: -122.510 bonds (distance) P-C4' energy: -131.428 flat angles C4'-P-C4' energy: -135.197 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -36.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -777.265241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.265241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.265241 (E_RNA) where: Base-Base interactions energy: -321.370 where: short stacking energy: -252.885 Base-Backbone interact. energy: -1.109 local terms energy: -454.785892 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -130.638 flat angles C4'-P-C4' energy: -114.945 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -23.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -711.817389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.817389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.817389 (E_RNA) where: Base-Base interactions energy: -292.810 where: short stacking energy: -224.120 Base-Backbone interact. energy: -1.176 local terms energy: -417.831771 where: bonds (distance) C4'-P energy: -132.150 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -99.302 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: 5.376 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -719.623851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.623851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.623851 (E_RNA) where: Base-Base interactions energy: -321.875 where: short stacking energy: -214.124 Base-Backbone interact. energy: 4.381 local terms energy: -402.129656 where: bonds (distance) C4'-P energy: -107.633 bonds (distance) P-C4' energy: -132.892 flat angles C4'-P-C4' energy: -105.959 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: 20.050 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -535.887693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.887693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.887693 (E_RNA) where: Base-Base interactions energy: -163.175 where: short stacking energy: -149.116 Base-Backbone interact. energy: 2.270 local terms energy: -374.982486 where: bonds (distance) C4'-P energy: -106.463 bonds (distance) P-C4' energy: -127.110 flat angles C4'-P-C4' energy: -120.782 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: 33.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1378.903108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.903108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.903108 (E_RNA) where: Base-Base interactions energy: -690.918 where: short stacking energy: -565.124 Base-Backbone interact. energy: -2.217 local terms energy: -685.768479 where: bonds (distance) C4'-P energy: -151.917 bonds (distance) P-C4' energy: -140.624 flat angles C4'-P-C4' energy: -148.518 flat angles P-C4'-P energy: -108.374 tors. eta vs tors. theta energy: -136.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1301.840964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.840964 (E_RNA) where: Base-Base interactions energy: -648.330 where: short stacking energy: -506.870 Base-Backbone interact. energy: 0.854 local terms energy: -654.364996 where: bonds (distance) C4'-P energy: -134.679 bonds (distance) P-C4' energy: -145.259 flat angles C4'-P-C4' energy: -148.837 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -118.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1228.397940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.397940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.397940 (E_RNA) where: Base-Base interactions energy: -598.617 where: short stacking energy: -431.560 Base-Backbone interact. energy: -1.273 local terms energy: -628.507971 where: bonds (distance) C4'-P energy: -147.854 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -153.704 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -96.875 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: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1057.577955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.577955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.577955 (E_RNA) where: Base-Base interactions energy: -478.525 where: short stacking energy: -365.457 Base-Backbone interact. energy: -1.541 local terms energy: -577.511754 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -139.596 flat angles C4'-P-C4' energy: -140.641 flat angles P-C4'-P energy: -99.054 tors. eta vs tors. theta energy: -67.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1116.881507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.881507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.881507 (E_RNA) where: Base-Base interactions energy: -563.312 where: short stacking energy: -361.741 Base-Backbone interact. energy: -2.501 local terms energy: -551.068192 where: bonds (distance) C4'-P energy: -135.881 bonds (distance) P-C4' energy: -142.796 flat angles C4'-P-C4' energy: -134.842 flat angles P-C4'-P energy: -78.507 tors. eta vs tors. theta energy: -59.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -924.800296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.800296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.800296 (E_RNA) where: Base-Base interactions energy: -399.543 where: short stacking energy: -316.156 Base-Backbone interact. energy: -0.343 local terms energy: -524.914265 where: bonds (distance) C4'-P energy: -127.604 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -125.720 flat angles P-C4'-P energy: -91.911 tors. eta vs tors. theta energy: -51.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -778.830011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.830011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.830011 (E_RNA) where: Base-Base interactions energy: -326.495 where: short stacking energy: -261.185 Base-Backbone interact. energy: -2.660 local terms energy: -449.675099 where: bonds (distance) C4'-P energy: -104.062 bonds (distance) P-C4' energy: -141.525 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -80.319 tors. eta vs tors. theta energy: -14.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -816.167869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.167869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.167869 (E_RNA) where: Base-Base interactions energy: -361.171 where: short stacking energy: -266.732 Base-Backbone interact. energy: -3.212 local terms energy: -451.785220 where: bonds (distance) C4'-P energy: -120.543 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -119.108 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: -12.762 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -710.498536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.498536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.498536 (E_RNA) where: Base-Base interactions energy: -293.926 where: short stacking energy: -197.771 Base-Backbone interact. energy: -0.384 local terms energy: -416.188411 where: bonds (distance) C4'-P energy: -124.397 bonds (distance) P-C4' energy: -118.341 flat angles C4'-P-C4' energy: -116.960 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: 3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -642.458677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.458677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.458677 (E_RNA) where: Base-Base interactions energy: -251.386 where: short stacking energy: -179.226 Base-Backbone interact. energy: 1.929 local terms energy: -393.000990 where: bonds (distance) C4'-P energy: -127.606 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: 30.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1370.274633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.274633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.274633 (E_RNA) where: Base-Base interactions energy: -683.094 where: short stacking energy: -533.464 Base-Backbone interact. energy: 0.413 local terms energy: -687.592868 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -155.437 flat angles P-C4'-P energy: -104.892 tors. eta vs tors. theta energy: -122.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1369.305276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.305276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.305276 (E_RNA) where: Base-Base interactions energy: -703.342 where: short stacking energy: -486.500 Base-Backbone interact. energy: -2.369 local terms energy: -663.594112 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -155.413 flat angles C4'-P-C4' energy: -151.352 flat angles P-C4'-P energy: -89.616 tors. eta vs tors. theta energy: -116.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1225.361510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.361510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.361510 (E_RNA) where: Base-Base interactions energy: -593.264 where: short stacking energy: -431.117 Base-Backbone interact. energy: 3.454 local terms energy: -635.551350 where: bonds (distance) C4'-P energy: -144.240 bonds (distance) P-C4' energy: -144.030 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -103.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1144.109033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.109033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.109033 (E_RNA) where: Base-Base interactions energy: -562.653 where: short stacking energy: -396.226 Base-Backbone interact. energy: 0.598 local terms energy: -582.053589 where: bonds (distance) C4'-P energy: -133.815 bonds (distance) P-C4' energy: -131.766 flat angles C4'-P-C4' energy: -137.856 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -91.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1107.714061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.714061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.714061 (E_RNA) where: Base-Base interactions energy: -574.148 where: short stacking energy: -330.874 Base-Backbone interact. energy: -1.558 local terms energy: -532.008775 where: bonds (distance) C4'-P energy: -137.047 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -133.725 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -46.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -962.746152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.746152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.746152 (E_RNA) where: Base-Base interactions energy: -481.163 where: short stacking energy: -324.916 Base-Backbone interact. energy: -5.732 local terms energy: -475.851240 where: bonds (distance) C4'-P energy: -112.342 bonds (distance) P-C4' energy: -137.757 flat angles C4'-P-C4' energy: -109.891 flat angles P-C4'-P energy: -85.816 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: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -900.233784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.233784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.233784 (E_RNA) where: Base-Base interactions energy: -417.242 where: short stacking energy: -277.162 Base-Backbone interact. energy: 2.440 local terms energy: -485.431099 where: bonds (distance) C4'-P energy: -121.485 bonds (distance) P-C4' energy: -147.588 flat angles C4'-P-C4' energy: -104.922 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -46.727 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: 8 Temperature: 1.250000 Total energy: -821.401623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.401623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.401623 (E_RNA) where: Base-Base interactions energy: -354.105 where: short stacking energy: -242.844 Base-Backbone interact. energy: -2.481 local terms energy: -464.815940 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -147.242 flat angles C4'-P-C4' energy: -105.519 flat angles P-C4'-P energy: -72.231 tors. eta vs tors. theta energy: -22.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -655.997585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.997585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.997585 (E_RNA) where: Base-Base interactions energy: -244.186 where: short stacking energy: -167.312 Base-Backbone interact. energy: 0.483 local terms energy: -412.294644 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -149.306 flat angles C4'-P-C4' energy: -128.077 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: 39.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -647.261154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.261154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.261154 (E_RNA) where: Base-Base interactions energy: -291.421 where: short stacking energy: -202.485 Base-Backbone interact. energy: -5.318 local terms energy: -350.521911 where: bonds (distance) C4'-P energy: -103.367 bonds (distance) P-C4' energy: -118.502 flat angles C4'-P-C4' energy: -88.532 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: 25.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1438.512738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.512738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.512738 (E_RNA) where: Base-Base interactions energy: -747.609 where: short stacking energy: -561.768 Base-Backbone interact. energy: -0.766 local terms energy: -690.137615 where: bonds (distance) C4'-P energy: -142.845 bonds (distance) P-C4' energy: -148.789 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -134.156 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1366.681970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.681970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.681970 (E_RNA) where: Base-Base interactions energy: -726.705 where: short stacking energy: -515.032 Base-Backbone interact. energy: -2.206 local terms energy: -637.771359 where: bonds (distance) C4'-P energy: -132.598 bonds (distance) P-C4' energy: -147.892 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -95.200 tors. eta vs tors. theta energy: -114.476 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1337.071569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.071569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.071569 (E_RNA) where: Base-Base interactions energy: -700.604 where: short stacking energy: -463.146 Base-Backbone interact. energy: -2.060 local terms energy: -634.407719 where: bonds (distance) C4'-P energy: -134.288 bonds (distance) P-C4' energy: -141.370 flat angles C4'-P-C4' energy: -156.790 flat angles P-C4'-P energy: -90.803 tors. eta vs tors. theta energy: -111.157 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: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1300.246712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.246712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.246712 (E_RNA) where: Base-Base interactions energy: -712.260 where: short stacking energy: -413.511 Base-Backbone interact. energy: -1.220 local terms energy: -586.766334 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -140.460 flat angles C4'-P-C4' energy: -136.044 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -91.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1098.416472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.416472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.416472 (E_RNA) where: Base-Base interactions energy: -551.624 where: short stacking energy: -373.032 Base-Backbone interact. energy: -1.182 local terms energy: -545.610563 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -124.488 flat angles C4'-P-C4' energy: -138.842 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -65.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1077.430780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.430780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.430780 (E_RNA) where: Base-Base interactions energy: -561.710 where: short stacking energy: -325.471 Base-Backbone interact. energy: -2.961 local terms energy: -512.760618 where: bonds (distance) C4'-P energy: -130.555 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -129.674 flat angles P-C4'-P energy: -73.742 tors. eta vs tors. theta energy: -38.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -908.944854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.944854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.944854 (E_RNA) where: Base-Base interactions energy: -428.985 where: short stacking energy: -299.214 Base-Backbone interact. energy: -1.369 local terms energy: -478.590973 where: bonds (distance) C4'-P energy: -117.996 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -116.096 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -37.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -816.378312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.378312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.378312 (E_RNA) where: Base-Base interactions energy: -364.308 where: short stacking energy: -222.758 Base-Backbone interact. energy: -0.355 local terms energy: -451.715168 where: bonds (distance) C4'-P energy: -98.902 bonds (distance) P-C4' energy: -135.678 flat angles C4'-P-C4' energy: -128.422 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -14.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -688.230901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.230901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.230901 (E_RNA) where: Base-Base interactions energy: -297.780 where: short stacking energy: -190.357 Base-Backbone interact. energy: 0.833 local terms energy: -391.284438 where: bonds (distance) C4'-P energy: -122.223 bonds (distance) P-C4' energy: -132.852 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: 22.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -586.247776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.247776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.247776 (E_RNA) where: Base-Base interactions energy: -226.466 where: short stacking energy: -169.790 Base-Backbone interact. energy: -0.958 local terms energy: -358.823615 where: bonds (distance) C4'-P energy: -105.204 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: 26.701 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1503.482332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.482332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.482332 (E_RNA) where: Base-Base interactions energy: -797.831 where: short stacking energy: -584.098 Base-Backbone interact. energy: -1.620 local terms energy: -704.031357 where: bonds (distance) C4'-P energy: -146.372 bonds (distance) P-C4' energy: -156.207 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -101.976 tors. eta vs tors. theta energy: -136.512 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: 10 Temperature: 0.950000 Total energy: -1413.119687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.119687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.119687 (E_RNA) where: Base-Base interactions energy: -773.993 where: short stacking energy: -515.063 Base-Backbone interact. energy: -2.954 local terms energy: -636.171954 where: bonds (distance) C4'-P energy: -137.217 bonds (distance) P-C4' energy: -146.580 flat angles C4'-P-C4' energy: -150.403 flat angles P-C4'-P energy: -98.025 tors. eta vs tors. theta energy: -103.947 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: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1424.730288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.730288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.730288 (E_RNA) where: Base-Base interactions energy: -768.741 where: short stacking energy: -494.800 Base-Backbone interact. energy: -1.405 local terms energy: -654.584130 where: bonds (distance) C4'-P energy: -133.228 bonds (distance) P-C4' energy: -157.043 flat angles C4'-P-C4' energy: -154.478 flat angles P-C4'-P energy: -97.959 tors. eta vs tors. theta energy: -111.877 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: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1295.686417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.686417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.686417 (E_RNA) where: Base-Base interactions energy: -687.267 where: short stacking energy: -437.384 Base-Backbone interact. energy: -0.083 local terms energy: -608.336440 where: bonds (distance) C4'-P energy: -142.615 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -134.058 flat angles P-C4'-P energy: -103.545 tors. eta vs tors. theta energy: -87.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1106.363201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.363201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.363201 (E_RNA) where: Base-Base interactions energy: -563.445 where: short stacking energy: -385.012 Base-Backbone interact. energy: 0.522 local terms energy: -543.439819 where: bonds (distance) C4'-P energy: -117.782 bonds (distance) P-C4' energy: -145.023 flat angles C4'-P-C4' energy: -122.549 flat angles P-C4'-P energy: -88.286 tors. eta vs tors. theta energy: -69.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1082.483536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.483536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.483536 (E_RNA) where: Base-Base interactions energy: -573.044 where: short stacking energy: -335.226 Base-Backbone interact. energy: 2.712 local terms energy: -512.150930 where: bonds (distance) C4'-P energy: -129.544 bonds (distance) P-C4' energy: -136.328 flat angles C4'-P-C4' energy: -130.146 flat angles P-C4'-P energy: -57.007 tors. eta vs tors. theta energy: -59.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -890.317812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.317812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.317812 (E_RNA) where: Base-Base interactions energy: -419.210 where: short stacking energy: -299.877 Base-Backbone interact. energy: -3.099 local terms energy: -468.009368 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -125.861 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -72.108 tors. eta vs tors. theta energy: -40.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -813.325151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.325151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.325151 (E_RNA) where: Base-Base interactions energy: -378.747 where: short stacking energy: -221.438 Base-Backbone interact. energy: 0.418 local terms energy: -434.996353 where: bonds (distance) C4'-P energy: -128.914 bonds (distance) P-C4' energy: -141.229 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -59.717 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -748.836642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.836642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.836642 (E_RNA) where: Base-Base interactions energy: -342.454 where: short stacking energy: -229.615 Base-Backbone interact. energy: 0.443 local terms energy: -406.825058 where: bonds (distance) C4'-P energy: -123.930 bonds (distance) P-C4' energy: -134.053 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -41.536 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -538.130704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.130704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.130704 (E_RNA) where: Base-Base interactions energy: -183.164 where: short stacking energy: -139.458 Base-Backbone interact. energy: -0.986 local terms energy: -353.980832 where: bonds (distance) C4'-P energy: -118.918 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -102.162 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: 43.481 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: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1559.399674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.399674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.399674 (E_RNA) where: Base-Base interactions energy: -847.852 where: short stacking energy: -585.568 Base-Backbone interact. energy: -2.530 local terms energy: -709.017405 where: bonds (distance) C4'-P energy: -144.876 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -174.646 flat angles P-C4'-P energy: -96.005 tors. eta vs tors. theta energy: -144.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1460.081314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.081314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.081314 (E_RNA) where: Base-Base interactions energy: -782.188 where: short stacking energy: -517.301 Base-Backbone interact. energy: -1.157 local terms energy: -676.736832 where: bonds (distance) C4'-P energy: -137.355 bonds (distance) P-C4' energy: -148.699 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -130.195 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: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1469.116085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.116085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.116085 (E_RNA) where: Base-Base interactions energy: -823.386 where: short stacking energy: -481.610 Base-Backbone interact. energy: -0.261 local terms energy: -645.468999 where: bonds (distance) C4'-P energy: -142.720 bonds (distance) P-C4' energy: -140.318 flat angles C4'-P-C4' energy: -154.255 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -118.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1302.859365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.859365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.859365 (E_RNA) where: Base-Base interactions energy: -709.015 where: short stacking energy: -420.231 Base-Backbone interact. energy: -1.992 local terms energy: -591.851989 where: bonds (distance) C4'-P energy: -135.445 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -141.145 flat angles P-C4'-P energy: -85.462 tors. eta vs tors. theta energy: -82.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1125.488877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.488877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.488877 (E_RNA) where: Base-Base interactions energy: -581.980 where: short stacking energy: -358.957 Base-Backbone interact. energy: -0.950 local terms energy: -542.558513 where: bonds (distance) C4'-P energy: -139.734 bonds (distance) P-C4' energy: -137.397 flat angles C4'-P-C4' energy: -126.164 flat angles P-C4'-P energy: -96.217 tors. eta vs tors. theta energy: -43.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1127.178004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.178004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.178004 (E_RNA) where: Base-Base interactions energy: -608.920 where: short stacking energy: -371.152 Base-Backbone interact. energy: 0.240 local terms energy: -518.498171 where: bonds (distance) C4'-P energy: -124.922 bonds (distance) P-C4' energy: -139.196 flat angles C4'-P-C4' energy: -124.774 flat angles P-C4'-P energy: -75.556 tors. eta vs tors. theta energy: -54.050 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -987.106271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.106271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.106271 (E_RNA) where: Base-Base interactions energy: -480.746 where: short stacking energy: -307.745 Base-Backbone interact. energy: 8.032 local terms energy: -514.392229 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -119.143 flat angles C4'-P-C4' energy: -151.349 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -32.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -802.979127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.979127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.979127 (E_RNA) where: Base-Base interactions energy: -360.114 where: short stacking energy: -206.258 Base-Backbone interact. energy: 2.855 local terms energy: -445.719871 where: bonds (distance) C4'-P energy: -127.589 bonds (distance) P-C4' energy: -113.132 flat angles C4'-P-C4' energy: -143.276 flat angles P-C4'-P energy: -74.445 tors. eta vs tors. theta energy: 12.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -715.393760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.393760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.393760 (E_RNA) where: Base-Base interactions energy: -302.998 where: short stacking energy: -201.642 Base-Backbone interact. energy: -3.166 local terms energy: -409.229188 where: bonds (distance) C4'-P energy: -108.869 bonds (distance) P-C4' energy: -130.213 flat angles C4'-P-C4' energy: -109.435 flat angles P-C4'-P energy: -69.813 tors. eta vs tors. theta energy: 9.100 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -639.194344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.194344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.194344 (E_RNA) where: Base-Base interactions energy: -250.954 where: short stacking energy: -178.924 Base-Backbone interact. energy: 1.321 local terms energy: -389.560883 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -117.641 flat angles C4'-P-C4' energy: -116.285 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: 9.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1595.372180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.372180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.372180 (E_RNA) where: Base-Base interactions energy: -904.874 where: short stacking energy: -581.785 Base-Backbone interact. energy: 6.188 local terms energy: -696.686811 where: bonds (distance) C4'-P energy: -155.105 bonds (distance) P-C4' energy: -146.509 flat angles C4'-P-C4' energy: -165.333 flat angles P-C4'-P energy: -101.442 tors. eta vs tors. theta energy: -128.298 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: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1557.405192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.405192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.405192 (E_RNA) where: Base-Base interactions energy: -856.295 where: short stacking energy: -544.963 Base-Backbone interact. energy: -1.416 local terms energy: -699.694549 where: bonds (distance) C4'-P energy: -159.976 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -157.357 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -130.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1573.969405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.969405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.969405 (E_RNA) where: Base-Base interactions energy: -927.345 where: short stacking energy: -505.304 Base-Backbone interact. energy: -1.476 local terms energy: -645.148291 where: bonds (distance) C4'-P energy: -136.726 bonds (distance) P-C4' energy: -146.710 flat angles C4'-P-C4' energy: -151.841 flat angles P-C4'-P energy: -88.212 tors. eta vs tors. theta energy: -121.659 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1257.639006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.639006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.639006 (E_RNA) where: Base-Base interactions energy: -646.091 where: short stacking energy: -386.895 Base-Backbone interact. energy: -0.302 local terms energy: -611.245847 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -148.063 flat angles C4'-P-C4' energy: -140.260 flat angles P-C4'-P energy: -100.971 tors. eta vs tors. theta energy: -75.338 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: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1227.496292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.496292 (E_RNA) where: Base-Base interactions energy: -642.939 where: short stacking energy: -383.424 Base-Backbone interact. energy: -1.795 local terms energy: -582.761868 where: bonds (distance) C4'-P energy: -145.122 bonds (distance) P-C4' energy: -134.915 flat angles C4'-P-C4' energy: -144.620 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -60.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1126.064739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.064739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.064739 (E_RNA) where: Base-Base interactions energy: -606.430 where: short stacking energy: -354.870 Base-Backbone interact. energy: 0.520 local terms energy: -520.154668 where: bonds (distance) C4'-P energy: -132.430 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -143.283 flat angles P-C4'-P energy: -85.882 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: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -951.356195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.356195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.356195 (E_RNA) where: Base-Base interactions energy: -500.127 where: short stacking energy: -305.002 Base-Backbone interact. energy: 0.881 local terms energy: -452.110492 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -46.440 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: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -881.942922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.942922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.942922 (E_RNA) where: Base-Base interactions energy: -441.659 where: short stacking energy: -282.763 Base-Backbone interact. energy: 2.706 local terms energy: -442.990629 where: bonds (distance) C4'-P energy: -124.638 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -105.276 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -723.260830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.260830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.260830 (E_RNA) where: Base-Base interactions energy: -331.251 where: short stacking energy: -194.402 Base-Backbone interact. energy: 3.853 local terms energy: -395.863235 where: bonds (distance) C4'-P energy: -122.653 bonds (distance) P-C4' energy: -117.239 flat angles C4'-P-C4' energy: -115.868 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: 5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -556.606146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.606146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.606146 (E_RNA) where: Base-Base interactions energy: -194.021 where: short stacking energy: -142.419 Base-Backbone interact. energy: 2.821 local terms energy: -365.406785 where: bonds (distance) C4'-P energy: -136.523 bonds (distance) P-C4' energy: -126.559 flat angles C4'-P-C4' energy: -86.072 flat angles P-C4'-P energy: -58.254 tors. eta vs tors. theta energy: 42.000 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: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1590.625609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.625609 (E_RNA) where: Base-Base interactions energy: -921.474 where: short stacking energy: -533.171 Base-Backbone interact. energy: -7.117 local terms energy: -662.034265 where: bonds (distance) C4'-P energy: -135.908 bonds (distance) P-C4' energy: -150.538 flat angles C4'-P-C4' energy: -152.390 flat angles P-C4'-P energy: -96.391 tors. eta vs tors. theta energy: -126.807 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: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1577.237007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.237007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.237007 (E_RNA) where: Base-Base interactions energy: -898.833 where: short stacking energy: -585.744 Base-Backbone interact. energy: -0.203 local terms energy: -678.201661 where: bonds (distance) C4'-P energy: -166.601 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -139.911 flat angles P-C4'-P energy: -82.767 tors. eta vs tors. theta energy: -144.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1603.777979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.777979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.777979 (E_RNA) where: Base-Base interactions energy: -968.189 where: short stacking energy: -511.147 Base-Backbone interact. energy: -2.089 local terms energy: -633.500573 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -137.498 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -80.591 tors. eta vs tors. theta energy: -115.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1342.448707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.448707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.448707 (E_RNA) where: Base-Base interactions energy: -729.319 where: short stacking energy: -394.439 Base-Backbone interact. energy: -3.565 local terms energy: -609.564816 where: bonds (distance) C4'-P energy: -129.302 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -153.894 flat angles P-C4'-P energy: -102.604 tors. eta vs tors. theta energy: -71.202 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: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1197.602463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.602463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.602463 (E_RNA) where: Base-Base interactions energy: -647.500 where: short stacking energy: -387.909 Base-Backbone interact. energy: -1.524 local terms energy: -548.579011 where: bonds (distance) C4'-P energy: -156.934 bonds (distance) P-C4' energy: -122.621 flat angles C4'-P-C4' energy: -133.198 flat angles P-C4'-P energy: -71.209 tors. eta vs tors. theta energy: -64.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1194.371207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.371207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.371207 (E_RNA) where: Base-Base interactions energy: -632.642 where: short stacking energy: -348.567 Base-Backbone interact. energy: 0.982 local terms energy: -562.711228 where: bonds (distance) C4'-P energy: -142.517 bonds (distance) P-C4' energy: -126.905 flat angles C4'-P-C4' energy: -140.852 flat angles P-C4'-P energy: -92.173 tors. eta vs tors. theta energy: -60.265 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: 13 Temperature: 1.200000 Total energy: -996.870271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.870271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.870271 (E_RNA) where: Base-Base interactions energy: -475.807 where: short stacking energy: -308.242 Base-Backbone interact. energy: 0.484 local terms energy: -521.548137 where: bonds (distance) C4'-P energy: -136.889 bonds (distance) P-C4' energy: -130.709 flat angles C4'-P-C4' energy: -121.962 flat angles P-C4'-P energy: -79.602 tors. eta vs tors. theta energy: -52.387 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: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -910.817098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.817098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.817098 (E_RNA) where: Base-Base interactions energy: -452.621 where: short stacking energy: -265.302 Base-Backbone interact. energy: 1.627 local terms energy: -459.823223 where: bonds (distance) C4'-P energy: -139.593 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -100.890 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -1.508 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -840.314161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.314161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.314161 (E_RNA) where: Base-Base interactions energy: -426.392 where: short stacking energy: -216.565 Base-Backbone interact. energy: -1.563 local terms energy: -412.359214 where: bonds (distance) C4'-P energy: -131.372 bonds (distance) P-C4' energy: -126.635 flat angles C4'-P-C4' energy: -108.949 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: 6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -591.990142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.990142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.990142 (E_RNA) where: Base-Base interactions energy: -225.972 where: short stacking energy: -153.305 Base-Backbone interact. energy: -3.140 local terms energy: -362.878342 where: bonds (distance) C4'-P energy: -129.515 bonds (distance) P-C4' energy: -131.163 flat angles C4'-P-C4' energy: -99.626 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: 38.112 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: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1724.522075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.522075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.522075 (E_RNA) where: Base-Base interactions energy: -999.492 where: short stacking energy: -623.734 Base-Backbone interact. energy: -0.317 local terms energy: -724.713483 where: bonds (distance) C4'-P energy: -145.415 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -149.134 flat angles P-C4'-P energy: -112.958 tors. eta vs tors. theta energy: -164.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1559.178692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.178692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.178692 (E_RNA) where: Base-Base interactions energy: -879.162 where: short stacking energy: -533.197 Base-Backbone interact. energy: -1.305 local terms energy: -678.711407 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -148.568 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -110.098 tors. eta vs tors. theta energy: -131.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1579.372136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.372136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.372136 (E_RNA) where: Base-Base interactions energy: -955.837 where: short stacking energy: -502.865 Base-Backbone interact. energy: -1.544 local terms energy: -621.991096 where: bonds (distance) C4'-P energy: -129.042 bonds (distance) P-C4' energy: -131.935 flat angles C4'-P-C4' energy: -148.985 flat angles P-C4'-P energy: -90.934 tors. eta vs tors. theta energy: -121.094 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: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1398.523717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.523717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.523717 (E_RNA) where: Base-Base interactions energy: -804.539 where: short stacking energy: -441.800 Base-Backbone interact. energy: 0.658 local terms energy: -594.642534 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -135.596 flat angles C4'-P-C4' energy: -147.256 flat angles P-C4'-P energy: -75.259 tors. eta vs tors. theta energy: -87.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1278.756817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.756817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.756817 (E_RNA) where: Base-Base interactions energy: -759.892 where: short stacking energy: -422.413 Base-Backbone interact. energy: 4.223 local terms energy: -523.088043 where: bonds (distance) C4'-P energy: -129.316 bonds (distance) P-C4' energy: -119.016 flat angles C4'-P-C4' energy: -129.008 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -84.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1242.775655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.775655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.775655 (E_RNA) where: Base-Base interactions energy: -704.793 where: short stacking energy: -373.123 Base-Backbone interact. energy: 4.152 local terms energy: -542.134306 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -137.590 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -70.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1007.815733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.815733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.815733 (E_RNA) where: Base-Base interactions energy: -516.186 where: short stacking energy: -311.361 Base-Backbone interact. energy: -1.672 local terms energy: -489.957973 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -131.452 flat angles C4'-P-C4' energy: -130.693 flat angles P-C4'-P energy: -72.302 tors. eta vs tors. theta energy: -35.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -822.584629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.584629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.584629 (E_RNA) where: Base-Base interactions energy: -363.079 where: short stacking energy: -231.943 Base-Backbone interact. energy: 2.627 local terms energy: -462.131887 where: bonds (distance) C4'-P energy: -138.362 bonds (distance) P-C4' energy: -140.001 flat angles C4'-P-C4' energy: -109.913 flat angles P-C4'-P energy: -73.316 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -778.563964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.563964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.563964 (E_RNA) where: Base-Base interactions energy: -365.496 where: short stacking energy: -253.447 Base-Backbone interact. energy: 0.304 local terms energy: -413.371510 where: bonds (distance) C4'-P energy: -110.488 bonds (distance) P-C4' energy: -133.656 flat angles C4'-P-C4' energy: -106.051 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -649.191209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.191209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.191209 (E_RNA) where: Base-Base interactions energy: -265.322 where: short stacking energy: -187.871 Base-Backbone interact. energy: -1.985 local terms energy: -381.883845 where: bonds (distance) C4'-P energy: -124.108 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -94.681 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: 6.701 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: 15 Temperature: 0.900000 Total energy: -1770.625459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.625459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.625459 (E_RNA) where: Base-Base interactions energy: -1043.250 where: short stacking energy: -609.578 Base-Backbone interact. energy: -1.051 local terms energy: -726.324095 where: bonds (distance) C4'-P energy: -144.300 bonds (distance) P-C4' energy: -166.016 flat angles C4'-P-C4' energy: -162.317 flat angles P-C4'-P energy: -94.588 tors. eta vs tors. theta energy: -159.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1698.818144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.818144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.818144 (E_RNA) where: Base-Base interactions energy: -1005.081 where: short stacking energy: -572.366 Base-Backbone interact. energy: -4.541 local terms energy: -689.195995 where: bonds (distance) C4'-P energy: -145.823 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -144.727 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -155.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1459.169720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.169720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.169720 (E_RNA) where: Base-Base interactions energy: -847.756 where: short stacking energy: -496.371 Base-Backbone interact. energy: -0.329 local terms energy: -611.085329 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -120.835 flat angles C4'-P-C4' energy: -152.016 flat angles P-C4'-P energy: -78.621 tors. eta vs tors. theta energy: -122.628 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: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1423.993838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.993838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.993838 (E_RNA) where: Base-Base interactions energy: -825.418 where: short stacking energy: -460.713 Base-Backbone interact. energy: 0.346 local terms energy: -598.921602 where: bonds (distance) C4'-P energy: -122.898 bonds (distance) P-C4' energy: -151.326 flat angles C4'-P-C4' energy: -138.907 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -109.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1399.054666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.054666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.054666 (E_RNA) where: Base-Base interactions energy: -828.754 where: short stacking energy: -436.091 Base-Backbone interact. energy: 0.073 local terms energy: -570.373240 where: bonds (distance) C4'-P energy: -130.917 bonds (distance) P-C4' energy: -137.257 flat angles C4'-P-C4' energy: -137.588 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -77.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1368.740034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.740034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.740034 (E_RNA) where: Base-Base interactions energy: -813.818 where: short stacking energy: -375.287 Base-Backbone interact. energy: 1.361 local terms energy: -556.282947 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -127.952 flat angles C4'-P-C4' energy: -147.479 flat angles P-C4'-P energy: -91.036 tors. eta vs tors. theta energy: -67.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1057.672245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.672245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.672245 (E_RNA) where: Base-Base interactions energy: -564.209 where: short stacking energy: -336.940 Base-Backbone interact. energy: -0.827 local terms energy: -492.635635 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -123.609 flat angles C4'-P-C4' energy: -124.876 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -43.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -893.954481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.954481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.954481 (E_RNA) where: Base-Base interactions energy: -450.675 where: short stacking energy: -264.286 Base-Backbone interact. energy: 1.039 local terms energy: -444.318974 where: bonds (distance) C4'-P energy: -139.223 bonds (distance) P-C4' energy: -124.677 flat angles C4'-P-C4' energy: -105.317 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -22.457 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: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -756.371500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.371500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.371500 (E_RNA) where: Base-Base interactions energy: -362.669 where: short stacking energy: -215.005 Base-Backbone interact. energy: 1.135 local terms energy: -394.837895 where: bonds (distance) C4'-P energy: -112.333 bonds (distance) P-C4' energy: -115.227 flat angles C4'-P-C4' energy: -104.580 flat angles P-C4'-P energy: -72.318 tors. eta vs tors. theta energy: 9.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -618.574095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.574095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.574095 (E_RNA) where: Base-Base interactions energy: -238.328 where: short stacking energy: -161.118 Base-Backbone interact. energy: 1.743 local terms energy: -381.989831 where: bonds (distance) C4'-P energy: -126.537 bonds (distance) P-C4' energy: -121.825 flat angles C4'-P-C4' energy: -95.831 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: 30.506 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: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1737.949120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.949120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.949120 (E_RNA) where: Base-Base interactions energy: -1034.228 where: short stacking energy: -609.354 Base-Backbone interact. energy: 0.011 local terms energy: -703.732287 where: bonds (distance) C4'-P energy: -156.342 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -141.643 flat angles P-C4'-P energy: -113.107 tors. eta vs tors. theta energy: -150.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1754.997885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.997885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.997885 (E_RNA) where: Base-Base interactions energy: -1050.666 where: short stacking energy: -574.371 Base-Backbone interact. energy: -2.548 local terms energy: -701.783767 where: bonds (distance) C4'-P energy: -147.543 bonds (distance) P-C4' energy: -140.041 flat angles C4'-P-C4' energy: -172.461 flat angles P-C4'-P energy: -88.250 tors. eta vs tors. theta energy: -153.489 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1461.955607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.955607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.955607 (E_RNA) where: Base-Base interactions energy: -777.453 where: short stacking energy: -478.506 Base-Backbone interact. energy: -2.098 local terms energy: -682.404928 where: bonds (distance) C4'-P energy: -142.144 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -106.120 tors. eta vs tors. theta energy: -124.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1381.490839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.490839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.490839 (E_RNA) where: Base-Base interactions energy: -773.291 where: short stacking energy: -418.895 Base-Backbone interact. energy: -0.972 local terms energy: -607.228576 where: bonds (distance) C4'-P energy: -145.153 bonds (distance) P-C4' energy: -154.987 flat angles C4'-P-C4' energy: -129.526 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -81.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1557.886266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.886266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.886266 (E_RNA) where: Base-Base interactions energy: -986.061 where: short stacking energy: -480.136 Base-Backbone interact. energy: -0.895 local terms energy: -570.930107 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -125.226 flat angles C4'-P-C4' energy: -131.725 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -84.734 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: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1296.501480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.501480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.501480 (E_RNA) where: Base-Base interactions energy: -769.550 where: short stacking energy: -393.452 Base-Backbone interact. energy: -3.058 local terms energy: -523.894255 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -135.726 flat angles C4'-P-C4' energy: -134.539 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -63.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1207.799444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.799444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.799444 (E_RNA) where: Base-Base interactions energy: -697.623 where: short stacking energy: -381.638 Base-Backbone interact. energy: 4.915 local terms energy: -515.090978 where: bonds (distance) C4'-P energy: -115.557 bonds (distance) P-C4' energy: -129.771 flat angles C4'-P-C4' energy: -120.459 flat angles P-C4'-P energy: -74.170 tors. eta vs tors. theta energy: -75.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -848.267496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.267496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.267496 (E_RNA) where: Base-Base interactions energy: -413.241 where: short stacking energy: -251.138 Base-Backbone interact. energy: -1.029 local terms energy: -433.998214 where: bonds (distance) C4'-P energy: -115.062 bonds (distance) P-C4' energy: -139.964 flat angles C4'-P-C4' energy: -112.511 flat angles P-C4'-P energy: -69.283 tors. eta vs tors. theta energy: 2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -824.570689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.570689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.570689 (E_RNA) where: Base-Base interactions energy: -404.844 where: short stacking energy: -230.076 Base-Backbone interact. energy: -5.013 local terms energy: -414.714265 where: bonds (distance) C4'-P energy: -131.654 bonds (distance) P-C4' energy: -103.974 flat angles C4'-P-C4' energy: -90.153 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -14.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -648.134310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.134310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.134310 (E_RNA) where: Base-Base interactions energy: -267.886 where: short stacking energy: -168.050 Base-Backbone interact. energy: 6.713 local terms energy: -386.961385 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -133.957 flat angles C4'-P-C4' energy: -99.159 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: 22.639 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: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1830.303645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.303645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.303645 (E_RNA) where: Base-Base interactions energy: -1080.565 where: short stacking energy: -630.193 Base-Backbone interact. energy: 1.533 local terms energy: -751.271146 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -148.962 flat angles C4'-P-C4' energy: -166.556 flat angles P-C4'-P energy: -118.047 tors. eta vs tors. theta energy: -170.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1789.046906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.046906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.046906 (E_RNA) where: Base-Base interactions energy: -1077.232 where: short stacking energy: -610.632 Base-Backbone interact. energy: -1.803 local terms energy: -710.011864 where: bonds (distance) C4'-P energy: -156.298 bonds (distance) P-C4' energy: -143.054 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -107.214 tors. eta vs tors. theta energy: -152.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1409.790160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.790160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.790160 (E_RNA) where: Base-Base interactions energy: -745.701 where: short stacking energy: -464.885 Base-Backbone interact. energy: -1.223 local terms energy: -662.866016 where: bonds (distance) C4'-P energy: -127.736 bonds (distance) P-C4' energy: -161.345 flat angles C4'-P-C4' energy: -148.405 flat angles P-C4'-P energy: -111.480 tors. eta vs tors. theta energy: -113.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1679.977836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.977836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.977836 (E_RNA) where: Base-Base interactions energy: -1028.754 where: short stacking energy: -485.245 Base-Backbone interact. energy: -1.063 local terms energy: -650.161029 where: bonds (distance) C4'-P energy: -141.401 bonds (distance) P-C4' energy: -153.733 flat angles C4'-P-C4' energy: -153.969 flat angles P-C4'-P energy: -78.807 tors. eta vs tors. theta energy: -122.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1305.992217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.992217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.992217 (E_RNA) where: Base-Base interactions energy: -710.165 where: short stacking energy: -417.886 Base-Backbone interact. energy: 1.104 local terms energy: -596.930950 where: bonds (distance) C4'-P energy: -126.582 bonds (distance) P-C4' energy: -132.254 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -89.446 tors. eta vs tors. theta energy: -94.322 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: 17 Temperature: 1.150000 Total energy: -1305.125741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.125741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.125741 (E_RNA) where: Base-Base interactions energy: -783.472 where: short stacking energy: -402.736 Base-Backbone interact. energy: -1.178 local terms energy: -520.476055 where: bonds (distance) C4'-P energy: -124.011 bonds (distance) P-C4' energy: -140.515 flat angles C4'-P-C4' energy: -123.715 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -62.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1190.463941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.463941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.463941 (E_RNA) where: Base-Base interactions energy: -653.867 where: short stacking energy: -367.581 Base-Backbone interact. energy: -1.268 local terms energy: -535.328914 where: bonds (distance) C4'-P energy: -123.173 bonds (distance) P-C4' energy: -118.108 flat angles C4'-P-C4' energy: -134.774 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -74.056 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: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -906.574722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.574722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.574722 (E_RNA) where: Base-Base interactions energy: -477.960 where: short stacking energy: -268.807 Base-Backbone interact. energy: -0.175 local terms energy: -428.439892 where: bonds (distance) C4'-P energy: -102.688 bonds (distance) P-C4' energy: -127.875 flat angles C4'-P-C4' energy: -121.039 flat angles P-C4'-P energy: -74.021 tors. eta vs tors. theta energy: -2.817 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: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -785.454512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.454512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.454512 (E_RNA) where: Base-Base interactions energy: -346.047 where: short stacking energy: -222.401 Base-Backbone interact. energy: 7.748 local terms energy: -447.155019 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -127.328 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -85.596 tors. eta vs tors. theta energy: 13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -660.165222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.165222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.165222 (E_RNA) where: Base-Base interactions energy: -282.996 where: short stacking energy: -183.729 Base-Backbone interact. energy: 12.400 local terms energy: -389.568986 where: bonds (distance) C4'-P energy: -120.314 bonds (distance) P-C4' energy: -120.929 flat angles C4'-P-C4' energy: -101.121 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: 12.125 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: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1834.913850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.913850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.913850 (E_RNA) where: Base-Base interactions energy: -1093.411 where: short stacking energy: -609.038 Base-Backbone interact. energy: 3.706 local terms energy: -745.208148 where: bonds (distance) C4'-P energy: -148.935 bonds (distance) P-C4' energy: -165.105 flat angles C4'-P-C4' energy: -171.238 flat angles P-C4'-P energy: -104.157 tors. eta vs tors. theta energy: -155.773 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: 18 Temperature: 0.950000 Total energy: -1665.107655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.107655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.107655 (E_RNA) where: Base-Base interactions energy: -965.130 where: short stacking energy: -551.941 Base-Backbone interact. energy: -1.409 local terms energy: -698.569232 where: bonds (distance) C4'-P energy: -141.998 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -160.628 flat angles P-C4'-P energy: -99.068 tors. eta vs tors. theta energy: -155.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1801.783272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.783272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.783272 (E_RNA) where: Base-Base interactions energy: -1148.361 where: short stacking energy: -579.089 Base-Backbone interact. energy: 1.067 local terms energy: -654.489692 where: bonds (distance) C4'-P energy: -144.478 bonds (distance) P-C4' energy: -139.072 flat angles C4'-P-C4' energy: -138.631 flat angles P-C4'-P energy: -83.871 tors. eta vs tors. theta energy: -148.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1425.574612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.574612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.574612 (E_RNA) where: Base-Base interactions energy: -834.643 where: short stacking energy: -480.832 Base-Backbone interact. energy: -0.843 local terms energy: -590.088601 where: bonds (distance) C4'-P energy: -132.717 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -131.836 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -104.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1439.383029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.383029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.383029 (E_RNA) where: Base-Base interactions energy: -881.878 where: short stacking energy: -433.282 Base-Backbone interact. energy: -2.079 local terms energy: -555.426524 where: bonds (distance) C4'-P energy: -132.337 bonds (distance) P-C4' energy: -136.700 flat angles C4'-P-C4' energy: -140.487 flat angles P-C4'-P energy: -70.810 tors. eta vs tors. theta energy: -75.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1165.230846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.230846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.230846 (E_RNA) where: Base-Base interactions energy: -648.182 where: short stacking energy: -369.624 Base-Backbone interact. energy: -4.197 local terms energy: -512.851845 where: bonds (distance) C4'-P energy: -123.079 bonds (distance) P-C4' energy: -135.037 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -54.842 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: 18 Temperature: 1.200000 Total energy: -1152.355106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.355106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.355106 (E_RNA) where: Base-Base interactions energy: -625.321 where: short stacking energy: -342.912 Base-Backbone interact. energy: 0.576 local terms energy: -527.609355 where: bonds (distance) C4'-P energy: -124.332 bonds (distance) P-C4' energy: -124.945 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -63.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1000.948354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.948354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.948354 (E_RNA) where: Base-Base interactions energy: -527.369 where: short stacking energy: -276.528 Base-Backbone interact. energy: 5.415 local terms energy: -478.994931 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -130.313 flat angles C4'-P-C4' energy: -118.171 flat angles P-C4'-P energy: -90.871 tors. eta vs tors. theta energy: -20.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -826.817433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.817433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.817433 (E_RNA) where: Base-Base interactions energy: -391.046 where: short stacking energy: -239.586 Base-Backbone interact. energy: 6.479 local terms energy: -442.250249 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -129.666 flat angles C4'-P-C4' energy: -99.492 flat angles P-C4'-P energy: -69.830 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -681.508062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.508062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.508062 (E_RNA) where: Base-Base interactions energy: -280.317 where: short stacking energy: -207.822 Base-Backbone interact. energy: 1.570 local terms energy: -402.760725 where: bonds (distance) C4'-P energy: -111.039 bonds (distance) P-C4' energy: -139.814 flat angles C4'-P-C4' energy: -106.515 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: 18.278 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: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1875.910939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.910939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.910939 (E_RNA) where: Base-Base interactions energy: -1127.109 where: short stacking energy: -628.544 Base-Backbone interact. energy: -1.457 local terms energy: -747.345013 where: bonds (distance) C4'-P energy: -158.922 bonds (distance) P-C4' energy: -162.416 flat angles C4'-P-C4' energy: -152.510 flat angles P-C4'-P energy: -103.017 tors. eta vs tors. theta energy: -170.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1925.880992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.880992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.880992 (E_RNA) where: Base-Base interactions energy: -1220.677 where: short stacking energy: -613.355 Base-Backbone interact. energy: 1.329 local terms energy: -706.533609 where: bonds (distance) C4'-P energy: -134.735 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -150.476 flat angles P-C4'-P energy: -115.612 tors. eta vs tors. theta energy: -163.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1612.302804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.302804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.302804 (E_RNA) where: Base-Base interactions energy: -952.941 where: short stacking energy: -522.462 Base-Backbone interact. energy: -0.538 local terms energy: -658.822902 where: bonds (distance) C4'-P energy: -143.711 bonds (distance) P-C4' energy: -163.285 flat angles C4'-P-C4' energy: -137.304 flat angles P-C4'-P energy: -94.018 tors. eta vs tors. theta energy: -120.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1528.139955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.139955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.139955 (E_RNA) where: Base-Base interactions energy: -912.666 where: short stacking energy: -485.365 Base-Backbone interact. energy: -0.289 local terms energy: -615.184435 where: bonds (distance) C4'-P energy: -143.071 bonds (distance) P-C4' energy: -150.266 flat angles C4'-P-C4' energy: -149.359 flat angles P-C4'-P energy: -85.507 tors. eta vs tors. theta energy: -86.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1301.130812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.130812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.130812 (E_RNA) where: Base-Base interactions energy: -708.374 where: short stacking energy: -386.404 Base-Backbone interact. energy: 3.496 local terms energy: -596.252613 where: bonds (distance) C4'-P energy: -140.127 bonds (distance) P-C4' energy: -133.702 flat angles C4'-P-C4' energy: -145.884 flat angles P-C4'-P energy: -82.081 tors. eta vs tors. theta energy: -94.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1219.562537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.562537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.562537 (E_RNA) where: Base-Base interactions energy: -676.361 where: short stacking energy: -386.013 Base-Backbone interact. energy: 0.271 local terms energy: -543.472672 where: bonds (distance) C4'-P energy: -126.556 bonds (distance) P-C4' energy: -134.027 flat angles C4'-P-C4' energy: -136.701 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -70.600 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: 19 Temperature: 1.200000 Total energy: -1011.210964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.210964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.210964 (E_RNA) where: Base-Base interactions energy: -507.505 where: short stacking energy: -297.463 Base-Backbone interact. energy: -0.951 local terms energy: -502.754997 where: bonds (distance) C4'-P energy: -126.551 bonds (distance) P-C4' energy: -123.952 flat angles C4'-P-C4' energy: -145.552 flat angles P-C4'-P energy: -80.162 tors. eta vs tors. theta energy: -26.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1051.578523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.578523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.578523 (E_RNA) where: Base-Base interactions energy: -605.763 where: short stacking energy: -307.624 Base-Backbone interact. energy: 3.975 local terms energy: -449.791054 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -111.154 flat angles C4'-P-C4' energy: -121.574 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -35.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -835.169983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.169983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.169983 (E_RNA) where: Base-Base interactions energy: -400.630 where: short stacking energy: -224.696 Base-Backbone interact. energy: 1.839 local terms energy: -436.379835 where: bonds (distance) C4'-P energy: -131.801 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -91.477 flat angles P-C4'-P energy: -69.704 tors. eta vs tors. theta energy: -10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -631.064554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.064554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.064554 (E_RNA) where: Base-Base interactions energy: -224.466 where: short stacking energy: -157.821 Base-Backbone interact. energy: -2.146 local terms energy: -404.452085 where: bonds (distance) C4'-P energy: -109.929 bonds (distance) P-C4' energy: -150.821 flat angles C4'-P-C4' energy: -101.728 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: 19.410 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: 20 Temperature: 0.900000 Total energy: -2023.469771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.469771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.469771 (E_RNA) where: Base-Base interactions energy: -1277.719 where: short stacking energy: -670.802 Base-Backbone interact. energy: -0.664 local terms energy: -745.086910 where: bonds (distance) C4'-P energy: -149.555 bonds (distance) P-C4' energy: -141.079 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -119.015 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: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1823.287852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.287852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.287852 (E_RNA) where: Base-Base interactions energy: -1134.285 where: short stacking energy: -597.608 Base-Backbone interact. energy: -1.975 local terms energy: -687.028124 where: bonds (distance) C4'-P energy: -151.741 bonds (distance) P-C4' energy: -147.523 flat angles C4'-P-C4' energy: -155.812 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -139.698 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: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1699.772669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.772669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.772669 (E_RNA) where: Base-Base interactions energy: -1029.144 where: short stacking energy: -545.207 Base-Backbone interact. energy: -1.640 local terms energy: -668.988766 where: bonds (distance) C4'-P energy: -142.140 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -155.417 flat angles P-C4'-P energy: -106.246 tors. eta vs tors. theta energy: -124.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1524.094778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.094778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.094778 (E_RNA) where: Base-Base interactions energy: -887.654 where: short stacking energy: -522.115 Base-Backbone interact. energy: -0.197 local terms energy: -636.244284 where: bonds (distance) C4'-P energy: -132.716 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -147.469 flat angles P-C4'-P energy: -86.705 tors. eta vs tors. theta energy: -133.602 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: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1257.921738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.921738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.921738 (E_RNA) where: Base-Base interactions energy: -672.021 where: short stacking energy: -346.899 Base-Backbone interact. energy: -2.685 local terms energy: -583.215174 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -145.657 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -68.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1230.474992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.474992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.474992 (E_RNA) where: Base-Base interactions energy: -694.859 where: short stacking energy: -387.703 Base-Backbone interact. energy: -0.298 local terms energy: -535.318082 where: bonds (distance) C4'-P energy: -121.038 bonds (distance) P-C4' energy: -127.932 flat angles C4'-P-C4' energy: -144.485 flat angles P-C4'-P energy: -84.916 tors. eta vs tors. theta energy: -56.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1075.379743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.379743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.379743 (E_RNA) where: Base-Base interactions energy: -568.435 where: short stacking energy: -319.691 Base-Backbone interact. energy: -1.081 local terms energy: -505.864267 where: bonds (distance) C4'-P energy: -142.661 bonds (distance) P-C4' energy: -127.494 flat angles C4'-P-C4' energy: -102.929 flat angles P-C4'-P energy: -90.224 tors. eta vs tors. theta energy: -42.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -910.591227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.591227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.591227 (E_RNA) where: Base-Base interactions energy: -437.092 where: short stacking energy: -242.172 Base-Backbone interact. energy: 8.604 local terms energy: -482.102539 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -133.524 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -5.214 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -847.209267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.209267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.209267 (E_RNA) where: Base-Base interactions energy: -397.896 where: short stacking energy: -234.168 Base-Backbone interact. energy: 5.026 local terms energy: -454.339287 where: bonds (distance) C4'-P energy: -140.431 bonds (distance) P-C4' energy: -133.583 flat angles C4'-P-C4' energy: -112.211 flat angles P-C4'-P energy: -63.098 tors. eta vs tors. theta energy: -5.016 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: 20 Temperature: 1.350000 Total energy: -673.206142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.206142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.206142 (E_RNA) where: Base-Base interactions energy: -280.169 where: short stacking energy: -209.348 Base-Backbone interact. energy: -0.483 local terms energy: -392.554279 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -115.853 flat angles C4'-P-C4' energy: -109.192 flat angles P-C4'-P energy: -68.522 tors. eta vs tors. theta energy: 5.525 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: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2061.995802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.995802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.995802 (E_RNA) where: Base-Base interactions energy: -1306.855 where: short stacking energy: -656.849 Base-Backbone interact. energy: -0.335 local terms energy: -754.805969 where: bonds (distance) C4'-P energy: -146.036 bonds (distance) P-C4' energy: -155.944 flat angles C4'-P-C4' energy: -169.374 flat angles P-C4'-P energy: -100.239 tors. eta vs tors. theta energy: -183.213 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: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1834.508145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.508145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.508145 (E_RNA) where: Base-Base interactions energy: -1149.373 where: short stacking energy: -563.735 Base-Backbone interact. energy: -1.803 local terms energy: -683.332040 where: bonds (distance) C4'-P energy: -137.983 bonds (distance) P-C4' energy: -144.243 flat angles C4'-P-C4' energy: -163.700 flat angles P-C4'-P energy: -95.339 tors. eta vs tors. theta energy: -142.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1713.453078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.453078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.453078 (E_RNA) where: Base-Base interactions energy: -1039.466 where: short stacking energy: -561.042 Base-Backbone interact. energy: -3.942 local terms energy: -670.045630 where: bonds (distance) C4'-P energy: -139.904 bonds (distance) P-C4' energy: -147.285 flat angles C4'-P-C4' energy: -142.519 flat angles P-C4'-P energy: -105.399 tors. eta vs tors. theta energy: -134.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1470.933235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.933235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.933235 (E_RNA) where: Base-Base interactions energy: -848.661 where: short stacking energy: -456.830 Base-Backbone interact. energy: 1.855 local terms energy: -624.127107 where: bonds (distance) C4'-P energy: -125.730 bonds (distance) P-C4' energy: -132.819 flat angles C4'-P-C4' energy: -149.316 flat angles P-C4'-P energy: -100.614 tors. eta vs tors. theta energy: -115.648 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1284.684094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.684094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.684094 (E_RNA) where: Base-Base interactions energy: -716.153 where: short stacking energy: -396.896 Base-Backbone interact. energy: 0.718 local terms energy: -569.249763 where: bonds (distance) C4'-P energy: -135.274 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -57.369 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: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1246.529783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.529783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.529783 (E_RNA) where: Base-Base interactions energy: -730.138 where: short stacking energy: -398.090 Base-Backbone interact. energy: -2.771 local terms energy: -513.619925 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -135.337 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -66.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1136.893302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.893302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.893302 (E_RNA) where: Base-Base interactions energy: -663.853 where: short stacking energy: -325.550 Base-Backbone interact. energy: -1.990 local terms energy: -471.050652 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -123.844 flat angles C4'-P-C4' energy: -119.029 flat angles P-C4'-P energy: -64.154 tors. eta vs tors. theta energy: -45.390 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: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -861.162946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.162946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.162946 (E_RNA) where: Base-Base interactions energy: -378.184 where: short stacking energy: -248.545 Base-Backbone interact. energy: -5.355 local terms energy: -477.623706 where: bonds (distance) C4'-P energy: -119.474 bonds (distance) P-C4' energy: -142.000 flat angles C4'-P-C4' energy: -116.463 flat angles P-C4'-P energy: -79.198 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -904.971423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.971423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.971423 (E_RNA) where: Base-Base interactions energy: -487.300 where: short stacking energy: -254.740 Base-Backbone interact. energy: 4.877 local terms energy: -422.548306 where: bonds (distance) C4'-P energy: -110.079 bonds (distance) P-C4' energy: -135.646 flat angles C4'-P-C4' energy: -124.683 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -652.488689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.488689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.488689 (E_RNA) where: Base-Base interactions energy: -270.819 where: short stacking energy: -189.747 Base-Backbone interact. energy: 1.035 local terms energy: -382.704338 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -116.120 flat angles P-C4'-P energy: -57.947 tors. eta vs tors. theta energy: 14.755 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: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2089.163428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.163428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.163428 (E_RNA) where: Base-Base interactions energy: -1341.595 where: short stacking energy: -668.912 Base-Backbone interact. energy: -4.080 local terms energy: -743.488767 where: bonds (distance) C4'-P energy: -153.510 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -156.600 flat angles P-C4'-P energy: -104.824 tors. eta vs tors. theta energy: -176.604 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: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1872.591715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.591715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.591715 (E_RNA) where: Base-Base interactions energy: -1182.789 where: short stacking energy: -570.357 Base-Backbone interact. energy: -2.707 local terms energy: -687.094971 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -149.262 flat angles C4'-P-C4' energy: -155.647 flat angles P-C4'-P energy: -95.417 tors. eta vs tors. theta energy: -150.278 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: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1703.455091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.455091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.455091 (E_RNA) where: Base-Base interactions energy: -1094.241 where: short stacking energy: -510.196 Base-Backbone interact. energy: 0.938 local terms energy: -610.152142 where: bonds (distance) C4'-P energy: -133.784 bonds (distance) P-C4' energy: -141.880 flat angles C4'-P-C4' energy: -124.548 flat angles P-C4'-P energy: -96.188 tors. eta vs tors. theta energy: -113.752 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: 22 Temperature: 1.050000 Total energy: -1469.505992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.505992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.505992 (E_RNA) where: Base-Base interactions energy: -840.348 where: short stacking energy: -478.181 Base-Backbone interact. energy: -0.589 local terms energy: -628.569042 where: bonds (distance) C4'-P energy: -144.803 bonds (distance) P-C4' energy: -125.980 flat angles C4'-P-C4' energy: -152.184 flat angles P-C4'-P energy: -87.097 tors. eta vs tors. theta energy: -118.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1350.895745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.895745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.895745 (E_RNA) where: Base-Base interactions energy: -762.410 where: short stacking energy: -398.000 Base-Backbone interact. energy: -2.063 local terms energy: -586.423084 where: bonds (distance) C4'-P energy: -132.797 bonds (distance) P-C4' energy: -130.496 flat angles C4'-P-C4' energy: -140.279 flat angles P-C4'-P energy: -104.176 tors. eta vs tors. theta energy: -78.676 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: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1288.571749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.571749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.571749 (E_RNA) where: Base-Base interactions energy: -734.270 where: short stacking energy: -406.853 Base-Backbone interact. energy: 1.756 local terms energy: -556.057199 where: bonds (distance) C4'-P energy: -115.678 bonds (distance) P-C4' energy: -135.717 flat angles C4'-P-C4' energy: -139.850 flat angles P-C4'-P energy: -90.189 tors. eta vs tors. theta energy: -74.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1181.777005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.777005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.777005 (E_RNA) where: Base-Base interactions energy: -682.933 where: short stacking energy: -304.800 Base-Backbone interact. energy: 1.749 local terms energy: -500.593112 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -134.747 flat angles C4'-P-C4' energy: -126.691 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -35.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -849.651811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.651811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.651811 (E_RNA) where: Base-Base interactions energy: -409.298 where: short stacking energy: -236.610 Base-Backbone interact. energy: -1.844 local terms energy: -438.509872 where: bonds (distance) C4'-P energy: -111.637 bonds (distance) P-C4' energy: -124.539 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -14.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1042.065758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.065758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.065758 (E_RNA) where: Base-Base interactions energy: -613.880 where: short stacking energy: -323.253 Base-Backbone interact. energy: 3.434 local terms energy: -431.619383 where: bonds (distance) C4'-P energy: -116.232 bonds (distance) P-C4' energy: -129.758 flat angles C4'-P-C4' energy: -105.326 flat angles P-C4'-P energy: -62.157 tors. eta vs tors. theta energy: -18.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -705.285528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.285528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.285528 (E_RNA) where: Base-Base interactions energy: -316.497 where: short stacking energy: -208.801 Base-Backbone interact. energy: 0.742 local terms energy: -389.530519 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -134.914 flat angles C4'-P-C4' energy: -79.717 flat angles P-C4'-P energy: -69.315 tors. eta vs tors. theta energy: 24.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2124.761382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.761382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.761382 (E_RNA) where: Base-Base interactions energy: -1396.438 where: short stacking energy: -671.077 Base-Backbone interact. energy: -2.486 local terms energy: -725.838148 where: bonds (distance) C4'-P energy: -143.761 bonds (distance) P-C4' energy: -155.124 flat angles C4'-P-C4' energy: -158.455 flat angles P-C4'-P energy: -91.782 tors. eta vs tors. theta energy: -176.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1883.693003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.693003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.693003 (E_RNA) where: Base-Base interactions energy: -1181.572 where: short stacking energy: -579.253 Base-Backbone interact. energy: -3.233 local terms energy: -698.888212 where: bonds (distance) C4'-P energy: -153.508 bonds (distance) P-C4' energy: -145.370 flat angles C4'-P-C4' energy: -150.760 flat angles P-C4'-P energy: -96.140 tors. eta vs tors. theta energy: -153.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1724.892561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.892561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.892561 (E_RNA) where: Base-Base interactions energy: -1101.197 where: short stacking energy: -527.279 Base-Backbone interact. energy: 1.770 local terms energy: -625.465461 where: bonds (distance) C4'-P energy: -140.203 bonds (distance) P-C4' energy: -147.685 flat angles C4'-P-C4' energy: -152.182 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -98.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1526.934121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.934121 (E_RNA) where: Base-Base interactions energy: -901.449 where: short stacking energy: -490.695 Base-Backbone interact. energy: 0.407 local terms energy: -625.892613 where: bonds (distance) C4'-P energy: -117.632 bonds (distance) P-C4' energy: -147.634 flat angles C4'-P-C4' energy: -146.790 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -125.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1439.287750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.287750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.287750 (E_RNA) where: Base-Base interactions energy: -836.461 where: short stacking energy: -470.012 Base-Backbone interact. energy: 2.326 local terms energy: -605.152474 where: bonds (distance) C4'-P energy: -131.104 bonds (distance) P-C4' energy: -147.710 flat angles C4'-P-C4' energy: -124.340 flat angles P-C4'-P energy: -89.652 tors. eta vs tors. theta energy: -112.346 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: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1226.010810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.010810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.010810 (E_RNA) where: Base-Base interactions energy: -679.427 where: short stacking energy: -372.446 Base-Backbone interact. energy: 1.168 local terms energy: -547.751246 where: bonds (distance) C4'-P energy: -136.419 bonds (distance) P-C4' energy: -129.828 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -74.830 tors. eta vs tors. theta energy: -72.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1188.584124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.584124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.584124 (E_RNA) where: Base-Base interactions energy: -688.245 where: short stacking energy: -361.206 Base-Backbone interact. energy: -3.344 local terms energy: -496.994551 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -42.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1135.302351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.302351 (E_RNA) where: Base-Base interactions energy: -654.199 where: short stacking energy: -313.489 Base-Backbone interact. energy: 0.407 local terms energy: -481.510248 where: bonds (distance) C4'-P energy: -114.855 bonds (distance) P-C4' energy: -124.614 flat angles C4'-P-C4' energy: -126.638 flat angles P-C4'-P energy: -65.362 tors. eta vs tors. theta energy: -50.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -814.983257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.983257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.983257 (E_RNA) where: Base-Base interactions energy: -414.848 where: short stacking energy: -235.070 Base-Backbone interact. energy: -0.210 local terms energy: -399.925258 where: bonds (distance) C4'-P energy: -124.641 bonds (distance) P-C4' energy: -106.141 flat angles C4'-P-C4' energy: -128.213 flat angles P-C4'-P energy: -37.497 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -697.754217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.754217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.754217 (E_RNA) where: Base-Base interactions energy: -315.481 where: short stacking energy: -188.699 Base-Backbone interact. energy: 0.455 local terms energy: -382.728381 where: bonds (distance) C4'-P energy: -99.210 bonds (distance) P-C4' energy: -143.796 flat angles C4'-P-C4' energy: -104.570 flat angles P-C4'-P energy: -39.702 tors. eta vs tors. theta energy: 4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2133.379072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.379072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.379072 (E_RNA) where: Base-Base interactions energy: -1386.308 where: short stacking energy: -665.771 Base-Backbone interact. energy: 0.165 local terms energy: -747.235912 where: bonds (distance) C4'-P energy: -155.097 bonds (distance) P-C4' energy: -157.011 flat angles C4'-P-C4' energy: -148.519 flat angles P-C4'-P energy: -98.779 tors. eta vs tors. theta energy: -187.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1910.853152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.853152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.853152 (E_RNA) where: Base-Base interactions energy: -1188.064 where: short stacking energy: -541.958 Base-Backbone interact. energy: -3.043 local terms energy: -719.746342 where: bonds (distance) C4'-P energy: -157.252 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -155.663 flat angles P-C4'-P energy: -112.894 tors. eta vs tors. theta energy: -142.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1719.731609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.731609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.731609 (E_RNA) where: Base-Base interactions energy: -1067.996 where: short stacking energy: -499.062 Base-Backbone interact. energy: 1.237 local terms energy: -652.972268 where: bonds (distance) C4'-P energy: -127.974 bonds (distance) P-C4' energy: -145.247 flat angles C4'-P-C4' energy: -153.273 flat angles P-C4'-P energy: -96.711 tors. eta vs tors. theta energy: -129.768 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: 24 Temperature: 1.050000 Total energy: -1567.660142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.660142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.660142 (E_RNA) where: Base-Base interactions energy: -930.250 where: short stacking energy: -515.255 Base-Backbone interact. energy: -0.918 local terms energy: -636.492257 where: bonds (distance) C4'-P energy: -129.209 bonds (distance) P-C4' energy: -141.390 flat angles C4'-P-C4' energy: -154.171 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -119.144 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: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1516.918507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.918507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.918507 (E_RNA) where: Base-Base interactions energy: -916.162 where: short stacking energy: -448.645 Base-Backbone interact. energy: 0.110 local terms energy: -600.866559 where: bonds (distance) C4'-P energy: -134.038 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -141.573 flat angles P-C4'-P energy: -95.494 tors. eta vs tors. theta energy: -90.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1250.114625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.114625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.114625 (E_RNA) where: Base-Base interactions energy: -695.364 where: short stacking energy: -400.789 Base-Backbone interact. energy: -0.024 local terms energy: -554.727218 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -122.638 flat angles P-C4'-P energy: -88.167 tors. eta vs tors. theta energy: -81.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1146.815958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.815958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.815958 (E_RNA) where: Base-Base interactions energy: -627.504 where: short stacking energy: -334.780 Base-Backbone interact. energy: 0.463 local terms energy: -519.775434 where: bonds (distance) C4'-P energy: -138.457 bonds (distance) P-C4' energy: -132.293 flat angles C4'-P-C4' energy: -123.645 flat angles P-C4'-P energy: -75.991 tors. eta vs tors. theta energy: -49.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1149.395587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.395587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.395587 (E_RNA) where: Base-Base interactions energy: -662.084 where: short stacking energy: -320.741 Base-Backbone interact. energy: 0.367 local terms energy: -487.678347 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -128.906 flat angles C4'-P-C4' energy: -116.783 flat angles P-C4'-P energy: -78.684 tors. eta vs tors. theta energy: -43.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -756.562791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.562791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.562791 (E_RNA) where: Base-Base interactions energy: -364.794 where: short stacking energy: -178.135 Base-Backbone interact. energy: -0.828 local terms energy: -390.941375 where: bonds (distance) C4'-P energy: -118.981 bonds (distance) P-C4' energy: -121.885 flat angles C4'-P-C4' energy: -97.831 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: 1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -694.978571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.978571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.978571 (E_RNA) where: Base-Base interactions energy: -349.774 where: short stacking energy: -224.668 Base-Backbone interact. energy: 1.781 local terms energy: -346.984990 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -113.309 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: 17.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2171.670247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.670247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.670247 (E_RNA) where: Base-Base interactions energy: -1421.672 where: short stacking energy: -668.937 Base-Backbone interact. energy: -2.172 local terms energy: -747.826428 where: bonds (distance) C4'-P energy: -153.304 bonds (distance) P-C4' energy: -161.756 flat angles C4'-P-C4' energy: -153.147 flat angles P-C4'-P energy: -95.999 tors. eta vs tors. theta energy: -183.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1957.350812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.350812 (E_RNA) where: Base-Base interactions energy: -1250.947 where: short stacking energy: -593.453 Base-Backbone interact. energy: -1.295 local terms energy: -705.108701 where: bonds (distance) C4'-P energy: -157.988 bonds (distance) P-C4' energy: -145.648 flat angles C4'-P-C4' energy: -157.469 flat angles P-C4'-P energy: -85.939 tors. eta vs tors. theta energy: -158.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1797.838537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.838537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.838537 (E_RNA) where: Base-Base interactions energy: -1114.358 where: short stacking energy: -561.827 Base-Backbone interact. energy: -2.036 local terms energy: -681.444641 where: bonds (distance) C4'-P energy: -132.944 bonds (distance) P-C4' energy: -150.643 flat angles C4'-P-C4' energy: -150.680 flat angles P-C4'-P energy: -102.243 tors. eta vs tors. theta energy: -144.935 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: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1596.696787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.696787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.696787 (E_RNA) where: Base-Base interactions energy: -958.021 where: short stacking energy: -508.269 Base-Backbone interact. energy: -1.550 local terms energy: -637.125190 where: bonds (distance) C4'-P energy: -142.625 bonds (distance) P-C4' energy: -150.516 flat angles C4'-P-C4' energy: -147.583 flat angles P-C4'-P energy: -87.690 tors. eta vs tors. theta energy: -108.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1459.900542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.900542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.900542 (E_RNA) where: Base-Base interactions energy: -850.252 where: short stacking energy: -475.267 Base-Backbone interact. energy: 0.556 local terms energy: -610.204287 where: bonds (distance) C4'-P energy: -116.451 bonds (distance) P-C4' energy: -145.523 flat angles C4'-P-C4' energy: -143.521 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -117.181 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: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1264.287732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.287732 (E_RNA) where: Base-Base interactions energy: -759.918 where: short stacking energy: -359.751 Base-Backbone interact. energy: -0.369 local terms energy: -504.000180 where: bonds (distance) C4'-P energy: -131.094 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -133.274 flat angles P-C4'-P energy: -73.394 tors. eta vs tors. theta energy: -41.874 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: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1175.513560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.513560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.513560 (E_RNA) where: Base-Base interactions energy: -685.425 where: short stacking energy: -339.142 Base-Backbone interact. energy: 8.095 local terms energy: -498.183389 where: bonds (distance) C4'-P energy: -125.944 bonds (distance) P-C4' energy: -149.448 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -46.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1074.663389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.663389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.663389 (E_RNA) where: Base-Base interactions energy: -634.106 where: short stacking energy: -315.789 Base-Backbone interact. energy: 0.224 local terms energy: -440.782224 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -73.508 tors. eta vs tors. theta energy: -19.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -747.199417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.199417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.199417 (E_RNA) where: Base-Base interactions energy: -368.208 where: short stacking energy: -214.613 Base-Backbone interact. energy: 3.245 local terms energy: -382.237069 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -118.885 flat angles C4'-P-C4' energy: -105.819 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: 21.572 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: 10, replica: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -713.854199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.854199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.854199 (E_RNA) where: Base-Base interactions energy: -319.331 where: short stacking energy: -205.779 Base-Backbone interact. energy: -0.541 local terms energy: -393.982276 where: bonds (distance) C4'-P energy: -119.484 bonds (distance) P-C4' energy: -129.616 flat angles C4'-P-C4' energy: -100.765 flat angles P-C4'-P energy: -57.869 tors. eta vs tors. theta energy: 13.752 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: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2183.168093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.168093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.168093 (E_RNA) where: Base-Base interactions energy: -1427.595 where: short stacking energy: -671.664 Base-Backbone interact. energy: -3.707 local terms energy: -751.865807 where: bonds (distance) C4'-P energy: -151.208 bonds (distance) P-C4' energy: -149.773 flat angles C4'-P-C4' energy: -160.767 flat angles P-C4'-P energy: -98.587 tors. eta vs tors. theta energy: -191.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1992.417933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.417933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.417933 (E_RNA) where: Base-Base interactions energy: -1284.363 where: short stacking energy: -605.344 Base-Backbone interact. energy: -2.757 local terms energy: -705.297909 where: bonds (distance) C4'-P energy: -136.760 bonds (distance) P-C4' energy: -146.359 flat angles C4'-P-C4' energy: -157.036 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -159.263 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: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1822.559384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.559384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.559384 (E_RNA) where: Base-Base interactions energy: -1151.075 where: short stacking energy: -532.671 Base-Backbone interact. energy: -0.192 local terms energy: -671.292003 where: bonds (distance) C4'-P energy: -137.910 bonds (distance) P-C4' energy: -149.203 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -101.193 tors. eta vs tors. theta energy: -132.360 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: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1659.854793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.854793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.854793 (E_RNA) where: Base-Base interactions energy: -1002.906 where: short stacking energy: -504.894 Base-Backbone interact. energy: -1.536 local terms energy: -655.412684 where: bonds (distance) C4'-P energy: -134.825 bonds (distance) P-C4' energy: -135.003 flat angles C4'-P-C4' energy: -165.777 flat angles P-C4'-P energy: -100.866 tors. eta vs tors. theta energy: -118.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1446.982819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.982819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.982819 (E_RNA) where: Base-Base interactions energy: -885.129 where: short stacking energy: -474.423 Base-Backbone interact. energy: -2.737 local terms energy: -559.117130 where: bonds (distance) C4'-P energy: -120.610 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -134.014 flat angles P-C4'-P energy: -69.310 tors. eta vs tors. theta energy: -104.329 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: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1283.416931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.416931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.416931 (E_RNA) where: Base-Base interactions energy: -738.388 where: short stacking energy: -378.510 Base-Backbone interact. energy: 0.785 local terms energy: -545.813756 where: bonds (distance) C4'-P energy: -124.754 bonds (distance) P-C4' energy: -121.035 flat angles C4'-P-C4' energy: -137.194 flat angles P-C4'-P energy: -88.300 tors. eta vs tors. theta energy: -74.531 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: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1271.859643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.859643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.859643 (E_RNA) where: Base-Base interactions energy: -760.030 where: short stacking energy: -370.790 Base-Backbone interact. energy: -2.001 local terms energy: -509.827758 where: bonds (distance) C4'-P energy: -129.524 bonds (distance) P-C4' energy: -126.071 flat angles C4'-P-C4' energy: -115.739 flat angles P-C4'-P energy: -84.112 tors. eta vs tors. theta energy: -54.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1042.528066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.528066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.528066 (E_RNA) where: Base-Base interactions energy: -579.593 where: short stacking energy: -305.268 Base-Backbone interact. energy: 8.493 local terms energy: -471.427834 where: bonds (distance) C4'-P energy: -107.920 bonds (distance) P-C4' energy: -141.789 flat angles C4'-P-C4' energy: -113.615 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -18.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -759.273836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.273836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.273836 (E_RNA) where: Base-Base interactions energy: -363.508 where: short stacking energy: -214.825 Base-Backbone interact. energy: -2.082 local terms energy: -393.684236 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -141.997 flat angles C4'-P-C4' energy: -80.101 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: 3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -644.858744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.858744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.858744 (E_RNA) where: Base-Base interactions energy: -282.288 where: short stacking energy: -160.084 Base-Backbone interact. energy: 11.399 local terms energy: -373.969114 where: bonds (distance) C4'-P energy: -122.189 bonds (distance) P-C4' energy: -124.873 flat angles C4'-P-C4' energy: -107.388 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: 36.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2157.134037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.134037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.134037 (E_RNA) where: Base-Base interactions energy: -1397.549 where: short stacking energy: -652.021 Base-Backbone interact. energy: 0.191 local terms energy: -759.775981 where: bonds (distance) C4'-P energy: -155.578 bonds (distance) P-C4' energy: -145.893 flat angles C4'-P-C4' energy: -167.483 flat angles P-C4'-P energy: -115.249 tors. eta vs tors. theta energy: -175.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1978.447289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.447289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.447289 (E_RNA) where: Base-Base interactions energy: -1289.067 where: short stacking energy: -607.960 Base-Backbone interact. energy: 0.458 local terms energy: -689.838361 where: bonds (distance) C4'-P energy: -123.663 bonds (distance) P-C4' energy: -152.706 flat angles C4'-P-C4' energy: -165.176 flat angles P-C4'-P energy: -95.826 tors. eta vs tors. theta energy: -152.467 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1830.593773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.593773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.593773 (E_RNA) where: Base-Base interactions energy: -1167.753 where: short stacking energy: -559.509 Base-Backbone interact. energy: 0.102 local terms energy: -662.942225 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -138.599 flat angles C4'-P-C4' energy: -146.797 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -151.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1700.265353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.265353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.265353 (E_RNA) where: Base-Base interactions energy: -1043.118 where: short stacking energy: -516.776 Base-Backbone interact. energy: 3.509 local terms energy: -660.655769 where: bonds (distance) C4'-P energy: -146.216 bonds (distance) P-C4' energy: -148.193 flat angles C4'-P-C4' energy: -159.037 flat angles P-C4'-P energy: -91.113 tors. eta vs tors. theta energy: -116.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1463.982438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.982438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.982438 (E_RNA) where: Base-Base interactions energy: -861.082 where: short stacking energy: -445.007 Base-Backbone interact. energy: -1.839 local terms energy: -601.061821 where: bonds (distance) C4'-P energy: -130.644 bonds (distance) P-C4' energy: -145.275 flat angles C4'-P-C4' energy: -140.360 flat angles P-C4'-P energy: -91.481 tors. eta vs tors. theta energy: -93.302 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: 27 Temperature: 1.150000 Total energy: -1334.799219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.799219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.799219 (E_RNA) where: Base-Base interactions energy: -778.305 where: short stacking energy: -412.833 Base-Backbone interact. energy: -1.105 local terms energy: -555.389139 where: bonds (distance) C4'-P energy: -132.170 bonds (distance) P-C4' energy: -131.230 flat angles C4'-P-C4' energy: -140.045 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -74.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1311.192600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.192600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.192600 (E_RNA) where: Base-Base interactions energy: -816.651 where: short stacking energy: -381.094 Base-Backbone interact. energy: 1.112 local terms energy: -495.653335 where: bonds (distance) C4'-P energy: -124.938 bonds (distance) P-C4' energy: -133.080 flat angles C4'-P-C4' energy: -127.319 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: -56.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1136.213815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.213815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.213815 (E_RNA) where: Base-Base interactions energy: -608.251 where: short stacking energy: -316.263 Base-Backbone interact. energy: -2.656 local terms energy: -525.307298 where: bonds (distance) C4'-P energy: -128.623 bonds (distance) P-C4' energy: -149.467 flat angles C4'-P-C4' energy: -130.775 flat angles P-C4'-P energy: -55.498 tors. eta vs tors. theta energy: -60.945 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: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -730.942709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.942709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.942709 (E_RNA) where: Base-Base interactions energy: -331.146 where: short stacking energy: -218.886 Base-Backbone interact. energy: -2.911 local terms energy: -396.885102 where: bonds (distance) C4'-P energy: -94.133 bonds (distance) P-C4' energy: -147.301 flat angles C4'-P-C4' energy: -105.723 flat angles P-C4'-P energy: -64.178 tors. eta vs tors. theta energy: 14.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -638.164409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.164409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.164409 (E_RNA) where: Base-Base interactions energy: -281.462 where: short stacking energy: -216.833 Base-Backbone interact. energy: 3.309 local terms energy: -360.011760 where: bonds (distance) C4'-P energy: -97.792 bonds (distance) P-C4' energy: -108.339 flat angles C4'-P-C4' energy: -100.200 flat angles P-C4'-P energy: -58.484 tors. eta vs tors. theta energy: 4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2175.398700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.398700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.398700 (E_RNA) where: Base-Base interactions energy: -1457.223 where: short stacking energy: -652.740 Base-Backbone interact. energy: -0.614 local terms energy: -717.561937 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -154.937 flat angles C4'-P-C4' energy: -159.500 flat angles P-C4'-P energy: -79.583 tors. eta vs tors. theta energy: -180.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2020.120034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.120034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.120034 (E_RNA) where: Base-Base interactions energy: -1305.862 where: short stacking energy: -588.036 Base-Backbone interact. energy: -3.492 local terms energy: -710.765908 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -141.590 flat angles C4'-P-C4' energy: -163.143 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -167.069 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: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1851.768362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.768362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.768362 (E_RNA) where: Base-Base interactions energy: -1192.287 where: short stacking energy: -569.204 Base-Backbone interact. energy: -2.517 local terms energy: -656.965069 where: bonds (distance) C4'-P energy: -141.900 bonds (distance) P-C4' energy: -112.849 flat angles C4'-P-C4' energy: -156.418 flat angles P-C4'-P energy: -92.604 tors. eta vs tors. theta energy: -153.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1662.869414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.869414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.869414 (E_RNA) where: Base-Base interactions energy: -1060.213 where: short stacking energy: -482.621 Base-Backbone interact. energy: -3.201 local terms energy: -599.455545 where: bonds (distance) C4'-P energy: -138.986 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -150.256 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -106.547 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: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1480.205574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.205574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.205574 (E_RNA) where: Base-Base interactions energy: -894.721 where: short stacking energy: -460.650 Base-Backbone interact. energy: 1.055 local terms energy: -586.539674 where: bonds (distance) C4'-P energy: -133.983 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -137.373 flat angles P-C4'-P energy: -86.169 tors. eta vs tors. theta energy: -90.184 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: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1338.444408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.444408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.444408 (E_RNA) where: Base-Base interactions energy: -780.846 where: short stacking energy: -402.072 Base-Backbone interact. energy: -0.900 local terms energy: -556.698640 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -122.221 flat angles C4'-P-C4' energy: -134.614 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -85.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1357.115974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.115974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.115974 (E_RNA) where: Base-Base interactions energy: -832.487 where: short stacking energy: -402.626 Base-Backbone interact. energy: -2.906 local terms energy: -521.723798 where: bonds (distance) C4'-P energy: -114.727 bonds (distance) P-C4' energy: -121.662 flat angles C4'-P-C4' energy: -118.831 flat angles P-C4'-P energy: -90.403 tors. eta vs tors. theta energy: -76.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1162.755162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.755162 (E_RNA) where: Base-Base interactions energy: -669.340 where: short stacking energy: -305.184 Base-Backbone interact. energy: -6.445 local terms energy: -486.969423 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -115.467 flat angles P-C4'-P energy: -81.378 tors. eta vs tors. theta energy: -43.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -742.065258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.065258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.065258 (E_RNA) where: Base-Base interactions energy: -325.116 where: short stacking energy: -190.034 Base-Backbone interact. energy: -4.409 local terms energy: -412.540413 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -117.273 flat angles C4'-P-C4' energy: -118.707 flat angles P-C4'-P energy: -56.537 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -638.806074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.806074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.806074 (E_RNA) where: Base-Base interactions energy: -286.635 where: short stacking energy: -193.181 Base-Backbone interact. energy: -0.535 local terms energy: -351.636309 where: bonds (distance) C4'-P energy: -112.572 bonds (distance) P-C4' energy: -125.272 flat angles C4'-P-C4' energy: -91.651 flat angles P-C4'-P energy: -46.281 tors. eta vs tors. theta energy: 24.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2201.744174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.744174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.744174 (E_RNA) where: Base-Base interactions energy: -1423.472 where: short stacking energy: -635.299 Base-Backbone interact. energy: 0.714 local terms energy: -778.986226 where: bonds (distance) C4'-P energy: -142.701 bonds (distance) P-C4' energy: -161.855 flat angles C4'-P-C4' energy: -167.109 flat angles P-C4'-P energy: -118.803 tors. eta vs tors. theta energy: -188.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2026.471472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.471472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.471472 (E_RNA) where: Base-Base interactions energy: -1320.400 where: short stacking energy: -590.523 Base-Backbone interact. energy: -1.542 local terms energy: -704.529560 where: bonds (distance) C4'-P energy: -155.105 bonds (distance) P-C4' energy: -142.426 flat angles C4'-P-C4' energy: -149.277 flat angles P-C4'-P energy: -101.798 tors. eta vs tors. theta energy: -155.922 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: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1879.681002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.681002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.681002 (E_RNA) where: Base-Base interactions energy: -1203.222 where: short stacking energy: -564.973 Base-Backbone interact. energy: -2.972 local terms energy: -673.486941 where: bonds (distance) C4'-P energy: -141.866 bonds (distance) P-C4' energy: -144.676 flat angles C4'-P-C4' energy: -144.335 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -143.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1673.832407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.832407 (E_RNA) where: Base-Base interactions energy: -1055.269 where: short stacking energy: -517.944 Base-Backbone interact. energy: -1.276 local terms energy: -617.287814 where: bonds (distance) C4'-P energy: -126.219 bonds (distance) P-C4' energy: -154.696 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -83.299 tors. eta vs tors. theta energy: -103.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1577.087181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.087181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.087181 (E_RNA) where: Base-Base interactions energy: -933.231 where: short stacking energy: -474.110 Base-Backbone interact. energy: -1.023 local terms energy: -642.833272 where: bonds (distance) C4'-P energy: -140.159 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -144.708 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -122.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1372.333839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.333839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.333839 (E_RNA) where: Base-Base interactions energy: -824.380 where: short stacking energy: -398.943 Base-Backbone interact. energy: 3.919 local terms energy: -551.872471 where: bonds (distance) C4'-P energy: -124.403 bonds (distance) P-C4' energy: -133.037 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -91.275 tors. eta vs tors. theta energy: -66.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1297.080594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.080594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.080594 (E_RNA) where: Base-Base interactions energy: -729.261 where: short stacking energy: -366.384 Base-Backbone interact. energy: 0.561 local terms energy: -568.380079 where: bonds (distance) C4'-P energy: -137.660 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -129.372 flat angles P-C4'-P energy: -83.004 tors. eta vs tors. theta energy: -80.470 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: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1240.077190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.077190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.077190 (E_RNA) where: Base-Base interactions energy: -733.597 where: short stacking energy: -355.046 Base-Backbone interact. energy: 3.102 local terms energy: -509.583103 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -146.907 flat angles C4'-P-C4' energy: -118.181 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -53.514 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: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -709.139528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.139528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.139528 (E_RNA) where: Base-Base interactions energy: -302.921 where: short stacking energy: -208.461 Base-Backbone interact. energy: 2.515 local terms energy: -408.733619 where: bonds (distance) C4'-P energy: -114.905 bonds (distance) P-C4' energy: -141.076 flat angles C4'-P-C4' energy: -82.839 flat angles P-C4'-P energy: -67.140 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -652.009446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.009446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.009446 (E_RNA) where: Base-Base interactions energy: -280.415 where: short stacking energy: -189.842 Base-Backbone interact. energy: 1.725 local terms energy: -373.319911 where: bonds (distance) C4'-P energy: -112.822 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -90.496 flat angles P-C4'-P energy: -56.839 tors. eta vs tors. theta energy: 20.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2181.773683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.773683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.773683 (E_RNA) where: Base-Base interactions energy: -1433.878 where: short stacking energy: -660.939 Base-Backbone interact. energy: -3.899 local terms energy: -743.996045 where: bonds (distance) C4'-P energy: -157.413 bonds (distance) P-C4' energy: -140.173 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -106.052 tors. eta vs tors. theta energy: -184.329 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: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1969.441194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.441194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.441194 (E_RNA) where: Base-Base interactions energy: -1303.821 where: short stacking energy: -604.185 Base-Backbone interact. energy: -3.312 local terms energy: -662.308287 where: bonds (distance) C4'-P energy: -135.479 bonds (distance) P-C4' energy: -154.942 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -143.126 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: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1899.480898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.480898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.480898 (E_RNA) where: Base-Base interactions energy: -1245.754 where: short stacking energy: -552.015 Base-Backbone interact. energy: -3.131 local terms energy: -650.595632 where: bonds (distance) C4'-P energy: -145.077 bonds (distance) P-C4' energy: -133.002 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -133.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1735.338318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.338318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.338318 (E_RNA) where: Base-Base interactions energy: -1123.523 where: short stacking energy: -553.135 Base-Backbone interact. energy: -1.668 local terms energy: -610.146366 where: bonds (distance) C4'-P energy: -143.797 bonds (distance) P-C4' energy: -110.539 flat angles C4'-P-C4' energy: -150.137 flat angles P-C4'-P energy: -80.526 tors. eta vs tors. theta energy: -125.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1585.195480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.195480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.195480 (E_RNA) where: Base-Base interactions energy: -999.922 where: short stacking energy: -463.260 Base-Backbone interact. energy: 2.701 local terms energy: -587.974953 where: bonds (distance) C4'-P energy: -121.905 bonds (distance) P-C4' energy: -137.858 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -85.701 tors. eta vs tors. theta energy: -112.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1451.592113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.592113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.592113 (E_RNA) where: Base-Base interactions energy: -896.270 where: short stacking energy: -416.307 Base-Backbone interact. energy: -0.236 local terms energy: -555.086377 where: bonds (distance) C4'-P energy: -142.147 bonds (distance) P-C4' energy: -128.662 flat angles C4'-P-C4' energy: -136.213 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -77.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1238.150644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.150644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.150644 (E_RNA) where: Base-Base interactions energy: -717.606 where: short stacking energy: -367.524 Base-Backbone interact. energy: 4.499 local terms energy: -525.044205 where: bonds (distance) C4'-P energy: -117.812 bonds (distance) P-C4' energy: -133.069 flat angles C4'-P-C4' energy: -129.001 flat angles P-C4'-P energy: -73.407 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: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1193.898485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.898485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.898485 (E_RNA) where: Base-Base interactions energy: -705.312 where: short stacking energy: -352.555 Base-Backbone interact. energy: 1.557 local terms energy: -490.143517 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -118.959 flat angles C4'-P-C4' energy: -113.716 flat angles P-C4'-P energy: -85.353 tors. eta vs tors. theta energy: -60.794 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: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -728.793122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.793122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.793122 (E_RNA) where: Base-Base interactions energy: -305.745 where: short stacking energy: -212.997 Base-Backbone interact. energy: -0.078 local terms energy: -422.969897 where: bonds (distance) C4'-P energy: -110.841 bonds (distance) P-C4' energy: -113.213 flat angles C4'-P-C4' energy: -110.164 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -648.024251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.024251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.024251 (E_RNA) where: Base-Base interactions energy: -256.546 where: short stacking energy: -179.243 Base-Backbone interact. energy: 5.610 local terms energy: -397.088739 where: bonds (distance) C4'-P energy: -124.855 bonds (distance) P-C4' energy: -125.251 flat angles C4'-P-C4' energy: -109.950 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: 17.688 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: 31 Temperature: 0.900000 Total energy: -2180.421081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.421081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.421081 (E_RNA) where: Base-Base interactions energy: -1444.994 where: short stacking energy: -650.644 Base-Backbone interact. energy: -4.754 local terms energy: -730.673881 where: bonds (distance) C4'-P energy: -160.574 bonds (distance) P-C4' energy: -138.465 flat angles C4'-P-C4' energy: -164.875 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -175.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1958.071743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.071743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.071743 (E_RNA) where: Base-Base interactions energy: -1276.460 where: short stacking energy: -556.095 Base-Backbone interact. energy: -3.532 local terms energy: -678.080549 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -141.153 flat angles P-C4'-P energy: -105.500 tors. eta vs tors. theta energy: -146.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1920.038045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.038045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.038045 (E_RNA) where: Base-Base interactions energy: -1257.689 where: short stacking energy: -552.969 Base-Backbone interact. energy: 1.350 local terms energy: -663.699634 where: bonds (distance) C4'-P energy: -146.183 bonds (distance) P-C4' energy: -146.668 flat angles C4'-P-C4' energy: -139.430 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -134.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1738.688830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.688830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.688830 (E_RNA) where: Base-Base interactions energy: -1102.051 where: short stacking energy: -528.844 Base-Backbone interact. energy: 0.961 local terms energy: -637.599105 where: bonds (distance) C4'-P energy: -136.546 bonds (distance) P-C4' energy: -141.341 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -112.780 tors. eta vs tors. theta energy: -114.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1635.630677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.630677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.630677 (E_RNA) where: Base-Base interactions energy: -998.318 where: short stacking energy: -491.003 Base-Backbone interact. energy: -0.692 local terms energy: -636.620455 where: bonds (distance) C4'-P energy: -126.707 bonds (distance) P-C4' energy: -143.130 flat angles C4'-P-C4' energy: -144.530 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -119.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1445.915488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.915488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.915488 (E_RNA) where: Base-Base interactions energy: -919.556 where: short stacking energy: -428.113 Base-Backbone interact. energy: -0.284 local terms energy: -526.075465 where: bonds (distance) C4'-P energy: -137.924 bonds (distance) P-C4' energy: -122.099 flat angles C4'-P-C4' energy: -116.372 flat angles P-C4'-P energy: -76.442 tors. eta vs tors. theta energy: -73.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1322.862548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.862548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.862548 (E_RNA) where: Base-Base interactions energy: -761.339 where: short stacking energy: -364.017 Base-Backbone interact. energy: -2.745 local terms energy: -558.778244 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -129.004 flat angles C4'-P-C4' energy: -139.757 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -70.088 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: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1244.210545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.210545 (E_RNA) where: Base-Base interactions energy: -720.592 where: short stacking energy: -329.071 Base-Backbone interact. energy: 3.532 local terms energy: -527.150709 where: bonds (distance) C4'-P energy: -112.164 bonds (distance) P-C4' energy: -143.326 flat angles C4'-P-C4' energy: -127.611 flat angles P-C4'-P energy: -80.172 tors. eta vs tors. theta energy: -63.878 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: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -735.932735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.932735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.932735 (E_RNA) where: Base-Base interactions energy: -325.495 where: short stacking energy: -216.984 Base-Backbone interact. energy: -2.168 local terms energy: -408.269508 where: bonds (distance) C4'-P energy: -101.040 bonds (distance) P-C4' energy: -117.655 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -587.096025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.096025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.096025 (E_RNA) where: Base-Base interactions energy: -229.062 where: short stacking energy: -169.301 Base-Backbone interact. energy: -2.282 local terms energy: -355.752657 where: bonds (distance) C4'-P energy: -121.158 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -93.812 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: 16.201 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: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2220.449133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.449133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.449133 (E_RNA) where: Base-Base interactions energy: -1450.914 where: short stacking energy: -656.193 Base-Backbone interact. energy: -2.175 local terms energy: -767.360337 where: bonds (distance) C4'-P energy: -155.663 bonds (distance) P-C4' energy: -166.154 flat angles C4'-P-C4' energy: -152.404 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -186.331 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2081.486367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.486367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.486367 (E_RNA) where: Base-Base interactions energy: -1361.342 where: short stacking energy: -606.532 Base-Backbone interact. energy: -5.314 local terms energy: -714.830690 where: bonds (distance) C4'-P energy: -138.496 bonds (distance) P-C4' energy: -148.033 flat angles C4'-P-C4' energy: -159.388 flat angles P-C4'-P energy: -106.040 tors. eta vs tors. theta energy: -162.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1913.147965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.147965 (E_RNA) where: Base-Base interactions energy: -1272.473 where: short stacking energy: -563.542 Base-Backbone interact. energy: -2.616 local terms energy: -638.058225 where: bonds (distance) C4'-P energy: -139.594 bonds (distance) P-C4' energy: -137.476 flat angles C4'-P-C4' energy: -152.980 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -134.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1705.599775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.599775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.599775 (E_RNA) where: Base-Base interactions energy: -1065.697 where: short stacking energy: -485.695 Base-Backbone interact. energy: -3.529 local terms energy: -636.373870 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -139.381 flat angles C4'-P-C4' energy: -163.705 flat angles P-C4'-P energy: -85.213 tors. eta vs tors. theta energy: -104.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1635.267409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.267409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.267409 (E_RNA) where: Base-Base interactions energy: -1005.552 where: short stacking energy: -496.001 Base-Backbone interact. energy: 2.398 local terms energy: -632.113744 where: bonds (distance) C4'-P energy: -123.906 bonds (distance) P-C4' energy: -153.575 flat angles C4'-P-C4' energy: -132.232 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -130.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1452.976851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.976851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.976851 (E_RNA) where: Base-Base interactions energy: -885.720 where: short stacking energy: -393.574 Base-Backbone interact. energy: 3.332 local terms energy: -570.588781 where: bonds (distance) C4'-P energy: -121.246 bonds (distance) P-C4' energy: -145.290 flat angles C4'-P-C4' energy: -116.718 flat angles P-C4'-P energy: -90.069 tors. eta vs tors. theta energy: -97.265 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: 32 Temperature: 1.200000 Total energy: -1299.011832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.011832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.011832 (E_RNA) where: Base-Base interactions energy: -768.937 where: short stacking energy: -390.745 Base-Backbone interact. energy: 3.854 local terms energy: -533.928483 where: bonds (distance) C4'-P energy: -129.760 bonds (distance) P-C4' energy: -137.685 flat angles C4'-P-C4' energy: -133.414 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: -74.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1197.943228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.943228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.943228 (E_RNA) where: Base-Base interactions energy: -717.645 where: short stacking energy: -341.948 Base-Backbone interact. energy: 4.232 local terms energy: -484.530583 where: bonds (distance) C4'-P energy: -117.637 bonds (distance) P-C4' energy: -128.081 flat angles C4'-P-C4' energy: -124.055 flat angles P-C4'-P energy: -62.604 tors. eta vs tors. theta energy: -52.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -769.303867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.303867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.303867 (E_RNA) where: Base-Base interactions energy: -368.736 where: short stacking energy: -227.459 Base-Backbone interact. energy: -0.336 local terms energy: -400.231096 where: bonds (distance) C4'-P energy: -123.628 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -96.720 flat angles P-C4'-P energy: -59.185 tors. eta vs tors. theta energy: -3.887 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: 32 Temperature: 1.350000 Total energy: -577.733306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.733306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.733306 (E_RNA) where: Base-Base interactions energy: -223.978 where: short stacking energy: -167.676 Base-Backbone interact. energy: -1.032 local terms energy: -352.723496 where: bonds (distance) C4'-P energy: -115.274 bonds (distance) P-C4' energy: -122.194 flat angles C4'-P-C4' energy: -94.926 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: 47.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2236.336407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.336407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.336407 (E_RNA) where: Base-Base interactions energy: -1497.547 where: short stacking energy: -624.940 Base-Backbone interact. energy: -3.722 local terms energy: -735.067282 where: bonds (distance) C4'-P energy: -147.869 bonds (distance) P-C4' energy: -139.720 flat angles C4'-P-C4' energy: -172.314 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -176.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2060.083923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.083923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.083923 (E_RNA) where: Base-Base interactions energy: -1382.108 where: short stacking energy: -604.804 Base-Backbone interact. energy: -2.054 local terms energy: -675.921773 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -140.884 flat angles C4'-P-C4' energy: -136.540 flat angles P-C4'-P energy: -92.923 tors. eta vs tors. theta energy: -169.243 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: 33 Temperature: 1.000000 Total energy: -1927.412702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.412702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.412702 (E_RNA) where: Base-Base interactions energy: -1248.419 where: short stacking energy: -554.805 Base-Backbone interact. energy: -1.472 local terms energy: -677.521512 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -151.249 flat angles C4'-P-C4' energy: -143.775 flat angles P-C4'-P energy: -110.080 tors. eta vs tors. theta energy: -137.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1726.060369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.060369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.060369 (E_RNA) where: Base-Base interactions energy: -1047.497 where: short stacking energy: -529.863 Base-Backbone interact. energy: -2.647 local terms energy: -675.916787 where: bonds (distance) C4'-P energy: -149.433 bonds (distance) P-C4' energy: -147.421 flat angles C4'-P-C4' energy: -168.052 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -135.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1590.238535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.238535 (E_RNA) where: Base-Base interactions energy: -1027.951 where: short stacking energy: -482.916 Base-Backbone interact. energy: -1.878 local terms energy: -560.409671 where: bonds (distance) C4'-P energy: -143.405 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -118.962 flat angles P-C4'-P energy: -79.703 tors. eta vs tors. theta energy: -93.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1390.747455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.747455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.747455 (E_RNA) where: Base-Base interactions energy: -831.836 where: short stacking energy: -422.877 Base-Backbone interact. energy: 0.916 local terms energy: -559.828098 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -144.612 flat angles C4'-P-C4' energy: -121.867 flat angles P-C4'-P energy: -79.714 tors. eta vs tors. theta energy: -87.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1337.247935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.247935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.247935 (E_RNA) where: Base-Base interactions energy: -837.269 where: short stacking energy: -414.061 Base-Backbone interact. energy: 1.394 local terms energy: -501.373627 where: bonds (distance) C4'-P energy: -107.243 bonds (distance) P-C4' energy: -130.850 flat angles C4'-P-C4' energy: -121.693 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -66.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1218.475323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.475323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.475323 (E_RNA) where: Base-Base interactions energy: -706.182 where: short stacking energy: -321.454 Base-Backbone interact. energy: -0.921 local terms energy: -511.372292 where: bonds (distance) C4'-P energy: -124.346 bonds (distance) P-C4' energy: -135.725 flat angles C4'-P-C4' energy: -126.006 flat angles P-C4'-P energy: -85.066 tors. eta vs tors. theta energy: -40.230 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: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -786.456379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.456379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.456379 (E_RNA) where: Base-Base interactions energy: -349.371 where: short stacking energy: -217.821 Base-Backbone interact. energy: -1.479 local terms energy: -435.607080 where: bonds (distance) C4'-P energy: -107.579 bonds (distance) P-C4' energy: -140.239 flat angles C4'-P-C4' energy: -129.382 flat angles P-C4'-P energy: -59.919 tors. eta vs tors. theta energy: 1.512 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: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -587.399332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.399332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.399332 (E_RNA) where: Base-Base interactions energy: -225.257 where: short stacking energy: -153.550 Base-Backbone interact. energy: 0.215 local terms energy: -362.357559 where: bonds (distance) C4'-P energy: -116.916 bonds (distance) P-C4' energy: -142.208 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -44.056 tors. eta vs tors. theta energy: 41.991 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: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2269.887965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.887965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.887965 (E_RNA) where: Base-Base interactions energy: -1525.944 where: short stacking energy: -671.387 Base-Backbone interact. energy: -1.676 local terms energy: -742.267400 where: bonds (distance) C4'-P energy: -128.900 bonds (distance) P-C4' energy: -146.666 flat angles C4'-P-C4' energy: -175.909 flat angles P-C4'-P energy: -113.961 tors. eta vs tors. theta energy: -176.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2092.537091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.537091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.537091 (E_RNA) where: Base-Base interactions energy: -1381.446 where: short stacking energy: -583.484 Base-Backbone interact. energy: -1.322 local terms energy: -709.768704 where: bonds (distance) C4'-P energy: -144.743 bonds (distance) P-C4' energy: -157.917 flat angles C4'-P-C4' energy: -148.320 flat angles P-C4'-P energy: -96.343 tors. eta vs tors. theta energy: -162.445 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1947.208906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.208906 (E_RNA) where: Base-Base interactions energy: -1277.661 where: short stacking energy: -570.745 Base-Backbone interact. energy: -0.444 local terms energy: -669.104673 where: bonds (distance) C4'-P energy: -132.017 bonds (distance) P-C4' energy: -149.272 flat angles C4'-P-C4' energy: -149.948 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: -145.214 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: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1797.273761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.273761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.273761 (E_RNA) where: Base-Base interactions energy: -1132.215 where: short stacking energy: -544.834 Base-Backbone interact. energy: -1.630 local terms energy: -663.429082 where: bonds (distance) C4'-P energy: -108.846 bonds (distance) P-C4' energy: -166.275 flat angles C4'-P-C4' energy: -146.132 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -147.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1517.850516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.850516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.850516 (E_RNA) where: Base-Base interactions energy: -919.898 where: short stacking energy: -436.930 Base-Backbone interact. energy: -0.522 local terms energy: -597.431155 where: bonds (distance) C4'-P energy: -143.585 bonds (distance) P-C4' energy: -147.605 flat angles C4'-P-C4' energy: -121.070 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -96.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1514.199425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.199425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.199425 (E_RNA) where: Base-Base interactions energy: -951.756 where: short stacking energy: -461.237 Base-Backbone interact. energy: 1.278 local terms energy: -563.721400 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -132.339 flat angles C4'-P-C4' energy: -128.227 flat angles P-C4'-P energy: -93.315 tors. eta vs tors. theta energy: -84.874 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: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1354.556054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.556054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.556054 (E_RNA) where: Base-Base interactions energy: -830.007 where: short stacking energy: -384.685 Base-Backbone interact. energy: -1.389 local terms energy: -523.160292 where: bonds (distance) C4'-P energy: -117.094 bonds (distance) P-C4' energy: -129.795 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -75.041 tors. eta vs tors. theta energy: -69.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1246.354201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.354201 (E_RNA) where: Base-Base interactions energy: -773.212 where: short stacking energy: -350.940 Base-Backbone interact. energy: 0.140 local terms energy: -473.282302 where: bonds (distance) C4'-P energy: -117.281 bonds (distance) P-C4' energy: -112.193 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -76.511 tors. eta vs tors. theta energy: -53.331 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: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -824.775298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.775298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.775298 (E_RNA) where: Base-Base interactions energy: -415.525 where: short stacking energy: -213.399 Base-Backbone interact. energy: 4.242 local terms energy: -413.492636 where: bonds (distance) C4'-P energy: -121.360 bonds (distance) P-C4' energy: -125.001 flat angles C4'-P-C4' energy: -98.565 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -587.397916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.397916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.397916 (E_RNA) where: Base-Base interactions energy: -231.521 where: short stacking energy: -155.226 Base-Backbone interact. energy: 0.611 local terms energy: -356.487844 where: bonds (distance) C4'-P energy: -124.313 bonds (distance) P-C4' energy: -134.106 flat angles C4'-P-C4' energy: -80.925 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: 39.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2268.331236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.331236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.331236 (E_RNA) where: Base-Base interactions energy: -1504.779 where: short stacking energy: -667.528 Base-Backbone interact. energy: -3.954 local terms energy: -759.597665 where: bonds (distance) C4'-P energy: -156.007 bonds (distance) P-C4' energy: -141.603 flat angles C4'-P-C4' energy: -161.323 flat angles P-C4'-P energy: -108.034 tors. eta vs tors. theta energy: -192.631 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: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2058.843898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.843898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.843898 (E_RNA) where: Base-Base interactions energy: -1354.643 where: short stacking energy: -602.076 Base-Backbone interact. energy: -4.132 local terms energy: -700.068545 where: bonds (distance) C4'-P energy: -146.849 bonds (distance) P-C4' energy: -154.939 flat angles C4'-P-C4' energy: -144.515 flat angles P-C4'-P energy: -107.484 tors. eta vs tors. theta energy: -146.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1926.351506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.351506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.351506 (E_RNA) where: Base-Base interactions energy: -1266.778 where: short stacking energy: -579.830 Base-Backbone interact. energy: 0.221 local terms energy: -659.794708 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -142.067 flat angles C4'-P-C4' energy: -149.649 flat angles P-C4'-P energy: -88.832 tors. eta vs tors. theta energy: -149.196 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: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1819.057715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.057715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.057715 (E_RNA) where: Base-Base interactions energy: -1156.504 where: short stacking energy: -536.645 Base-Backbone interact. energy: 0.162 local terms energy: -662.716088 where: bonds (distance) C4'-P energy: -142.245 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -146.394 flat angles P-C4'-P energy: -98.375 tors. eta vs tors. theta energy: -133.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1610.065426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.065426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.065426 (E_RNA) where: Base-Base interactions energy: -1036.622 where: short stacking energy: -490.708 Base-Backbone interact. energy: -0.487 local terms energy: -572.956544 where: bonds (distance) C4'-P energy: -140.310 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -125.413 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -99.191 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: 35 Temperature: 1.150000 Total energy: -1542.360062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.360062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.360062 (E_RNA) where: Base-Base interactions energy: -984.294 where: short stacking energy: -478.647 Base-Backbone interact. energy: -1.565 local terms energy: -556.501709 where: bonds (distance) C4'-P energy: -121.602 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -128.673 flat angles P-C4'-P energy: -94.317 tors. eta vs tors. theta energy: -90.224 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1314.142108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.142108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.142108 (E_RNA) where: Base-Base interactions energy: -778.587 where: short stacking energy: -396.080 Base-Backbone interact. energy: 1.961 local terms energy: -537.515618 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -146.877 flat angles C4'-P-C4' energy: -127.523 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -65.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1268.785463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.785463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.785463 (E_RNA) where: Base-Base interactions energy: -748.094 where: short stacking energy: -334.255 Base-Backbone interact. energy: -3.363 local terms energy: -517.328084 where: bonds (distance) C4'-P energy: -131.320 bonds (distance) P-C4' energy: -138.057 flat angles C4'-P-C4' energy: -120.022 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -59.876 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: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -861.321606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.321606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.321606 (E_RNA) where: Base-Base interactions energy: -439.697 where: short stacking energy: -257.566 Base-Backbone interact. energy: 1.159 local terms energy: -422.783028 where: bonds (distance) C4'-P energy: -117.575 bonds (distance) P-C4' energy: -126.990 flat angles C4'-P-C4' energy: -87.574 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -12.515 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: 35 Temperature: 1.350000 Total energy: -601.527959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.527959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.527959 (E_RNA) where: Base-Base interactions energy: -211.347 where: short stacking energy: -163.007 Base-Backbone interact. energy: 1.812 local terms energy: -391.992428 where: bonds (distance) C4'-P energy: -143.520 bonds (distance) P-C4' energy: -116.434 flat angles C4'-P-C4' energy: -98.103 flat angles P-C4'-P energy: -56.514 tors. eta vs tors. theta energy: 22.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2214.161511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.161511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.161511 (E_RNA) where: Base-Base interactions energy: -1465.458 where: short stacking energy: -674.326 Base-Backbone interact. energy: -2.155 local terms energy: -746.548241 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -142.301 flat angles C4'-P-C4' energy: -167.584 flat angles P-C4'-P energy: -100.834 tors. eta vs tors. theta energy: -181.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2076.754750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.754750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.754750 (E_RNA) where: Base-Base interactions energy: -1331.432 where: short stacking energy: -636.856 Base-Backbone interact. energy: -3.745 local terms energy: -741.577921 where: bonds (distance) C4'-P energy: -153.754 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -168.545 flat angles P-C4'-P energy: -96.659 tors. eta vs tors. theta energy: -170.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1992.468608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.468608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.468608 (E_RNA) where: Base-Base interactions energy: -1304.752 where: short stacking energy: -615.157 Base-Backbone interact. energy: 3.021 local terms energy: -690.737419 where: bonds (distance) C4'-P energy: -124.159 bonds (distance) P-C4' energy: -156.588 flat angles C4'-P-C4' energy: -155.682 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -161.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1760.648817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.648817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.648817 (E_RNA) where: Base-Base interactions energy: -1108.484 where: short stacking energy: -511.293 Base-Backbone interact. energy: 0.951 local terms energy: -653.115740 where: bonds (distance) C4'-P energy: -136.202 bonds (distance) P-C4' energy: -145.699 flat angles C4'-P-C4' energy: -160.188 flat angles P-C4'-P energy: -84.503 tors. eta vs tors. theta energy: -126.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1632.231959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.231959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.231959 (E_RNA) where: Base-Base interactions energy: -1051.721 where: short stacking energy: -490.573 Base-Backbone interact. energy: 0.142 local terms energy: -580.653346 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -114.882 flat angles C4'-P-C4' energy: -144.000 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -112.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1551.411775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.411775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.411775 (E_RNA) where: Base-Base interactions energy: -957.400 where: short stacking energy: -440.298 Base-Backbone interact. energy: -2.303 local terms energy: -591.708655 where: bonds (distance) C4'-P energy: -126.925 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -144.964 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -95.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1398.754532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.754532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.754532 (E_RNA) where: Base-Base interactions energy: -858.245 where: short stacking energy: -410.534 Base-Backbone interact. energy: -1.802 local terms energy: -538.707347 where: bonds (distance) C4'-P energy: -145.231 bonds (distance) P-C4' energy: -115.039 flat angles C4'-P-C4' energy: -119.701 flat angles P-C4'-P energy: -82.738 tors. eta vs tors. theta energy: -75.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1236.715680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.715680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.715680 (E_RNA) where: Base-Base interactions energy: -725.947 where: short stacking energy: -369.316 Base-Backbone interact. energy: 7.296 local terms energy: -518.064081 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -136.223 flat angles C4'-P-C4' energy: -122.328 flat angles P-C4'-P energy: -81.760 tors. eta vs tors. theta energy: -58.192 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: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -835.716591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.716591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.716591 (E_RNA) where: Base-Base interactions energy: -429.084 where: short stacking energy: -248.954 Base-Backbone interact. energy: 2.268 local terms energy: -408.900555 where: bonds (distance) C4'-P energy: -131.180 bonds (distance) P-C4' energy: -100.846 flat angles C4'-P-C4' energy: -115.592 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -556.743627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.743627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.743627 (E_RNA) where: Base-Base interactions energy: -198.291 where: short stacking energy: -163.585 Base-Backbone interact. energy: -2.200 local terms energy: -356.252785 where: bonds (distance) C4'-P energy: -95.243 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -109.988 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: 10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2237.675806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.675806 (E_RNA) where: Base-Base interactions energy: -1478.447 where: short stacking energy: -667.763 Base-Backbone interact. energy: -2.345 local terms energy: -756.883698 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -160.795 flat angles C4'-P-C4' energy: -161.364 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -183.034 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: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2052.480896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.480896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.480896 (E_RNA) where: Base-Base interactions energy: -1362.827 where: short stacking energy: -620.138 Base-Backbone interact. energy: -1.602 local terms energy: -688.051836 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -160.545 flat angles C4'-P-C4' energy: -149.694 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -149.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1970.945898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.945898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.945898 (E_RNA) where: Base-Base interactions energy: -1291.029 where: short stacking energy: -601.675 Base-Backbone interact. energy: -2.091 local terms energy: -677.825887 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -154.565 flat angles P-C4'-P energy: -104.903 tors. eta vs tors. theta energy: -158.630 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1828.090802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.090802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.090802 (E_RNA) where: Base-Base interactions energy: -1178.892 where: short stacking energy: -555.789 Base-Backbone interact. energy: -0.072 local terms energy: -649.127318 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -157.094 flat angles P-C4'-P energy: -85.963 tors. eta vs tors. theta energy: -136.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1688.452507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.452507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.452507 (E_RNA) where: Base-Base interactions energy: -1071.568 where: short stacking energy: -515.811 Base-Backbone interact. energy: 2.474 local terms energy: -619.357725 where: bonds (distance) C4'-P energy: -134.481 bonds (distance) P-C4' energy: -125.960 flat angles C4'-P-C4' energy: -152.864 flat angles P-C4'-P energy: -97.138 tors. eta vs tors. theta energy: -108.915 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: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1553.579107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.579107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.579107 (E_RNA) where: Base-Base interactions energy: -951.142 where: short stacking energy: -450.886 Base-Backbone interact. energy: -1.080 local terms energy: -601.357953 where: bonds (distance) C4'-P energy: -135.452 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -142.820 flat angles P-C4'-P energy: -96.375 tors. eta vs tors. theta energy: -91.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1307.652042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.652042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.652042 (E_RNA) where: Base-Base interactions energy: -806.791 where: short stacking energy: -370.290 Base-Backbone interact. energy: -1.548 local terms energy: -499.312716 where: bonds (distance) C4'-P energy: -118.069 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -129.654 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: -68.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1176.458943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.458943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.458943 (E_RNA) where: Base-Base interactions energy: -692.158 where: short stacking energy: -365.768 Base-Backbone interact. energy: 3.011 local terms energy: -487.311877 where: bonds (distance) C4'-P energy: -118.388 bonds (distance) P-C4' energy: -119.984 flat angles C4'-P-C4' energy: -129.766 flat angles P-C4'-P energy: -74.158 tors. eta vs tors. theta energy: -45.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -830.883592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.883592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.883592 (E_RNA) where: Base-Base interactions energy: -446.314 where: short stacking energy: -247.670 Base-Backbone interact. energy: 1.885 local terms energy: -386.454367 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -133.898 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -589.418926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.418926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.418926 (E_RNA) where: Base-Base interactions energy: -225.026 where: short stacking energy: -173.246 Base-Backbone interact. energy: -0.496 local terms energy: -363.897179 where: bonds (distance) C4'-P energy: -110.049 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -98.927 flat angles P-C4'-P energy: -52.559 tors. eta vs tors. theta energy: 18.308 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: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2269.699933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.699933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.699933 (E_RNA) where: Base-Base interactions energy: -1502.981 where: short stacking energy: -677.597 Base-Backbone interact. energy: -5.417 local terms energy: -761.301828 where: bonds (distance) C4'-P energy: -156.928 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -165.845 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -192.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2063.746237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.746237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.746237 (E_RNA) where: Base-Base interactions energy: -1329.232 where: short stacking energy: -625.203 Base-Backbone interact. energy: -4.040 local terms energy: -730.473921 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -150.442 flat angles C4'-P-C4' energy: -162.171 flat angles P-C4'-P energy: -109.096 tors. eta vs tors. theta energy: -168.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1959.583709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.583709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.583709 (E_RNA) where: Base-Base interactions energy: -1301.547 where: short stacking energy: -577.094 Base-Backbone interact. energy: -0.688 local terms energy: -657.349378 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -149.038 flat angles P-C4'-P energy: -84.449 tors. eta vs tors. theta energy: -131.298 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: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1911.806982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.806982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.806982 (E_RNA) where: Base-Base interactions energy: -1253.807 where: short stacking energy: -542.955 Base-Backbone interact. energy: -2.473 local terms energy: -655.527455 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -146.709 flat angles C4'-P-C4' energy: -133.154 flat angles P-C4'-P energy: -97.570 tors. eta vs tors. theta energy: -133.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1689.427648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.427648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.427648 (E_RNA) where: Base-Base interactions energy: -1080.920 where: short stacking energy: -503.376 Base-Backbone interact. energy: -1.217 local terms energy: -607.290196 where: bonds (distance) C4'-P energy: -142.761 bonds (distance) P-C4' energy: -128.834 flat angles C4'-P-C4' energy: -139.269 flat angles P-C4'-P energy: -84.218 tors. eta vs tors. theta energy: -112.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1516.401197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.401197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.401197 (E_RNA) where: Base-Base interactions energy: -963.480 where: short stacking energy: -432.439 Base-Backbone interact. energy: 9.689 local terms energy: -562.610096 where: bonds (distance) C4'-P energy: -124.115 bonds (distance) P-C4' energy: -137.591 flat angles C4'-P-C4' energy: -132.638 flat angles P-C4'-P energy: -86.040 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1310.814320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.814320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.814320 (E_RNA) where: Base-Base interactions energy: -786.701 where: short stacking energy: -382.487 Base-Backbone interact. energy: -1.684 local terms energy: -522.429306 where: bonds (distance) C4'-P energy: -122.759 bonds (distance) P-C4' energy: -123.598 flat angles C4'-P-C4' energy: -129.417 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -69.503 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: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1213.231897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.231897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.231897 (E_RNA) where: Base-Base interactions energy: -747.324 where: short stacking energy: -375.311 Base-Backbone interact. energy: -3.111 local terms energy: -462.796845 where: bonds (distance) C4'-P energy: -106.121 bonds (distance) P-C4' energy: -128.812 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -57.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -841.281705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.281705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.281705 (E_RNA) where: Base-Base interactions energy: -433.964 where: short stacking energy: -261.913 Base-Backbone interact. energy: 0.904 local terms energy: -408.221282 where: bonds (distance) C4'-P energy: -106.466 bonds (distance) P-C4' energy: -131.481 flat angles C4'-P-C4' energy: -97.466 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -597.809645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.809645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.809645 (E_RNA) where: Base-Base interactions energy: -233.704 where: short stacking energy: -189.935 Base-Backbone interact. energy: -3.460 local terms energy: -360.645629 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -99.514 flat angles C4'-P-C4' energy: -102.478 flat angles P-C4'-P energy: -57.822 tors. eta vs tors. theta energy: 15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2308.050665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.050665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.050665 (E_RNA) where: Base-Base interactions energy: -1565.361 where: short stacking energy: -680.463 Base-Backbone interact. energy: -6.957 local terms energy: -735.731989 where: bonds (distance) C4'-P energy: -131.506 bonds (distance) P-C4' energy: -139.267 flat angles C4'-P-C4' energy: -160.560 flat angles P-C4'-P energy: -120.104 tors. eta vs tors. theta energy: -184.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2071.002334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.002334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.002334 (E_RNA) where: Base-Base interactions energy: -1356.936 where: short stacking energy: -619.067 Base-Backbone interact. energy: -2.908 local terms energy: -711.158419 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -153.398 flat angles C4'-P-C4' energy: -162.751 flat angles P-C4'-P energy: -90.847 tors. eta vs tors. theta energy: -171.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1963.885337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.885337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.885337 (E_RNA) where: Base-Base interactions energy: -1290.401 where: short stacking energy: -605.526 Base-Backbone interact. energy: -1.163 local terms energy: -672.321408 where: bonds (distance) C4'-P energy: -129.210 bonds (distance) P-C4' energy: -145.889 flat angles C4'-P-C4' energy: -149.398 flat angles P-C4'-P energy: -99.307 tors. eta vs tors. theta energy: -148.518 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: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1929.872838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.872838 (E_RNA) where: Base-Base interactions energy: -1249.421 where: short stacking energy: -584.529 Base-Backbone interact. energy: -1.473 local terms energy: -678.978912 where: bonds (distance) C4'-P energy: -142.000 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -137.940 flat angles P-C4'-P energy: -100.947 tors. eta vs tors. theta energy: -158.061 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: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1680.723777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.723777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.723777 (E_RNA) where: Base-Base interactions energy: -1090.266 where: short stacking energy: -476.806 Base-Backbone interact. energy: 1.396 local terms energy: -591.854486 where: bonds (distance) C4'-P energy: -132.028 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -147.811 flat angles P-C4'-P energy: -73.187 tors. eta vs tors. theta energy: -93.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1461.856288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.856288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.856288 (E_RNA) where: Base-Base interactions energy: -895.275 where: short stacking energy: -460.456 Base-Backbone interact. energy: 1.335 local terms energy: -567.916212 where: bonds (distance) C4'-P energy: -124.158 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -149.226 flat angles P-C4'-P energy: -70.193 tors. eta vs tors. theta energy: -87.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1377.327648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.327648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.327648 (E_RNA) where: Base-Base interactions energy: -845.403 where: short stacking energy: -380.517 Base-Backbone interact. energy: -4.925 local terms energy: -526.999845 where: bonds (distance) C4'-P energy: -122.546 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -127.424 flat angles P-C4'-P energy: -76.987 tors. eta vs tors. theta energy: -60.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1123.858764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.858764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.858764 (E_RNA) where: Base-Base interactions energy: -679.153 where: short stacking energy: -328.802 Base-Backbone interact. energy: 8.721 local terms energy: -453.426630 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -114.456 flat angles C4'-P-C4' energy: -111.533 flat angles P-C4'-P energy: -75.176 tors. eta vs tors. theta energy: -41.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -962.660580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.660580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.660580 (E_RNA) where: Base-Base interactions energy: -492.019 where: short stacking energy: -266.058 Base-Backbone interact. energy: -0.609 local terms energy: -470.032056 where: bonds (distance) C4'-P energy: -106.560 bonds (distance) P-C4' energy: -149.423 flat angles C4'-P-C4' energy: -118.606 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -28.463 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: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -542.721739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.721739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.721739 (E_RNA) where: Base-Base interactions energy: -208.419 where: short stacking energy: -155.073 Base-Backbone interact. energy: 1.118 local terms energy: -335.421422 where: bonds (distance) C4'-P energy: -102.050 bonds (distance) P-C4' energy: -104.557 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: 26.830 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: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2268.680613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.680613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.680613 (E_RNA) where: Base-Base interactions energy: -1517.179 where: short stacking energy: -674.023 Base-Backbone interact. energy: -1.207 local terms energy: -750.294557 where: bonds (distance) C4'-P energy: -153.302 bonds (distance) P-C4' energy: -150.492 flat angles C4'-P-C4' energy: -156.690 flat angles P-C4'-P energy: -111.947 tors. eta vs tors. theta energy: -177.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2087.588137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.588137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.588137 (E_RNA) where: Base-Base interactions energy: -1362.177 where: short stacking energy: -611.091 Base-Backbone interact. energy: -3.242 local terms energy: -722.169165 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -162.537 flat angles C4'-P-C4' energy: -158.160 flat angles P-C4'-P energy: -94.791 tors. eta vs tors. theta energy: -166.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1984.144769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.144769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.144769 (E_RNA) where: Base-Base interactions energy: -1294.347 where: short stacking energy: -612.818 Base-Backbone interact. energy: -3.320 local terms energy: -686.477764 where: bonds (distance) C4'-P energy: -137.624 bonds (distance) P-C4' energy: -138.494 flat angles C4'-P-C4' energy: -153.827 flat angles P-C4'-P energy: -87.048 tors. eta vs tors. theta energy: -169.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1959.231635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.231635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.231635 (E_RNA) where: Base-Base interactions energy: -1279.353 where: short stacking energy: -578.124 Base-Backbone interact. energy: 2.868 local terms energy: -682.746866 where: bonds (distance) C4'-P energy: -127.579 bonds (distance) P-C4' energy: -143.580 flat angles C4'-P-C4' energy: -139.639 flat angles P-C4'-P energy: -113.733 tors. eta vs tors. theta energy: -158.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1776.016248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.016248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.016248 (E_RNA) where: Base-Base interactions energy: -1172.368 where: short stacking energy: -540.163 Base-Backbone interact. energy: 2.828 local terms energy: -606.476093 where: bonds (distance) C4'-P energy: -132.971 bonds (distance) P-C4' energy: -140.796 flat angles C4'-P-C4' energy: -124.015 flat angles P-C4'-P energy: -87.714 tors. eta vs tors. theta energy: -120.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1493.063504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.063504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.063504 (E_RNA) where: Base-Base interactions energy: -919.796 where: short stacking energy: -446.840 Base-Backbone interact. energy: -2.498 local terms energy: -570.769693 where: bonds (distance) C4'-P energy: -124.852 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -129.921 flat angles P-C4'-P energy: -82.730 tors. eta vs tors. theta energy: -97.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1438.678200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.678200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.678200 (E_RNA) where: Base-Base interactions energy: -878.667 where: short stacking energy: -408.683 Base-Backbone interact. energy: -0.740 local terms energy: -559.271365 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -134.101 flat angles P-C4'-P energy: -79.742 tors. eta vs tors. theta energy: -80.172 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: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1168.239950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.239950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.239950 (E_RNA) where: Base-Base interactions energy: -667.691 where: short stacking energy: -329.621 Base-Backbone interact. energy: -3.570 local terms energy: -496.978577 where: bonds (distance) C4'-P energy: -118.268 bonds (distance) P-C4' energy: -128.682 flat angles C4'-P-C4' energy: -139.598 flat angles P-C4'-P energy: -62.469 tors. eta vs tors. theta energy: -47.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1142.092190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.092190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.092190 (E_RNA) where: Base-Base interactions energy: -673.773 where: short stacking energy: -328.210 Base-Backbone interact. energy: -1.598 local terms energy: -466.720294 where: bonds (distance) C4'-P energy: -111.153 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -109.794 flat angles P-C4'-P energy: -75.490 tors. eta vs tors. theta energy: -33.042 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: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -565.688786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.688786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.688786 (E_RNA) where: Base-Base interactions energy: -193.306 where: short stacking energy: -149.729 Base-Backbone interact. energy: 1.646 local terms energy: -374.029235 where: bonds (distance) C4'-P energy: -129.774 bonds (distance) P-C4' energy: -118.188 flat angles C4'-P-C4' energy: -115.244 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: 45.566 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: 41 Temperature: 0.900000 Total energy: -2271.321725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.321725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.321725 (E_RNA) where: Base-Base interactions energy: -1527.830 where: short stacking energy: -648.292 Base-Backbone interact. energy: 0.294 local terms energy: -743.785103 where: bonds (distance) C4'-P energy: -152.505 bonds (distance) P-C4' energy: -146.220 flat angles C4'-P-C4' energy: -165.305 flat angles P-C4'-P energy: -102.299 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: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2073.376794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.376794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.376794 (E_RNA) where: Base-Base interactions energy: -1326.218 where: short stacking energy: -616.728 Base-Backbone interact. energy: -4.134 local terms energy: -743.025438 where: bonds (distance) C4'-P energy: -143.468 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -155.098 flat angles P-C4'-P energy: -112.748 tors. eta vs tors. theta energy: -178.371 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1997.424550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.424550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.424550 (E_RNA) where: Base-Base interactions energy: -1305.606 where: short stacking energy: -570.159 Base-Backbone interact. energy: 0.451 local terms energy: -692.269426 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -155.698 flat angles C4'-P-C4' energy: -155.133 flat angles P-C4'-P energy: -86.580 tors. eta vs tors. theta energy: -149.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1940.521676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.521676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.521676 (E_RNA) where: Base-Base interactions energy: -1310.969 where: short stacking energy: -587.695 Base-Backbone interact. energy: 2.160 local terms energy: -631.712734 where: bonds (distance) C4'-P energy: -123.923 bonds (distance) P-C4' energy: -123.561 flat angles C4'-P-C4' energy: -142.511 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -151.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1741.587364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.587364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.587364 (E_RNA) where: Base-Base interactions energy: -1121.335 where: short stacking energy: -530.245 Base-Backbone interact. energy: -1.814 local terms energy: -618.437798 where: bonds (distance) C4'-P energy: -111.739 bonds (distance) P-C4' energy: -131.756 flat angles C4'-P-C4' energy: -144.192 flat angles P-C4'-P energy: -96.913 tors. eta vs tors. theta energy: -133.837 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: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1522.615516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.615516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.615516 (E_RNA) where: Base-Base interactions energy: -942.003 where: short stacking energy: -446.501 Base-Backbone interact. energy: -0.956 local terms energy: -579.655744 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -128.687 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -108.137 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: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1412.908363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.908363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.908363 (E_RNA) where: Base-Base interactions energy: -895.313 where: short stacking energy: -445.125 Base-Backbone interact. energy: 2.893 local terms energy: -520.488859 where: bonds (distance) C4'-P energy: -111.163 bonds (distance) P-C4' energy: -126.093 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -86.239 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: 41 Temperature: 1.250000 Total energy: -1141.047254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.047254 (E_RNA) where: Base-Base interactions energy: -692.503 where: short stacking energy: -328.560 Base-Backbone interact. energy: 4.410 local terms energy: -452.954944 where: bonds (distance) C4'-P energy: -93.400 bonds (distance) P-C4' energy: -119.553 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -32.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1174.502431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.502431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.502431 (E_RNA) where: Base-Base interactions energy: -702.307 where: short stacking energy: -348.207 Base-Backbone interact. energy: 2.822 local terms energy: -475.017473 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -122.221 flat angles C4'-P-C4' energy: -108.348 flat angles P-C4'-P energy: -79.735 tors. eta vs tors. theta energy: -52.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -546.475148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.475148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.475148 (E_RNA) where: Base-Base interactions energy: -199.462 where: short stacking energy: -163.423 Base-Backbone interact. energy: -4.333 local terms energy: -342.680714 where: bonds (distance) C4'-P energy: -104.351 bonds (distance) P-C4' energy: -121.309 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: 34.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2270.283312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.283312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.283312 (E_RNA) where: Base-Base interactions energy: -1534.608 where: short stacking energy: -634.203 Base-Backbone interact. energy: -4.012 local terms energy: -731.663403 where: bonds (distance) C4'-P energy: -160.565 bonds (distance) P-C4' energy: -136.342 flat angles C4'-P-C4' energy: -154.840 flat angles P-C4'-P energy: -102.017 tors. eta vs tors. theta energy: -177.900 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: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2134.730359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.730359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.730359 (E_RNA) where: Base-Base interactions energy: -1400.437 where: short stacking energy: -660.562 Base-Backbone interact. energy: -5.028 local terms energy: -729.265726 where: bonds (distance) C4'-P energy: -141.536 bonds (distance) P-C4' energy: -150.170 flat angles C4'-P-C4' energy: -173.087 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -175.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1976.635533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.635533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.635533 (E_RNA) where: Base-Base interactions energy: -1305.501 where: short stacking energy: -550.280 Base-Backbone interact. energy: -1.585 local terms energy: -669.549948 where: bonds (distance) C4'-P energy: -131.777 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -142.330 flat angles P-C4'-P energy: -107.328 tors. eta vs tors. theta energy: -150.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1932.056421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.056421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.056421 (E_RNA) where: Base-Base interactions energy: -1258.080 where: short stacking energy: -532.863 Base-Backbone interact. energy: -6.476 local terms energy: -667.499865 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -159.055 flat angles P-C4'-P energy: -91.291 tors. eta vs tors. theta energy: -131.183 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: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1759.554050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.554050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.554050 (E_RNA) where: Base-Base interactions energy: -1135.507 where: short stacking energy: -541.272 Base-Backbone interact. energy: 3.873 local terms energy: -627.919935 where: bonds (distance) C4'-P energy: -136.743 bonds (distance) P-C4' energy: -146.643 flat angles C4'-P-C4' energy: -120.496 flat angles P-C4'-P energy: -91.967 tors. eta vs tors. theta energy: -132.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1510.585183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.585183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.585183 (E_RNA) where: Base-Base interactions energy: -922.467 where: short stacking energy: -446.454 Base-Backbone interact. energy: 4.409 local terms energy: -592.526323 where: bonds (distance) C4'-P energy: -124.778 bonds (distance) P-C4' energy: -148.785 flat angles C4'-P-C4' energy: -133.495 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -88.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1382.812295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.812295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.812295 (E_RNA) where: Base-Base interactions energy: -860.915 where: short stacking energy: -422.323 Base-Backbone interact. energy: -2.851 local terms energy: -519.045446 where: bonds (distance) C4'-P energy: -101.447 bonds (distance) P-C4' energy: -131.211 flat angles C4'-P-C4' energy: -132.039 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -68.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1184.983626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.983626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.983626 (E_RNA) where: Base-Base interactions energy: -706.213 where: short stacking energy: -344.046 Base-Backbone interact. energy: -3.931 local terms energy: -474.839060 where: bonds (distance) C4'-P energy: -113.230 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -117.913 flat angles P-C4'-P energy: -69.714 tors. eta vs tors. theta energy: -56.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1197.594214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.594214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.594214 (E_RNA) where: Base-Base interactions energy: -742.239 where: short stacking energy: -330.816 Base-Backbone interact. energy: 0.665 local terms energy: -456.019580 where: bonds (distance) C4'-P energy: -100.657 bonds (distance) P-C4' energy: -136.671 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -36.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -573.487858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.487858 (E_RNA) where: Base-Base interactions energy: -213.020 where: short stacking energy: -153.299 Base-Backbone interact. energy: -0.139 local terms energy: -360.328596 where: bonds (distance) C4'-P energy: -99.482 bonds (distance) P-C4' energy: -115.770 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -70.711 tors. eta vs tors. theta energy: 33.282 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: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2298.081348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.081348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.081348 (E_RNA) where: Base-Base interactions energy: -1536.202 where: short stacking energy: -658.399 Base-Backbone interact. energy: -3.601 local terms energy: -758.278641 where: bonds (distance) C4'-P energy: -160.795 bonds (distance) P-C4' energy: -155.948 flat angles C4'-P-C4' energy: -153.815 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -180.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2117.222584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.222584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.222584 (E_RNA) where: Base-Base interactions energy: -1381.317 where: short stacking energy: -642.110 Base-Backbone interact. energy: -4.086 local terms energy: -731.819045 where: bonds (distance) C4'-P energy: -142.378 bonds (distance) P-C4' energy: -137.499 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -104.334 tors. eta vs tors. theta energy: -175.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2034.775550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.775550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.775550 (E_RNA) where: Base-Base interactions energy: -1331.381 where: short stacking energy: -596.492 Base-Backbone interact. energy: 2.481 local terms energy: -705.875446 where: bonds (distance) C4'-P energy: -142.498 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -163.757 flat angles P-C4'-P energy: -96.323 tors. eta vs tors. theta energy: -153.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1936.266259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.266259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.266259 (E_RNA) where: Base-Base interactions energy: -1268.857 where: short stacking energy: -594.051 Base-Backbone interact. energy: -2.162 local terms energy: -665.248020 where: bonds (distance) C4'-P energy: -140.596 bonds (distance) P-C4' energy: -127.952 flat angles C4'-P-C4' energy: -160.112 flat angles P-C4'-P energy: -100.171 tors. eta vs tors. theta energy: -136.417 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: 5, replica: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1764.954244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.954244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.954244 (E_RNA) where: Base-Base interactions energy: -1174.673 where: short stacking energy: -523.183 Base-Backbone interact. energy: 0.884 local terms energy: -591.164941 where: bonds (distance) C4'-P energy: -138.841 bonds (distance) P-C4' energy: -127.729 flat angles C4'-P-C4' energy: -131.554 flat angles P-C4'-P energy: -81.377 tors. eta vs tors. theta energy: -111.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1601.573109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.573109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.573109 (E_RNA) where: Base-Base interactions energy: -1005.792 where: short stacking energy: -523.651 Base-Backbone interact. energy: -1.703 local terms energy: -594.078730 where: bonds (distance) C4'-P energy: -115.718 bonds (distance) P-C4' energy: -141.746 flat angles C4'-P-C4' energy: -136.243 flat angles P-C4'-P energy: -85.938 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1419.707285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.707285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.707285 (E_RNA) where: Base-Base interactions energy: -869.471 where: short stacking energy: -385.164 Base-Backbone interact. energy: -0.893 local terms energy: -549.343793 where: bonds (distance) C4'-P energy: -138.977 bonds (distance) P-C4' energy: -135.780 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -75.438 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1241.373849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.373849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.373849 (E_RNA) where: Base-Base interactions energy: -739.985 where: short stacking energy: -334.232 Base-Backbone interact. energy: 2.395 local terms energy: -503.783718 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -137.842 flat angles P-C4'-P energy: -65.093 tors. eta vs tors. theta energy: -42.004 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: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1129.029483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.029483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.029483 (E_RNA) where: Base-Base interactions energy: -662.001 where: short stacking energy: -324.349 Base-Backbone interact. energy: 3.515 local terms energy: -470.543913 where: bonds (distance) C4'-P energy: -110.226 bonds (distance) P-C4' energy: -127.027 flat angles C4'-P-C4' energy: -125.583 flat angles P-C4'-P energy: -64.791 tors. eta vs tors. theta energy: -42.917 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: 43 Temperature: 1.350000 Total energy: -572.798369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.798369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.798369 (E_RNA) where: Base-Base interactions energy: -214.923 where: short stacking energy: -173.572 Base-Backbone interact. energy: -0.313 local terms energy: -357.562603 where: bonds (distance) C4'-P energy: -125.337 bonds (distance) P-C4' energy: -125.456 flat angles C4'-P-C4' energy: -92.699 flat angles P-C4'-P energy: -34.830 tors. eta vs tors. theta energy: 20.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2351.263063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.263063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.263063 (E_RNA) where: Base-Base interactions energy: -1578.191 where: short stacking energy: -691.084 Base-Backbone interact. energy: -4.152 local terms energy: -768.920788 where: bonds (distance) C4'-P energy: -150.477 bonds (distance) P-C4' energy: -152.464 flat angles C4'-P-C4' energy: -162.977 flat angles P-C4'-P energy: -108.016 tors. eta vs tors. theta energy: -194.987 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: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2090.758844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.758844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.758844 (E_RNA) where: Base-Base interactions energy: -1377.248 where: short stacking energy: -621.278 Base-Backbone interact. energy: -1.128 local terms energy: -712.382513 where: bonds (distance) C4'-P energy: -133.715 bonds (distance) P-C4' energy: -157.291 flat angles C4'-P-C4' energy: -149.380 flat angles P-C4'-P energy: -107.727 tors. eta vs tors. theta energy: -164.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2095.132582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.132582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.132582 (E_RNA) where: Base-Base interactions energy: -1383.855 where: short stacking energy: -633.777 Base-Backbone interact. energy: -0.247 local terms energy: -711.030456 where: bonds (distance) C4'-P energy: -149.041 bonds (distance) P-C4' energy: -139.366 flat angles C4'-P-C4' energy: -155.273 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -179.194 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: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1906.078933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.078933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.078933 (E_RNA) where: Base-Base interactions energy: -1246.127 where: short stacking energy: -569.417 Base-Backbone interact. energy: 2.953 local terms energy: -662.904324 where: bonds (distance) C4'-P energy: -142.260 bonds (distance) P-C4' energy: -142.409 flat angles C4'-P-C4' energy: -150.339 flat angles P-C4'-P energy: -85.091 tors. eta vs tors. theta energy: -142.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1832.515891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.515891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.515891 (E_RNA) where: Base-Base interactions energy: -1195.311 where: short stacking energy: -563.517 Base-Backbone interact. energy: -2.798 local terms energy: -634.407029 where: bonds (distance) C4'-P energy: -119.288 bonds (distance) P-C4' energy: -149.812 flat angles C4'-P-C4' energy: -148.877 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -128.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1613.803661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.803661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.803661 (E_RNA) where: Base-Base interactions energy: -1016.233 where: short stacking energy: -490.416 Base-Backbone interact. energy: -2.599 local terms energy: -594.971927 where: bonds (distance) C4'-P energy: -127.292 bonds (distance) P-C4' energy: -127.382 flat angles C4'-P-C4' energy: -127.722 flat angles P-C4'-P energy: -96.524 tors. eta vs tors. theta energy: -116.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1376.531143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.531143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.531143 (E_RNA) where: Base-Base interactions energy: -846.860 where: short stacking energy: -405.964 Base-Backbone interact. energy: -2.271 local terms energy: -527.400080 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -128.758 flat angles C4'-P-C4' energy: -125.487 flat angles P-C4'-P energy: -67.606 tors. eta vs tors. theta energy: -77.923 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: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1199.873387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.873387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.873387 (E_RNA) where: Base-Base interactions energy: -709.874 where: short stacking energy: -330.616 Base-Backbone interact. energy: -1.301 local terms energy: -488.698304 where: bonds (distance) C4'-P energy: -120.500 bonds (distance) P-C4' energy: -136.496 flat angles C4'-P-C4' energy: -122.833 flat angles P-C4'-P energy: -55.847 tors. eta vs tors. theta energy: -53.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1130.361551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.361551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.361551 (E_RNA) where: Base-Base interactions energy: -693.394 where: short stacking energy: -313.831 Base-Backbone interact. energy: 1.736 local terms energy: -438.703507 where: bonds (distance) C4'-P energy: -109.037 bonds (distance) P-C4' energy: -111.093 flat angles C4'-P-C4' energy: -122.696 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -28.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -574.221046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.221046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.221046 (E_RNA) where: Base-Base interactions energy: -194.102 where: short stacking energy: -143.137 Base-Backbone interact. energy: -2.406 local terms energy: -377.712310 where: bonds (distance) C4'-P energy: -114.544 bonds (distance) P-C4' energy: -133.136 flat angles C4'-P-C4' energy: -103.388 flat angles P-C4'-P energy: -49.509 tors. eta vs tors. theta energy: 22.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2313.387329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.387329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.387329 (E_RNA) where: Base-Base interactions energy: -1546.439 where: short stacking energy: -678.033 Base-Backbone interact. energy: -5.024 local terms energy: -761.924702 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -158.312 flat angles C4'-P-C4' energy: -162.462 flat angles P-C4'-P energy: -105.627 tors. eta vs tors. theta energy: -191.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2159.450154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.450154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.450154 (E_RNA) where: Base-Base interactions energy: -1436.297 where: short stacking energy: -622.266 Base-Backbone interact. energy: -2.112 local terms energy: -721.040941 where: bonds (distance) C4'-P energy: -156.589 bonds (distance) P-C4' energy: -137.002 flat angles C4'-P-C4' energy: -168.973 flat angles P-C4'-P energy: -102.633 tors. eta vs tors. theta energy: -155.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2070.289260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.289260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.289260 (E_RNA) where: Base-Base interactions energy: -1371.501 where: short stacking energy: -618.037 Base-Backbone interact. energy: -5.858 local terms energy: -692.929268 where: bonds (distance) C4'-P energy: -131.151 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -172.670 flat angles P-C4'-P energy: -82.076 tors. eta vs tors. theta energy: -165.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1930.636362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.636362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.636362 (E_RNA) where: Base-Base interactions energy: -1268.299 where: short stacking energy: -594.359 Base-Backbone interact. energy: -0.040 local terms energy: -662.297722 where: bonds (distance) C4'-P energy: -139.525 bonds (distance) P-C4' energy: -135.232 flat angles C4'-P-C4' energy: -148.851 flat angles P-C4'-P energy: -84.901 tors. eta vs tors. theta energy: -153.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1819.193561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.193561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.193561 (E_RNA) where: Base-Base interactions energy: -1197.386 where: short stacking energy: -549.247 Base-Backbone interact. energy: 0.521 local terms energy: -622.328065 where: bonds (distance) C4'-P energy: -125.021 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -140.174 flat angles P-C4'-P energy: -86.724 tors. eta vs tors. theta energy: -133.665 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1583.753590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.753590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.753590 (E_RNA) where: Base-Base interactions energy: -1011.387 where: short stacking energy: -459.170 Base-Backbone interact. energy: 0.348 local terms energy: -572.713888 where: bonds (distance) C4'-P energy: -116.584 bonds (distance) P-C4' energy: -139.042 flat angles C4'-P-C4' energy: -133.654 flat angles P-C4'-P energy: -92.253 tors. eta vs tors. theta energy: -91.181 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: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1392.410057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.410057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.410057 (E_RNA) where: Base-Base interactions energy: -846.041 where: short stacking energy: -411.175 Base-Backbone interact. energy: -4.462 local terms energy: -541.906955 where: bonds (distance) C4'-P energy: -115.420 bonds (distance) P-C4' energy: -135.419 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -66.711 tors. eta vs tors. theta energy: -77.945 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: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1256.083492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.083492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.083492 (E_RNA) where: Base-Base interactions energy: -765.716 where: short stacking energy: -346.262 Base-Backbone interact. energy: 1.653 local terms energy: -492.020439 where: bonds (distance) C4'-P energy: -135.142 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -111.250 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -54.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1190.820131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.820131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.820131 (E_RNA) where: Base-Base interactions energy: -721.675 where: short stacking energy: -347.203 Base-Backbone interact. energy: -4.593 local terms energy: -464.551478 where: bonds (distance) C4'-P energy: -117.480 bonds (distance) P-C4' energy: -123.882 flat angles C4'-P-C4' energy: -109.027 flat angles P-C4'-P energy: -65.679 tors. eta vs tors. theta energy: -48.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -570.066372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.066372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.066372 (E_RNA) where: Base-Base interactions energy: -185.098 where: short stacking energy: -142.342 Base-Backbone interact. energy: -0.335 local terms energy: -384.633709 where: bonds (distance) C4'-P energy: -115.816 bonds (distance) P-C4' energy: -126.296 flat angles C4'-P-C4' energy: -96.396 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: 20.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2274.335332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.335332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.335332 (E_RNA) where: Base-Base interactions energy: -1520.927 where: short stacking energy: -657.312 Base-Backbone interact. energy: -4.854 local terms energy: -748.554195 where: bonds (distance) C4'-P energy: -135.864 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -165.023 flat angles P-C4'-P energy: -105.481 tors. eta vs tors. theta energy: -185.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2129.319735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.319735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.319735 (E_RNA) where: Base-Base interactions energy: -1392.830 where: short stacking energy: -632.207 Base-Backbone interact. energy: -4.414 local terms energy: -732.076162 where: bonds (distance) C4'-P energy: -126.118 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -161.452 flat angles P-C4'-P energy: -94.930 tors. eta vs tors. theta energy: -188.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2044.997743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.997743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.997743 (E_RNA) where: Base-Base interactions energy: -1359.064 where: short stacking energy: -617.145 Base-Backbone interact. energy: -2.368 local terms energy: -683.565462 where: bonds (distance) C4'-P energy: -152.440 bonds (distance) P-C4' energy: -142.234 flat angles C4'-P-C4' energy: -149.509 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -151.126 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: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1943.386611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.386611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.386611 (E_RNA) where: Base-Base interactions energy: -1304.773 where: short stacking energy: -626.435 Base-Backbone interact. energy: -0.171 local terms energy: -638.442225 where: bonds (distance) C4'-P energy: -144.255 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -143.870 flat angles P-C4'-P energy: -82.639 tors. eta vs tors. theta energy: -140.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1862.840274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.840274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.840274 (E_RNA) where: Base-Base interactions energy: -1223.585 where: short stacking energy: -588.740 Base-Backbone interact. energy: 0.556 local terms energy: -639.811385 where: bonds (distance) C4'-P energy: -126.421 bonds (distance) P-C4' energy: -142.159 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -94.146 tors. eta vs tors. theta energy: -141.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1727.764964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.764964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.764964 (E_RNA) where: Base-Base interactions energy: -1086.461 where: short stacking energy: -524.929 Base-Backbone interact. energy: -0.681 local terms energy: -640.622701 where: bonds (distance) C4'-P energy: -117.200 bonds (distance) P-C4' energy: -143.485 flat angles C4'-P-C4' energy: -152.064 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -126.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1437.120734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.120734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.120734 (E_RNA) where: Base-Base interactions energy: -862.024 where: short stacking energy: -427.783 Base-Backbone interact. energy: -1.192 local terms energy: -573.905190 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -130.307 flat angles C4'-P-C4' energy: -129.432 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: -100.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1208.454110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.454110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.454110 (E_RNA) where: Base-Base interactions energy: -719.733 where: short stacking energy: -328.121 Base-Backbone interact. energy: 2.179 local terms energy: -490.899601 where: bonds (distance) C4'-P energy: -109.489 bonds (distance) P-C4' energy: -123.109 flat angles C4'-P-C4' energy: -147.739 flat angles P-C4'-P energy: -65.635 tors. eta vs tors. theta energy: -44.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1197.192181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.192181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.192181 (E_RNA) where: Base-Base interactions energy: -756.121 where: short stacking energy: -348.867 Base-Backbone interact. energy: 1.372 local terms energy: -442.442713 where: bonds (distance) C4'-P energy: -117.854 bonds (distance) P-C4' energy: -100.057 flat angles C4'-P-C4' energy: -112.178 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -46.145 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: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -703.956515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.956515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.956515 (E_RNA) where: Base-Base interactions energy: -347.774 where: short stacking energy: -203.109 Base-Backbone interact. energy: -1.232 local terms energy: -354.950608 where: bonds (distance) C4'-P energy: -98.330 bonds (distance) P-C4' energy: -101.383 flat angles C4'-P-C4' energy: -100.381 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: 22.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2268.224758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.224758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.224758 (E_RNA) where: Base-Base interactions energy: -1511.132 where: short stacking energy: -648.322 Base-Backbone interact. energy: -4.129 local terms energy: -752.963883 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -131.489 flat angles C4'-P-C4' energy: -179.316 flat angles P-C4'-P energy: -103.733 tors. eta vs tors. theta energy: -190.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2151.131977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.131977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.131977 (E_RNA) where: Base-Base interactions energy: -1397.352 where: short stacking energy: -630.317 Base-Backbone interact. energy: -2.476 local terms energy: -751.303829 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -159.104 flat angles C4'-P-C4' energy: -161.569 flat angles P-C4'-P energy: -120.199 tors. eta vs tors. theta energy: -172.439 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: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2028.119635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.119635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.119635 (E_RNA) where: Base-Base interactions energy: -1345.581 where: short stacking energy: -590.978 Base-Backbone interact. energy: 2.597 local terms energy: -685.136512 where: bonds (distance) C4'-P energy: -151.325 bonds (distance) P-C4' energy: -133.676 flat angles C4'-P-C4' energy: -147.160 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -151.527 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: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1938.602762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.602762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.602762 (E_RNA) where: Base-Base interactions energy: -1280.545 where: short stacking energy: -568.430 Base-Backbone interact. energy: -2.268 local terms energy: -655.789937 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -144.029 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -131.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1806.879718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.879718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.879718 (E_RNA) where: Base-Base interactions energy: -1174.014 where: short stacking energy: -529.101 Base-Backbone interact. energy: -1.509 local terms energy: -631.357587 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -137.268 flat angles C4'-P-C4' energy: -145.092 flat angles P-C4'-P energy: -88.242 tors. eta vs tors. theta energy: -128.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1725.858646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.858646 (E_RNA) where: Base-Base interactions energy: -1126.547 where: short stacking energy: -522.583 Base-Backbone interact. energy: 1.568 local terms energy: -600.879255 where: bonds (distance) C4'-P energy: -132.215 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -117.696 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -144.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1416.635908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.635908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.635908 (E_RNA) where: Base-Base interactions energy: -886.881 where: short stacking energy: -412.363 Base-Backbone interact. energy: -3.220 local terms energy: -526.534216 where: bonds (distance) C4'-P energy: -116.733 bonds (distance) P-C4' energy: -119.623 flat angles C4'-P-C4' energy: -131.323 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -69.727 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1215.646140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.646140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.646140 (E_RNA) where: Base-Base interactions energy: -709.203 where: short stacking energy: -357.608 Base-Backbone interact. energy: -0.634 local terms energy: -505.808519 where: bonds (distance) C4'-P energy: -125.617 bonds (distance) P-C4' energy: -112.636 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -87.740 tors. eta vs tors. theta energy: -52.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1216.829433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.829433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.829433 (E_RNA) where: Base-Base interactions energy: -742.006 where: short stacking energy: -345.166 Base-Backbone interact. energy: 0.593 local terms energy: -475.416029 where: bonds (distance) C4'-P energy: -128.186 bonds (distance) P-C4' energy: -123.206 flat angles C4'-P-C4' energy: -123.961 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -37.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -738.743485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.743485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.743485 (E_RNA) where: Base-Base interactions energy: -413.141 where: short stacking energy: -211.124 Base-Backbone interact. energy: -4.322 local terms energy: -321.280621 where: bonds (distance) C4'-P energy: -101.138 bonds (distance) P-C4' energy: -127.660 flat angles C4'-P-C4' energy: -61.301 flat angles P-C4'-P energy: -44.662 tors. eta vs tors. theta energy: 13.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2247.161695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.161695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.161695 (E_RNA) where: Base-Base interactions energy: -1489.596 where: short stacking energy: -643.086 Base-Backbone interact. energy: -6.052 local terms energy: -751.513722 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -165.687 flat angles P-C4'-P energy: -113.434 tors. eta vs tors. theta energy: -174.945 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: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2178.217965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.217965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.217965 (E_RNA) where: Base-Base interactions energy: -1472.162 where: short stacking energy: -669.327 Base-Backbone interact. energy: -5.110 local terms energy: -700.945698 where: bonds (distance) C4'-P energy: -136.013 bonds (distance) P-C4' energy: -143.887 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -100.275 tors. eta vs tors. theta energy: -169.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2054.586831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.586831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.586831 (E_RNA) where: Base-Base interactions energy: -1339.712 where: short stacking energy: -636.468 Base-Backbone interact. energy: -0.327 local terms energy: -714.548611 where: bonds (distance) C4'-P energy: -146.775 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -101.071 tors. eta vs tors. theta energy: -176.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1927.357534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.357534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.357534 (E_RNA) where: Base-Base interactions energy: -1274.091 where: short stacking energy: -554.073 Base-Backbone interact. energy: -1.905 local terms energy: -651.362306 where: bonds (distance) C4'-P energy: -138.929 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -144.616 flat angles P-C4'-P energy: -98.398 tors. eta vs tors. theta energy: -124.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1902.142826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.142826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.142826 (E_RNA) where: Base-Base interactions energy: -1261.933 where: short stacking energy: -572.508 Base-Backbone interact. energy: -1.419 local terms energy: -638.790761 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -144.018 flat angles C4'-P-C4' energy: -140.615 flat angles P-C4'-P energy: -82.005 tors. eta vs tors. theta energy: -136.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1746.312321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.312321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.312321 (E_RNA) where: Base-Base interactions energy: -1094.624 where: short stacking energy: -526.593 Base-Backbone interact. energy: -0.987 local terms energy: -650.701124 where: bonds (distance) C4'-P energy: -144.449 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -86.441 tors. eta vs tors. theta energy: -148.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1473.055501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.055501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.055501 (E_RNA) where: Base-Base interactions energy: -934.150 where: short stacking energy: -414.119 Base-Backbone interact. energy: 4.081 local terms energy: -542.986456 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -120.835 flat angles P-C4'-P energy: -79.268 tors. eta vs tors. theta energy: -77.517 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: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1188.792117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.792117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.792117 (E_RNA) where: Base-Base interactions energy: -707.000 where: short stacking energy: -352.853 Base-Backbone interact. energy: -1.243 local terms energy: -480.549141 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -122.782 flat angles C4'-P-C4' energy: -125.481 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -33.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1206.777710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.777710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.777710 (E_RNA) where: Base-Base interactions energy: -703.598 where: short stacking energy: -349.585 Base-Backbone interact. energy: -0.511 local terms energy: -502.668864 where: bonds (distance) C4'-P energy: -117.527 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -110.430 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -66.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -661.033832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.033832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.033832 (E_RNA) where: Base-Base interactions energy: -279.786 where: short stacking energy: -175.229 Base-Backbone interact. energy: 3.926 local terms energy: -385.173669 where: bonds (distance) C4'-P energy: -125.600 bonds (distance) P-C4' energy: -129.043 flat angles C4'-P-C4' energy: -99.977 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: 12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2272.811503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.811503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.811503 (E_RNA) where: Base-Base interactions energy: -1507.611 where: short stacking energy: -635.798 Base-Backbone interact. energy: -10.493 local terms energy: -754.707535 where: bonds (distance) C4'-P energy: -143.978 bonds (distance) P-C4' energy: -157.208 flat angles C4'-P-C4' energy: -167.958 flat angles P-C4'-P energy: -110.163 tors. eta vs tors. theta energy: -175.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2195.686950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.686950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.686950 (E_RNA) where: Base-Base interactions energy: -1479.915 where: short stacking energy: -675.364 Base-Backbone interact. energy: -1.744 local terms energy: -714.028140 where: bonds (distance) C4'-P energy: -159.583 bonds (distance) P-C4' energy: -138.874 flat angles C4'-P-C4' energy: -146.746 flat angles P-C4'-P energy: -92.983 tors. eta vs tors. theta energy: -175.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2065.035331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.035331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.035331 (E_RNA) where: Base-Base interactions energy: -1345.429 where: short stacking energy: -613.366 Base-Backbone interact. energy: 1.209 local terms energy: -720.815052 where: bonds (distance) C4'-P energy: -152.954 bonds (distance) P-C4' energy: -147.002 flat angles C4'-P-C4' energy: -153.195 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -171.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1931.351836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.351836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.351836 (E_RNA) where: Base-Base interactions energy: -1258.288 where: short stacking energy: -610.246 Base-Backbone interact. energy: -3.287 local terms energy: -669.777342 where: bonds (distance) C4'-P energy: -136.402 bonds (distance) P-C4' energy: -131.830 flat angles C4'-P-C4' energy: -152.557 flat angles P-C4'-P energy: -99.782 tors. eta vs tors. theta energy: -149.207 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: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1891.200924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.200924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.200924 (E_RNA) where: Base-Base interactions energy: -1217.261 where: short stacking energy: -555.772 Base-Backbone interact. energy: -0.799 local terms energy: -673.141043 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -148.573 flat angles C4'-P-C4' energy: -141.502 flat angles P-C4'-P energy: -103.695 tors. eta vs tors. theta energy: -153.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1770.025960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.025960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.025960 (E_RNA) where: Base-Base interactions energy: -1152.683 where: short stacking energy: -533.211 Base-Backbone interact. energy: -1.849 local terms energy: -615.493334 where: bonds (distance) C4'-P energy: -124.063 bonds (distance) P-C4' energy: -114.983 flat angles C4'-P-C4' energy: -158.559 flat angles P-C4'-P energy: -73.882 tors. eta vs tors. theta energy: -144.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1495.353947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.353947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.353947 (E_RNA) where: Base-Base interactions energy: -918.237 where: short stacking energy: -417.438 Base-Backbone interact. energy: -2.028 local terms energy: -575.088765 where: bonds (distance) C4'-P energy: -122.399 bonds (distance) P-C4' energy: -140.873 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -76.200 tors. eta vs tors. theta energy: -85.728 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: 49 Temperature: 1.250000 Total energy: -1177.690170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.690170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.690170 (E_RNA) where: Base-Base interactions energy: -689.793 where: short stacking energy: -353.476 Base-Backbone interact. energy: 4.685 local terms energy: -492.582164 where: bonds (distance) C4'-P energy: -114.665 bonds (distance) P-C4' energy: -136.214 flat angles C4'-P-C4' energy: -122.441 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -41.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1272.373691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.373691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.373691 (E_RNA) where: Base-Base interactions energy: -794.468 where: short stacking energy: -360.460 Base-Backbone interact. energy: 5.162 local terms energy: -483.067040 where: bonds (distance) C4'-P energy: -110.871 bonds (distance) P-C4' energy: -104.004 flat angles C4'-P-C4' energy: -124.338 flat angles P-C4'-P energy: -89.280 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: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -643.022490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.022490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.022490 (E_RNA) where: Base-Base interactions energy: -284.658 where: short stacking energy: -183.065 Base-Backbone interact. energy: -0.895 local terms energy: -357.469332 where: bonds (distance) C4'-P energy: -102.582 bonds (distance) P-C4' energy: -149.844 flat angles C4'-P-C4' energy: -95.375 flat angles P-C4'-P energy: -27.607 tors. eta vs tors. theta energy: 17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2235.431274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.431274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.431274 (E_RNA) where: Base-Base interactions energy: -1503.535 where: short stacking energy: -659.235 Base-Backbone interact. energy: 2.215 local terms energy: -734.111358 where: bonds (distance) C4'-P energy: -147.409 bonds (distance) P-C4' energy: -151.231 flat angles C4'-P-C4' energy: -152.361 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -171.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2179.498001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.498001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.498001 (E_RNA) where: Base-Base interactions energy: -1440.454 where: short stacking energy: -645.969 Base-Backbone interact. energy: -0.676 local terms energy: -738.367550 where: bonds (distance) C4'-P energy: -148.270 bonds (distance) P-C4' energy: -153.283 flat angles C4'-P-C4' energy: -160.516 flat angles P-C4'-P energy: -98.056 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: 3, replica: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2014.682911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.682911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.682911 (E_RNA) where: Base-Base interactions energy: -1312.653 where: short stacking energy: -624.772 Base-Backbone interact. energy: -2.870 local terms energy: -699.159758 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -143.467 flat angles C4'-P-C4' energy: -162.605 flat angles P-C4'-P energy: -97.894 tors. eta vs tors. theta energy: -157.563 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: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1958.226201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.226201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.226201 (E_RNA) where: Base-Base interactions energy: -1292.625 where: short stacking energy: -559.620 Base-Backbone interact. energy: -2.292 local terms energy: -663.308544 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -140.267 flat angles C4'-P-C4' energy: -147.190 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -144.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1869.937448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.937448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.937448 (E_RNA) where: Base-Base interactions energy: -1200.012 where: short stacking energy: -565.104 Base-Backbone interact. energy: -3.019 local terms energy: -666.907264 where: bonds (distance) C4'-P energy: -149.210 bonds (distance) P-C4' energy: -129.823 flat angles C4'-P-C4' energy: -134.194 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -153.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1806.264053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.264053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.264053 (E_RNA) where: Base-Base interactions energy: -1199.287 where: short stacking energy: -525.042 Base-Backbone interact. energy: 0.117 local terms energy: -607.094403 where: bonds (distance) C4'-P energy: -130.991 bonds (distance) P-C4' energy: -120.861 flat angles C4'-P-C4' energy: -139.657 flat angles P-C4'-P energy: -94.133 tors. eta vs tors. theta energy: -121.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1449.081757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.081757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.081757 (E_RNA) where: Base-Base interactions energy: -911.939 where: short stacking energy: -436.215 Base-Backbone interact. energy: -1.041 local terms energy: -536.102017 where: bonds (distance) C4'-P energy: -129.554 bonds (distance) P-C4' energy: -126.441 flat angles C4'-P-C4' energy: -129.209 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -84.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1192.314480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.314480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.314480 (E_RNA) where: Base-Base interactions energy: -693.339 where: short stacking energy: -332.668 Base-Backbone interact. energy: -2.432 local terms energy: -496.543949 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -125.588 flat angles C4'-P-C4' energy: -121.172 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -49.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1190.537933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.537933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.537933 (E_RNA) where: Base-Base interactions energy: -706.482 where: short stacking energy: -328.085 Base-Backbone interact. energy: 2.986 local terms energy: -487.041891 where: bonds (distance) C4'-P energy: -122.293 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -46.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -571.109183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.109183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.109183 (E_RNA) where: Base-Base interactions energy: -224.813 where: short stacking energy: -140.056 Base-Backbone interact. energy: -0.882 local terms energy: -345.413949 where: bonds (distance) C4'-P energy: -101.034 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -83.831 flat angles P-C4'-P energy: -63.588 tors. eta vs tors. theta energy: 38.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2256.687910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.687910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.687910 (E_RNA) where: Base-Base interactions energy: -1489.671 where: short stacking energy: -640.608 Base-Backbone interact. energy: 0.376 local terms energy: -767.392614 where: bonds (distance) C4'-P energy: -156.909 bonds (distance) P-C4' energy: -161.502 flat angles C4'-P-C4' energy: -174.193 flat angles P-C4'-P energy: -96.522 tors. eta vs tors. theta energy: -178.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2210.446552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.446552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.446552 (E_RNA) where: Base-Base interactions energy: -1471.200 where: short stacking energy: -618.481 Base-Backbone interact. energy: -2.494 local terms energy: -736.753404 where: bonds (distance) C4'-P energy: -150.166 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -151.588 flat angles P-C4'-P energy: -111.929 tors. eta vs tors. theta energy: -169.690 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: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1998.358931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.358931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.358931 (E_RNA) where: Base-Base interactions energy: -1292.430 where: short stacking energy: -599.383 Base-Backbone interact. energy: -4.030 local terms energy: -701.899071 where: bonds (distance) C4'-P energy: -137.627 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -154.942 flat angles P-C4'-P energy: -105.687 tors. eta vs tors. theta energy: -161.981 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: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1937.029576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.029576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.029576 (E_RNA) where: Base-Base interactions energy: -1286.550 where: short stacking energy: -571.922 Base-Backbone interact. energy: -3.330 local terms energy: -647.149510 where: bonds (distance) C4'-P energy: -109.810 bonds (distance) P-C4' energy: -143.204 flat angles C4'-P-C4' energy: -156.633 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -142.432 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: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1814.813146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.813146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.813146 (E_RNA) where: Base-Base interactions energy: -1156.996 where: short stacking energy: -549.913 Base-Backbone interact. energy: -2.288 local terms energy: -655.529754 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -127.948 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -102.910 tors. eta vs tors. theta energy: -142.576 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: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1910.691016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.691016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.691016 (E_RNA) where: Base-Base interactions energy: -1281.876 where: short stacking energy: -549.547 Base-Backbone interact. energy: 3.727 local terms energy: -632.542092 where: bonds (distance) C4'-P energy: -130.573 bonds (distance) P-C4' energy: -133.196 flat angles C4'-P-C4' energy: -136.000 flat angles P-C4'-P energy: -96.500 tors. eta vs tors. theta energy: -136.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1431.518273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.518273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.518273 (E_RNA) where: Base-Base interactions energy: -899.293 where: short stacking energy: -429.048 Base-Backbone interact. energy: -0.658 local terms energy: -531.566802 where: bonds (distance) C4'-P energy: -127.519 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -117.057 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -93.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1196.476186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.476186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.476186 (E_RNA) where: Base-Base interactions energy: -710.937 where: short stacking energy: -352.264 Base-Backbone interact. energy: -2.138 local terms energy: -483.401049 where: bonds (distance) C4'-P energy: -122.181 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -135.601 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -45.072 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: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1089.281346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.281346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.281346 (E_RNA) where: Base-Base interactions energy: -679.869 where: short stacking energy: -292.630 Base-Backbone interact. energy: 1.770 local terms energy: -411.182762 where: bonds (distance) C4'-P energy: -102.551 bonds (distance) P-C4' energy: -121.199 flat angles C4'-P-C4' energy: -100.537 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -14.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -576.971111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.971111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.971111 (E_RNA) where: Base-Base interactions energy: -202.424 where: short stacking energy: -174.999 Base-Backbone interact. energy: -0.133 local terms energy: -374.413567 where: bonds (distance) C4'-P energy: -106.652 bonds (distance) P-C4' energy: -88.523 flat angles C4'-P-C4' energy: -129.184 flat angles P-C4'-P energy: -57.442 tors. eta vs tors. theta energy: 7.387 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: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2284.285267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.285267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.285267 (E_RNA) where: Base-Base interactions energy: -1510.761 where: short stacking energy: -672.084 Base-Backbone interact. energy: -5.933 local terms energy: -767.591110 where: bonds (distance) C4'-P energy: -146.293 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -179.102 flat angles P-C4'-P energy: -100.208 tors. eta vs tors. theta energy: -185.427 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: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2190.318697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.318697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.318697 (E_RNA) where: Base-Base interactions energy: -1463.730 where: short stacking energy: -630.313 Base-Backbone interact. energy: -5.065 local terms energy: -721.522938 where: bonds (distance) C4'-P energy: -145.572 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -161.066 flat angles P-C4'-P energy: -103.087 tors. eta vs tors. theta energy: -174.182 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: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2051.615933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.615933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.615933 (E_RNA) where: Base-Base interactions energy: -1357.751 where: short stacking energy: -631.227 Base-Backbone interact. energy: 0.139 local terms energy: -694.003328 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -147.975 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -96.015 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: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2027.207081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.207081 (E_RNA) where: Base-Base interactions energy: -1347.676 where: short stacking energy: -616.669 Base-Backbone interact. energy: -2.439 local terms energy: -677.093026 where: bonds (distance) C4'-P energy: -127.430 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -149.263 flat angles P-C4'-P energy: -97.575 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: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1971.103037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.103037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.103037 (E_RNA) where: Base-Base interactions energy: -1310.545 where: short stacking energy: -567.271 Base-Backbone interact. energy: -1.826 local terms energy: -658.732259 where: bonds (distance) C4'-P energy: -132.252 bonds (distance) P-C4' energy: -138.677 flat angles C4'-P-C4' energy: -152.819 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -152.758 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: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1814.118900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.118900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.118900 (E_RNA) where: Base-Base interactions energy: -1193.175 where: short stacking energy: -562.227 Base-Backbone interact. energy: -0.892 local terms energy: -620.051177 where: bonds (distance) C4'-P energy: -108.520 bonds (distance) P-C4' energy: -123.869 flat angles C4'-P-C4' energy: -144.127 flat angles P-C4'-P energy: -94.798 tors. eta vs tors. theta energy: -148.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1406.124808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.124808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.124808 (E_RNA) where: Base-Base interactions energy: -859.598 where: short stacking energy: -415.046 Base-Backbone interact. energy: -0.763 local terms energy: -545.763386 where: bonds (distance) C4'-P energy: -119.107 bonds (distance) P-C4' energy: -131.852 flat angles C4'-P-C4' energy: -122.648 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -84.249 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: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1163.507714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.507714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.507714 (E_RNA) where: Base-Base interactions energy: -669.205 where: short stacking energy: -343.185 Base-Backbone interact. energy: -0.467 local terms energy: -493.835172 where: bonds (distance) C4'-P energy: -121.258 bonds (distance) P-C4' energy: -123.864 flat angles C4'-P-C4' energy: -117.994 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -51.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1010.565351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.565351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.565351 (E_RNA) where: Base-Base interactions energy: -591.753 where: short stacking energy: -318.786 Base-Backbone interact. energy: 1.618 local terms energy: -420.429711 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -106.212 flat angles C4'-P-C4' energy: -102.767 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -35.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -571.986163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.986163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.986163 (E_RNA) where: Base-Base interactions energy: -204.100 where: short stacking energy: -171.182 Base-Backbone interact. energy: 11.150 local terms energy: -379.035331 where: bonds (distance) C4'-P energy: -121.320 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -102.996 flat angles P-C4'-P energy: -49.013 tors. eta vs tors. theta energy: 34.793 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2255.159001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.159001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.159001 (E_RNA) where: Base-Base interactions energy: -1513.683 where: short stacking energy: -670.590 Base-Backbone interact. energy: -3.386 local terms energy: -738.090130 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -156.597 flat angles P-C4'-P energy: -109.875 tors. eta vs tors. theta energy: -185.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2240.479683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.479683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.479683 (E_RNA) where: Base-Base interactions energy: -1515.397 where: short stacking energy: -658.932 Base-Backbone interact. energy: 0.101 local terms energy: -725.183601 where: bonds (distance) C4'-P energy: -153.263 bonds (distance) P-C4' energy: -140.463 flat angles C4'-P-C4' energy: -155.192 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -184.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2048.618058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.618058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.618058 (E_RNA) where: Base-Base interactions energy: -1342.475 where: short stacking energy: -590.778 Base-Backbone interact. energy: -3.109 local terms energy: -703.034134 where: bonds (distance) C4'-P energy: -135.587 bonds (distance) P-C4' energy: -147.371 flat angles C4'-P-C4' energy: -161.054 flat angles P-C4'-P energy: -94.367 tors. eta vs tors. theta energy: -164.655 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: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2027.026989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.026989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.026989 (E_RNA) where: Base-Base interactions energy: -1349.709 where: short stacking energy: -596.418 Base-Backbone interact. energy: -1.473 local terms energy: -675.845428 where: bonds (distance) C4'-P energy: -127.022 bonds (distance) P-C4' energy: -140.380 flat angles C4'-P-C4' energy: -154.577 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -160.068 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: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2047.596419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.596419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.596419 (E_RNA) where: Base-Base interactions energy: -1375.008 where: short stacking energy: -590.920 Base-Backbone interact. energy: -2.984 local terms energy: -669.604760 where: bonds (distance) C4'-P energy: -128.758 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -99.336 tors. eta vs tors. theta energy: -148.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1752.666763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.666763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.666763 (E_RNA) where: Base-Base interactions energy: -1119.812 where: short stacking energy: -534.891 Base-Backbone interact. energy: -2.940 local terms energy: -629.914746 where: bonds (distance) C4'-P energy: -126.980 bonds (distance) P-C4' energy: -127.743 flat angles C4'-P-C4' energy: -136.099 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -136.688 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: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1382.603224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.603224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.603224 (E_RNA) where: Base-Base interactions energy: -837.067 where: short stacking energy: -425.453 Base-Backbone interact. energy: 0.383 local terms energy: -545.919442 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -102.657 flat angles C4'-P-C4' energy: -144.358 flat angles P-C4'-P energy: -85.530 tors. eta vs tors. theta energy: -87.909 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: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1223.511372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.511372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.511372 (E_RNA) where: Base-Base interactions energy: -734.365 where: short stacking energy: -357.525 Base-Backbone interact. energy: -0.794 local terms energy: -488.352498 where: bonds (distance) C4'-P energy: -124.993 bonds (distance) P-C4' energy: -135.825 flat angles C4'-P-C4' energy: -120.783 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: -40.893 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: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1050.088559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.088559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.088559 (E_RNA) where: Base-Base interactions energy: -637.130 where: short stacking energy: -303.926 Base-Backbone interact. energy: 5.007 local terms energy: -417.965644 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -121.495 flat angles C4'-P-C4' energy: -100.782 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: -24.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -581.242112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.242112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.242112 (E_RNA) where: Base-Base interactions energy: -220.992 where: short stacking energy: -175.375 Base-Backbone interact. energy: 1.459 local terms energy: -361.708550 where: bonds (distance) C4'-P energy: -112.974 bonds (distance) P-C4' energy: -117.683 flat angles C4'-P-C4' energy: -98.440 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: 26.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2298.891544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.891544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.891544 (E_RNA) where: Base-Base interactions energy: -1557.944 where: short stacking energy: -703.949 Base-Backbone interact. energy: -3.384 local terms energy: -737.562832 where: bonds (distance) C4'-P energy: -135.191 bonds (distance) P-C4' energy: -148.909 flat angles C4'-P-C4' energy: -172.817 flat angles P-C4'-P energy: -98.626 tors. eta vs tors. theta energy: -182.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2225.741410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.741410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.741410 (E_RNA) where: Base-Base interactions energy: -1466.423 where: short stacking energy: -645.219 Base-Backbone interact. energy: -2.091 local terms energy: -757.227591 where: bonds (distance) C4'-P energy: -141.461 bonds (distance) P-C4' energy: -152.235 flat angles C4'-P-C4' energy: -171.398 flat angles P-C4'-P energy: -108.102 tors. eta vs tors. theta energy: -184.032 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2014.142337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.142337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.142337 (E_RNA) where: Base-Base interactions energy: -1299.447 where: short stacking energy: -620.501 Base-Backbone interact. energy: -1.771 local terms energy: -712.925200 where: bonds (distance) C4'-P energy: -148.739 bonds (distance) P-C4' energy: -162.662 flat angles C4'-P-C4' energy: -148.107 flat angles P-C4'-P energy: -96.068 tors. eta vs tors. theta energy: -157.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1946.755173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.755173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.755173 (E_RNA) where: Base-Base interactions energy: -1266.108 where: short stacking energy: -543.670 Base-Backbone interact. energy: -3.127 local terms energy: -677.520773 where: bonds (distance) C4'-P energy: -137.984 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -153.153 flat angles P-C4'-P energy: -100.668 tors. eta vs tors. theta energy: -146.353 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: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2037.037067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.037067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.037067 (E_RNA) where: Base-Base interactions energy: -1410.881 where: short stacking energy: -579.140 Base-Backbone interact. energy: -1.724 local terms energy: -624.432525 where: bonds (distance) C4'-P energy: -121.968 bonds (distance) P-C4' energy: -143.670 flat angles C4'-P-C4' energy: -135.451 flat angles P-C4'-P energy: -72.712 tors. eta vs tors. theta energy: -150.631 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: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1743.691978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.691978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.691978 (E_RNA) where: Base-Base interactions energy: -1112.480 where: short stacking energy: -521.254 Base-Backbone interact. energy: -0.102 local terms energy: -631.110516 where: bonds (distance) C4'-P energy: -127.637 bonds (distance) P-C4' energy: -138.115 flat angles C4'-P-C4' energy: -152.921 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -136.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1410.032548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.032548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.032548 (E_RNA) where: Base-Base interactions energy: -884.406 where: short stacking energy: -389.772 Base-Backbone interact. energy: -0.220 local terms energy: -525.406806 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -124.389 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -73.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1238.423291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.423291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.423291 (E_RNA) where: Base-Base interactions energy: -728.894 where: short stacking energy: -353.862 Base-Backbone interact. energy: 6.184 local terms energy: -515.713477 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -117.904 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -63.628 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: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1042.435562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.435562 (E_RNA) where: Base-Base interactions energy: -600.006 where: short stacking energy: -289.245 Base-Backbone interact. energy: 1.252 local terms energy: -443.680933 where: bonds (distance) C4'-P energy: -118.738 bonds (distance) P-C4' energy: -118.657 flat angles C4'-P-C4' energy: -121.076 flat angles P-C4'-P energy: -64.035 tors. eta vs tors. theta energy: -21.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -564.285700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.285700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.285700 (E_RNA) where: Base-Base interactions energy: -180.446 where: short stacking energy: -133.700 Base-Backbone interact. energy: 0.418 local terms energy: -384.257106 where: bonds (distance) C4'-P energy: -143.490 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -101.099 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: 51.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2255.670755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.670755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.670755 (E_RNA) where: Base-Base interactions energy: -1504.227 where: short stacking energy: -706.888 Base-Backbone interact. energy: 0.377 local terms energy: -751.820680 where: bonds (distance) C4'-P energy: -133.721 bonds (distance) P-C4' energy: -162.796 flat angles C4'-P-C4' energy: -157.869 flat angles P-C4'-P energy: -111.001 tors. eta vs tors. theta energy: -186.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2240.091426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.091426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.091426 (E_RNA) where: Base-Base interactions energy: -1525.076 where: short stacking energy: -644.500 Base-Backbone interact. energy: -3.434 local terms energy: -711.581622 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -154.770 flat angles C4'-P-C4' energy: -159.090 flat angles P-C4'-P energy: -95.316 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: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2014.980575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.980575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.980575 (E_RNA) where: Base-Base interactions energy: -1273.891 where: short stacking energy: -605.777 Base-Backbone interact. energy: -2.577 local terms energy: -738.511973 where: bonds (distance) C4'-P energy: -140.109 bonds (distance) P-C4' energy: -152.466 flat angles C4'-P-C4' energy: -161.927 flat angles P-C4'-P energy: -104.207 tors. eta vs tors. theta energy: -179.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2088.848421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.848421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.848421 (E_RNA) where: Base-Base interactions energy: -1404.387 where: short stacking energy: -607.258 Base-Backbone interact. energy: 2.034 local terms energy: -686.495889 where: bonds (distance) C4'-P energy: -133.860 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -155.289 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -164.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1853.915343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.915343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.915343 (E_RNA) where: Base-Base interactions energy: -1192.464 where: short stacking energy: -554.385 Base-Backbone interact. energy: -3.944 local terms energy: -657.507913 where: bonds (distance) C4'-P energy: -146.333 bonds (distance) P-C4' energy: -143.004 flat angles C4'-P-C4' energy: -137.994 flat angles P-C4'-P energy: -84.161 tors. eta vs tors. theta energy: -146.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1790.767199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.767199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.767199 (E_RNA) where: Base-Base interactions energy: -1165.228 where: short stacking energy: -528.901 Base-Backbone interact. energy: -0.977 local terms energy: -624.561601 where: bonds (distance) C4'-P energy: -138.479 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -139.731 flat angles P-C4'-P energy: -89.409 tors. eta vs tors. theta energy: -124.235 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: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1485.348043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.348043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.348043 (E_RNA) where: Base-Base interactions energy: -936.621 where: short stacking energy: -439.228 Base-Backbone interact. energy: -3.514 local terms energy: -545.212682 where: bonds (distance) C4'-P energy: -122.785 bonds (distance) P-C4' energy: -136.374 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -86.813 tors. eta vs tors. theta energy: -84.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1214.915066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.915066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.915066 (E_RNA) where: Base-Base interactions energy: -720.509 where: short stacking energy: -315.170 Base-Backbone interact. energy: -0.431 local terms energy: -493.974798 where: bonds (distance) C4'-P energy: -121.618 bonds (distance) P-C4' energy: -137.594 flat angles C4'-P-C4' energy: -113.218 flat angles P-C4'-P energy: -85.611 tors. eta vs tors. theta energy: -35.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1075.359280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.359280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.359280 (E_RNA) where: Base-Base interactions energy: -613.542 where: short stacking energy: -289.307 Base-Backbone interact. energy: -0.019 local terms energy: -461.798633 where: bonds (distance) C4'-P energy: -119.505 bonds (distance) P-C4' energy: -122.170 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: -38.154 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: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -589.647101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.647101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.647101 (E_RNA) where: Base-Base interactions energy: -199.579 where: short stacking energy: -144.132 Base-Backbone interact. energy: -1.059 local terms energy: -389.008386 where: bonds (distance) C4'-P energy: -103.339 bonds (distance) P-C4' energy: -130.102 flat angles C4'-P-C4' energy: -109.702 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: 27.455 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: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2299.221439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.221439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.221439 (E_RNA) where: Base-Base interactions energy: -1538.537 where: short stacking energy: -671.114 Base-Backbone interact. energy: -0.660 local terms energy: -760.024766 where: bonds (distance) C4'-P energy: -154.156 bonds (distance) P-C4' energy: -146.050 flat angles C4'-P-C4' energy: -161.898 flat angles P-C4'-P energy: -107.575 tors. eta vs tors. theta energy: -190.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2252.755931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.755931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.755931 (E_RNA) where: Base-Base interactions energy: -1542.394 where: short stacking energy: -665.323 Base-Backbone interact. energy: -1.676 local terms energy: -708.686067 where: bonds (distance) C4'-P energy: -140.728 bonds (distance) P-C4' energy: -157.691 flat angles C4'-P-C4' energy: -152.357 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -182.653 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: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2195.127305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.127305 (E_RNA) where: Base-Base interactions energy: -1461.814 where: short stacking energy: -637.280 Base-Backbone interact. energy: -2.757 local terms energy: -730.556401 where: bonds (distance) C4'-P energy: -154.661 bonds (distance) P-C4' energy: -146.933 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -95.122 tors. eta vs tors. theta energy: -171.972 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: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1914.049019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.049019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.049019 (E_RNA) where: Base-Base interactions energy: -1238.020 where: short stacking energy: -557.001 Base-Backbone interact. energy: -2.811 local terms energy: -673.218343 where: bonds (distance) C4'-P energy: -118.517 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -157.530 flat angles P-C4'-P energy: -100.837 tors. eta vs tors. theta energy: -144.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1860.832759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.832759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.832759 (E_RNA) where: Base-Base interactions energy: -1193.207 where: short stacking energy: -532.661 Base-Backbone interact. energy: 0.871 local terms energy: -668.497073 where: bonds (distance) C4'-P energy: -130.488 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -91.729 tors. eta vs tors. theta energy: -141.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1762.272354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.272354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.272354 (E_RNA) where: Base-Base interactions energy: -1154.967 where: short stacking energy: -495.028 Base-Backbone interact. energy: -1.791 local terms energy: -605.514380 where: bonds (distance) C4'-P energy: -135.982 bonds (distance) P-C4' energy: -133.791 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -116.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1449.859301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.859301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.859301 (E_RNA) where: Base-Base interactions energy: -907.632 where: short stacking energy: -422.578 Base-Backbone interact. energy: -2.206 local terms energy: -540.021562 where: bonds (distance) C4'-P energy: -113.110 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -132.220 flat angles P-C4'-P energy: -81.765 tors. eta vs tors. theta energy: -77.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1201.246669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.246669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.246669 (E_RNA) where: Base-Base interactions energy: -713.455 where: short stacking energy: -353.564 Base-Backbone interact. energy: -2.870 local terms energy: -484.920809 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -116.074 flat angles C4'-P-C4' energy: -112.992 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -52.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1027.599526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.599526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.599526 (E_RNA) where: Base-Base interactions energy: -599.460 where: short stacking energy: -302.829 Base-Backbone interact. energy: 2.228 local terms energy: -430.367704 where: bonds (distance) C4'-P energy: -108.960 bonds (distance) P-C4' energy: -116.096 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -41.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -600.974427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.974427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.974427 (E_RNA) where: Base-Base interactions energy: -227.015 where: short stacking energy: -164.782 Base-Backbone interact. energy: 9.337 local terms energy: -383.296922 where: bonds (distance) C4'-P energy: -111.722 bonds (distance) P-C4' energy: -126.110 flat angles C4'-P-C4' energy: -117.242 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: 14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2300.168125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.168125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.168125 (E_RNA) where: Base-Base interactions energy: -1530.759 where: short stacking energy: -674.846 Base-Backbone interact. energy: -3.946 local terms energy: -765.462844 where: bonds (distance) C4'-P energy: -132.867 bonds (distance) P-C4' energy: -157.659 flat angles C4'-P-C4' energy: -170.710 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -188.010 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: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2239.068218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.068218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.068218 (E_RNA) where: Base-Base interactions energy: -1508.611 where: short stacking energy: -672.573 Base-Backbone interact. energy: 1.275 local terms energy: -731.732025 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -161.512 flat angles P-C4'-P energy: -95.587 tors. eta vs tors. theta energy: -188.651 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: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2211.123625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.123625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.123625 (E_RNA) where: Base-Base interactions energy: -1516.240 where: short stacking energy: -648.165 Base-Backbone interact. energy: -1.579 local terms energy: -693.304385 where: bonds (distance) C4'-P energy: -138.884 bonds (distance) P-C4' energy: -127.357 flat angles C4'-P-C4' energy: -154.508 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -177.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1906.843475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.843475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.843475 (E_RNA) where: Base-Base interactions energy: -1237.759 where: short stacking energy: -534.540 Base-Backbone interact. energy: -0.370 local terms energy: -668.714471 where: bonds (distance) C4'-P energy: -134.262 bonds (distance) P-C4' energy: -148.187 flat angles C4'-P-C4' energy: -154.700 flat angles P-C4'-P energy: -91.346 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: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1873.790610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.790610 (E_RNA) where: Base-Base interactions energy: -1214.463 where: short stacking energy: -571.925 Base-Backbone interact. energy: -6.982 local terms energy: -652.344972 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -133.745 flat angles C4'-P-C4' energy: -142.198 flat angles P-C4'-P energy: -95.724 tors. eta vs tors. theta energy: -156.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1744.657019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.657019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.657019 (E_RNA) where: Base-Base interactions energy: -1156.660 where: short stacking energy: -494.671 Base-Backbone interact. energy: -0.102 local terms energy: -587.895808 where: bonds (distance) C4'-P energy: -118.799 bonds (distance) P-C4' energy: -123.606 flat angles C4'-P-C4' energy: -145.739 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -107.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1452.441369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.441369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.441369 (E_RNA) where: Base-Base interactions energy: -914.335 where: short stacking energy: -426.445 Base-Backbone interact. energy: -1.210 local terms energy: -536.896568 where: bonds (distance) C4'-P energy: -124.055 bonds (distance) P-C4' energy: -133.868 flat angles C4'-P-C4' energy: -125.877 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -76.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1174.345193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.345193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.345193 (E_RNA) where: Base-Base interactions energy: -671.405 where: short stacking energy: -328.610 Base-Backbone interact. energy: 4.163 local terms energy: -507.102432 where: bonds (distance) C4'-P energy: -118.896 bonds (distance) P-C4' energy: -137.374 flat angles C4'-P-C4' energy: -119.110 flat angles P-C4'-P energy: -80.344 tors. eta vs tors. theta energy: -51.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1015.026345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.026345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.026345 (E_RNA) where: Base-Base interactions energy: -586.020 where: short stacking energy: -304.998 Base-Backbone interact. energy: 1.380 local terms energy: -430.386628 where: bonds (distance) C4'-P energy: -92.646 bonds (distance) P-C4' energy: -125.368 flat angles C4'-P-C4' energy: -111.168 flat angles P-C4'-P energy: -71.946 tors. eta vs tors. theta energy: -29.260 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: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -586.864390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.864390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.864390 (E_RNA) where: Base-Base interactions energy: -191.832 where: short stacking energy: -137.934 Base-Backbone interact. energy: 2.657 local terms energy: -397.688937 where: bonds (distance) C4'-P energy: -144.175 bonds (distance) P-C4' energy: -118.271 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -54.060 tors. eta vs tors. theta energy: 37.428 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: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2311.547975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.547975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.547975 (E_RNA) where: Base-Base interactions energy: -1551.455 where: short stacking energy: -674.923 Base-Backbone interact. energy: -2.527 local terms energy: -757.565172 where: bonds (distance) C4'-P energy: -150.041 bonds (distance) P-C4' energy: -150.124 flat angles C4'-P-C4' energy: -174.365 flat angles P-C4'-P energy: -96.882 tors. eta vs tors. theta energy: -186.152 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: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2248.770237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.770237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.770237 (E_RNA) where: Base-Base interactions energy: -1500.427 where: short stacking energy: -683.031 Base-Backbone interact. energy: -2.061 local terms energy: -746.283038 where: bonds (distance) C4'-P energy: -141.904 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -153.434 flat angles P-C4'-P energy: -102.828 tors. eta vs tors. theta energy: -189.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2223.075530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.075530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.075530 (E_RNA) where: Base-Base interactions energy: -1518.322 where: short stacking energy: -665.802 Base-Backbone interact. energy: -4.109 local terms energy: -700.644285 where: bonds (distance) C4'-P energy: -124.675 bonds (distance) P-C4' energy: -147.798 flat angles C4'-P-C4' energy: -155.091 flat angles P-C4'-P energy: -100.984 tors. eta vs tors. theta energy: -172.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1933.140819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.140819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.140819 (E_RNA) where: Base-Base interactions energy: -1265.036 where: short stacking energy: -572.942 Base-Backbone interact. energy: -0.961 local terms energy: -667.143606 where: bonds (distance) C4'-P energy: -146.667 bonds (distance) P-C4' energy: -145.744 flat angles C4'-P-C4' energy: -152.968 flat angles P-C4'-P energy: -85.606 tors. eta vs tors. theta energy: -136.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1929.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.906889 (E_RNA) where: Base-Base interactions energy: -1282.682 where: short stacking energy: -594.644 Base-Backbone interact. energy: 2.210 local terms energy: -649.435443 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -120.632 flat angles C4'-P-C4' energy: -118.433 flat angles P-C4'-P energy: -102.237 tors. eta vs tors. theta energy: -165.162 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: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1659.096111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.096111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.096111 (E_RNA) where: Base-Base interactions energy: -1067.886 where: short stacking energy: -456.974 Base-Backbone interact. energy: 7.615 local terms energy: -598.825577 where: bonds (distance) C4'-P energy: -128.701 bonds (distance) P-C4' energy: -131.435 flat angles C4'-P-C4' energy: -137.379 flat angles P-C4'-P energy: -109.256 tors. eta vs tors. theta energy: -92.055 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: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1501.489465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.489465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.489465 (E_RNA) where: Base-Base interactions energy: -928.304 where: short stacking energy: -438.386 Base-Backbone interact. energy: -4.207 local terms energy: -568.978853 where: bonds (distance) C4'-P energy: -135.089 bonds (distance) P-C4' energy: -127.659 flat angles C4'-P-C4' energy: -124.947 flat angles P-C4'-P energy: -83.994 tors. eta vs tors. theta energy: -97.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1240.682394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.682394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.682394 (E_RNA) where: Base-Base interactions energy: -747.186 where: short stacking energy: -347.534 Base-Backbone interact. energy: 4.068 local terms energy: -497.565077 where: bonds (distance) C4'-P energy: -88.713 bonds (distance) P-C4' energy: -130.679 flat angles C4'-P-C4' energy: -149.481 flat angles P-C4'-P energy: -70.258 tors. eta vs tors. theta energy: -58.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1017.946698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.946698 (E_RNA) where: Base-Base interactions energy: -584.585 where: short stacking energy: -281.558 Base-Backbone interact. energy: -0.841 local terms energy: -432.521027 where: bonds (distance) C4'-P energy: -102.667 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -113.014 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -31.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -569.669715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.669715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.669715 (E_RNA) where: Base-Base interactions energy: -197.710 where: short stacking energy: -169.682 Base-Backbone interact. energy: 0.036 local terms energy: -371.995451 where: bonds (distance) C4'-P energy: -101.242 bonds (distance) P-C4' energy: -132.877 flat angles C4'-P-C4' energy: -100.012 flat angles P-C4'-P energy: -73.394 tors. eta vs tors. theta energy: 35.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2278.109981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.109981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.109981 (E_RNA) where: Base-Base interactions energy: -1506.932 where: short stacking energy: -638.033 Base-Backbone interact. energy: 0.280 local terms energy: -771.458371 where: bonds (distance) C4'-P energy: -153.049 bonds (distance) P-C4' energy: -158.904 flat angles C4'-P-C4' energy: -171.967 flat angles P-C4'-P energy: -110.459 tors. eta vs tors. theta energy: -177.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2277.324738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.324738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.324738 (E_RNA) where: Base-Base interactions energy: -1526.308 where: short stacking energy: -674.896 Base-Backbone interact. energy: -3.685 local terms energy: -747.331620 where: bonds (distance) C4'-P energy: -144.173 bonds (distance) P-C4' energy: -149.564 flat angles C4'-P-C4' energy: -170.484 flat angles P-C4'-P energy: -100.378 tors. eta vs tors. theta energy: -182.733 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: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2178.024506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.024506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.024506 (E_RNA) where: Base-Base interactions energy: -1479.380 where: short stacking energy: -621.082 Base-Backbone interact. energy: -3.253 local terms energy: -695.391441 where: bonds (distance) C4'-P energy: -143.608 bonds (distance) P-C4' energy: -129.918 flat angles C4'-P-C4' energy: -169.567 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: -164.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1990.924224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.924224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.924224 (E_RNA) where: Base-Base interactions energy: -1264.387 where: short stacking energy: -590.030 Base-Backbone interact. energy: -2.697 local terms energy: -723.840475 where: bonds (distance) C4'-P energy: -141.028 bonds (distance) P-C4' energy: -139.917 flat angles C4'-P-C4' energy: -149.664 flat angles P-C4'-P energy: -120.803 tors. eta vs tors. theta energy: -172.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1890.671375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.671375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.671375 (E_RNA) where: Base-Base interactions energy: -1220.910 where: short stacking energy: -565.681 Base-Backbone interact. energy: 5.917 local terms energy: -675.678686 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -135.840 flat angles C4'-P-C4' energy: -151.851 flat angles P-C4'-P energy: -102.560 tors. eta vs tors. theta energy: -150.395 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: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1694.903190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.903190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.903190 (E_RNA) where: Base-Base interactions energy: -1127.050 where: short stacking energy: -510.535 Base-Backbone interact. energy: -3.439 local terms energy: -564.414197 where: bonds (distance) C4'-P energy: -120.465 bonds (distance) P-C4' energy: -135.344 flat angles C4'-P-C4' energy: -128.300 flat angles P-C4'-P energy: -74.693 tors. eta vs tors. theta energy: -105.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1536.306691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.306691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.306691 (E_RNA) where: Base-Base interactions energy: -962.987 where: short stacking energy: -423.010 Base-Backbone interact. energy: 2.573 local terms energy: -575.892829 where: bonds (distance) C4'-P energy: -127.048 bonds (distance) P-C4' energy: -131.608 flat angles C4'-P-C4' energy: -139.444 flat angles P-C4'-P energy: -94.648 tors. eta vs tors. theta energy: -83.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1256.566125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.566125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.566125 (E_RNA) where: Base-Base interactions energy: -760.917 where: short stacking energy: -360.588 Base-Backbone interact. energy: -1.562 local terms energy: -494.086727 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -124.607 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -54.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1069.865296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.865296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.865296 (E_RNA) where: Base-Base interactions energy: -608.978 where: short stacking energy: -321.702 Base-Backbone interact. energy: -1.301 local terms energy: -459.586447 where: bonds (distance) C4'-P energy: -129.657 bonds (distance) P-C4' energy: -122.353 flat angles C4'-P-C4' energy: -103.976 flat angles P-C4'-P energy: -70.164 tors. eta vs tors. theta energy: -33.436 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: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -656.487206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.487206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.487206 (E_RNA) where: Base-Base interactions energy: -276.728 where: short stacking energy: -193.731 Base-Backbone interact. energy: -2.285 local terms energy: -377.474426 where: bonds (distance) C4'-P energy: -114.113 bonds (distance) P-C4' energy: -137.492 flat angles C4'-P-C4' energy: -84.169 flat angles P-C4'-P energy: -63.228 tors. eta vs tors. theta energy: 21.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2299.586138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.586138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.586138 (E_RNA) where: Base-Base interactions energy: -1526.423 where: short stacking energy: -680.027 Base-Backbone interact. energy: -3.267 local terms energy: -769.895409 where: bonds (distance) C4'-P energy: -137.267 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -184.005 flat angles P-C4'-P energy: -105.056 tors. eta vs tors. theta energy: -188.213 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2209.292064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.292064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.292064 (E_RNA) where: Base-Base interactions energy: -1480.007 where: short stacking energy: -644.310 Base-Backbone interact. energy: -1.509 local terms energy: -727.776288 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -132.468 flat angles C4'-P-C4' energy: -179.552 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -180.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2216.967551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.967551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.967551 (E_RNA) where: Base-Base interactions energy: -1529.228 where: short stacking energy: -652.192 Base-Backbone interact. energy: -1.255 local terms energy: -686.485355 where: bonds (distance) C4'-P energy: -137.831 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -145.963 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -169.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2025.207698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.207698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.207698 (E_RNA) where: Base-Base interactions energy: -1341.053 where: short stacking energy: -619.846 Base-Backbone interact. energy: -0.080 local terms energy: -684.075045 where: bonds (distance) C4'-P energy: -141.756 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -136.722 flat angles P-C4'-P energy: -102.267 tors. eta vs tors. theta energy: -173.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1916.154523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.154523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.154523 (E_RNA) where: Base-Base interactions energy: -1267.446 where: short stacking energy: -583.078 Base-Backbone interact. energy: 2.801 local terms energy: -651.509739 where: bonds (distance) C4'-P energy: -121.001 bonds (distance) P-C4' energy: -139.425 flat angles C4'-P-C4' energy: -146.642 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -156.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1716.957676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.957676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.957676 (E_RNA) where: Base-Base interactions energy: -1143.912 where: short stacking energy: -490.748 Base-Backbone interact. energy: 1.757 local terms energy: -574.802729 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -115.777 flat angles C4'-P-C4' energy: -140.930 flat angles P-C4'-P energy: -90.090 tors. eta vs tors. theta energy: -102.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1497.858604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.858604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.858604 (E_RNA) where: Base-Base interactions energy: -950.055 where: short stacking energy: -401.220 Base-Backbone interact. energy: -4.957 local terms energy: -542.847065 where: bonds (distance) C4'-P energy: -123.184 bonds (distance) P-C4' energy: -123.759 flat angles C4'-P-C4' energy: -136.644 flat angles P-C4'-P energy: -91.204 tors. eta vs tors. theta energy: -68.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1152.714934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.714934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.714934 (E_RNA) where: Base-Base interactions energy: -692.430 where: short stacking energy: -325.047 Base-Backbone interact. energy: 1.029 local terms energy: -461.313473 where: bonds (distance) C4'-P energy: -114.270 bonds (distance) P-C4' energy: -122.887 flat angles C4'-P-C4' energy: -104.520 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -42.609 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: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1006.504417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.504417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.504417 (E_RNA) where: Base-Base interactions energy: -571.068 where: short stacking energy: -291.206 Base-Backbone interact. energy: 0.453 local terms energy: -435.888678 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -119.641 flat angles C4'-P-C4' energy: -104.509 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -22.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -708.663371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.663371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.663371 (E_RNA) where: Base-Base interactions energy: -326.805 where: short stacking energy: -195.820 Base-Backbone interact. energy: -1.026 local terms energy: -380.832186 where: bonds (distance) C4'-P energy: -108.622 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -110.683 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: 20.662 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: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2306.322490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.322490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.322490 (E_RNA) where: Base-Base interactions energy: -1543.509 where: short stacking energy: -691.216 Base-Backbone interact. energy: 1.016 local terms energy: -763.829967 where: bonds (distance) C4'-P energy: -143.096 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -169.716 flat angles P-C4'-P energy: -114.631 tors. eta vs tors. theta energy: -187.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2311.698725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.698725 (E_RNA) where: Base-Base interactions energy: -1546.135 where: short stacking energy: -708.640 Base-Backbone interact. energy: -2.187 local terms energy: -763.377569 where: bonds (distance) C4'-P energy: -144.257 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -161.435 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -190.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2113.482026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.482026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.482026 (E_RNA) where: Base-Base interactions energy: -1428.152 where: short stacking energy: -653.466 Base-Backbone interact. energy: -1.865 local terms energy: -683.464436 where: bonds (distance) C4'-P energy: -139.997 bonds (distance) P-C4' energy: -123.166 flat angles C4'-P-C4' energy: -159.307 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -179.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2064.654704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.654704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.654704 (E_RNA) where: Base-Base interactions energy: -1351.107 where: short stacking energy: -650.937 Base-Backbone interact. energy: -3.027 local terms energy: -710.521672 where: bonds (distance) C4'-P energy: -124.133 bonds (distance) P-C4' energy: -140.214 flat angles C4'-P-C4' energy: -157.334 flat angles P-C4'-P energy: -104.619 tors. eta vs tors. theta energy: -184.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1872.397891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.397891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.397891 (E_RNA) where: Base-Base interactions energy: -1234.250 where: short stacking energy: -580.715 Base-Backbone interact. energy: -0.469 local terms energy: -637.679132 where: bonds (distance) C4'-P energy: -106.845 bonds (distance) P-C4' energy: -134.800 flat angles C4'-P-C4' energy: -142.852 flat angles P-C4'-P energy: -95.041 tors. eta vs tors. theta energy: -158.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1728.389042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.389042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.389042 (E_RNA) where: Base-Base interactions energy: -1134.599 where: short stacking energy: -508.181 Base-Backbone interact. energy: 0.133 local terms energy: -593.922875 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -146.846 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -71.727 tors. eta vs tors. theta energy: -108.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1575.365022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.365022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.365022 (E_RNA) where: Base-Base interactions energy: -1001.106 where: short stacking energy: -456.163 Base-Backbone interact. energy: -3.087 local terms energy: -571.172806 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -121.679 flat angles C4'-P-C4' energy: -137.394 flat angles P-C4'-P energy: -73.939 tors. eta vs tors. theta energy: -110.349 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: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1200.102815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.102815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.102815 (E_RNA) where: Base-Base interactions energy: -746.759 where: short stacking energy: -326.208 Base-Backbone interact. energy: 7.080 local terms energy: -460.423336 where: bonds (distance) C4'-P energy: -110.177 bonds (distance) P-C4' energy: -122.461 flat angles C4'-P-C4' energy: -110.942 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -34.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -997.038226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.038226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.038226 (E_RNA) where: Base-Base interactions energy: -573.898 where: short stacking energy: -311.046 Base-Backbone interact. energy: -0.582 local terms energy: -422.558381 where: bonds (distance) C4'-P energy: -106.101 bonds (distance) P-C4' energy: -108.946 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -79.533 tors. eta vs tors. theta energy: -21.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -752.054133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.054133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.054133 (E_RNA) where: Base-Base interactions energy: -370.199 where: short stacking energy: -196.246 Base-Backbone interact. energy: -2.686 local terms energy: -379.169041 where: bonds (distance) C4'-P energy: -107.424 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -110.780 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: 7.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2381.889248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.889248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.889248 (E_RNA) where: Base-Base interactions energy: -1626.057 where: short stacking energy: -723.497 Base-Backbone interact. energy: -0.316 local terms energy: -755.516627 where: bonds (distance) C4'-P energy: -144.533 bonds (distance) P-C4' energy: -144.693 flat angles C4'-P-C4' energy: -161.047 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -198.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2256.961034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.961034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.961034 (E_RNA) where: Base-Base interactions energy: -1527.539 where: short stacking energy: -697.082 Base-Backbone interact. energy: -3.201 local terms energy: -726.221541 where: bonds (distance) C4'-P energy: -145.458 bonds (distance) P-C4' energy: -139.123 flat angles C4'-P-C4' energy: -153.539 flat angles P-C4'-P energy: -99.047 tors. eta vs tors. theta energy: -189.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2104.854194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.854194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.854194 (E_RNA) where: Base-Base interactions energy: -1394.446 where: short stacking energy: -603.817 Base-Backbone interact. energy: 0.998 local terms energy: -711.406209 where: bonds (distance) C4'-P energy: -146.047 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -99.515 tors. eta vs tors. theta energy: -165.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2007.456920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.456920 (E_RNA) where: Base-Base interactions energy: -1292.534 where: short stacking energy: -607.240 Base-Backbone interact. energy: -4.199 local terms energy: -710.723197 where: bonds (distance) C4'-P energy: -142.377 bonds (distance) P-C4' energy: -141.288 flat angles C4'-P-C4' energy: -158.133 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: -173.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1810.528980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.528980 (E_RNA) where: Base-Base interactions energy: -1164.153 where: short stacking energy: -581.978 Base-Backbone interact. energy: -2.570 local terms energy: -643.805975 where: bonds (distance) C4'-P energy: -115.849 bonds (distance) P-C4' energy: -140.525 flat angles C4'-P-C4' energy: -138.556 flat angles P-C4'-P energy: -101.153 tors. eta vs tors. theta energy: -147.723 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: 62 Temperature: 1.150000 Total energy: -1717.560416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.560416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.560416 (E_RNA) where: Base-Base interactions energy: -1089.954 where: short stacking energy: -501.934 Base-Backbone interact. energy: -2.796 local terms energy: -624.810412 where: bonds (distance) C4'-P energy: -129.375 bonds (distance) P-C4' energy: -141.202 flat angles C4'-P-C4' energy: -148.239 flat angles P-C4'-P energy: -88.133 tors. eta vs tors. theta energy: -117.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1720.779687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.779687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.779687 (E_RNA) where: Base-Base interactions energy: -1147.771 where: short stacking energy: -504.281 Base-Backbone interact. energy: -2.344 local terms energy: -570.665030 where: bonds (distance) C4'-P energy: -114.526 bonds (distance) P-C4' energy: -130.776 flat angles C4'-P-C4' energy: -132.933 flat angles P-C4'-P energy: -82.388 tors. eta vs tors. theta energy: -110.041 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: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1213.448743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.448743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.448743 (E_RNA) where: Base-Base interactions energy: -695.215 where: short stacking energy: -301.700 Base-Backbone interact. energy: 1.086 local terms energy: -519.320158 where: bonds (distance) C4'-P energy: -136.524 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -126.473 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -50.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1004.403483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.403483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.403483 (E_RNA) where: Base-Base interactions energy: -577.713 where: short stacking energy: -300.177 Base-Backbone interact. energy: -0.178 local terms energy: -426.512485 where: bonds (distance) C4'-P energy: -108.241 bonds (distance) P-C4' energy: -117.252 flat angles C4'-P-C4' energy: -124.309 flat angles P-C4'-P energy: -50.868 tors. eta vs tors. theta energy: -25.843 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: 62 Temperature: 1.350000 Total energy: -662.188255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.188255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.188255 (E_RNA) where: Base-Base interactions energy: -293.711 where: short stacking energy: -151.427 Base-Backbone interact. energy: 1.858 local terms energy: -370.335114 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -133.476 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: 36.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2441.775559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.775559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.775559 (E_RNA) where: Base-Base interactions energy: -1640.804 where: short stacking energy: -735.112 Base-Backbone interact. energy: -2.529 local terms energy: -798.442970 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -164.206 flat angles P-C4'-P energy: -104.676 tors. eta vs tors. theta energy: -219.773 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: 63 Temperature: 0.950000 Total energy: -2220.183208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.183208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.183208 (E_RNA) where: Base-Base interactions energy: -1516.183 where: short stacking energy: -625.643 Base-Backbone interact. energy: -5.460 local terms energy: -698.540206 where: bonds (distance) C4'-P energy: -130.689 bonds (distance) P-C4' energy: -142.445 flat angles C4'-P-C4' energy: -159.264 flat angles P-C4'-P energy: -95.237 tors. eta vs tors. theta energy: -170.905 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: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2157.972114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.972114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.972114 (E_RNA) where: Base-Base interactions energy: -1439.363 where: short stacking energy: -644.338 Base-Backbone interact. energy: -3.272 local terms energy: -715.337512 where: bonds (distance) C4'-P energy: -143.098 bonds (distance) P-C4' energy: -140.321 flat angles C4'-P-C4' energy: -175.968 flat angles P-C4'-P energy: -83.261 tors. eta vs tors. theta energy: -172.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2085.568618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.568618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.568618 (E_RNA) where: Base-Base interactions energy: -1379.480 where: short stacking energy: -652.140 Base-Backbone interact. energy: -2.352 local terms energy: -703.737103 where: bonds (distance) C4'-P energy: -125.995 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -154.137 flat angles P-C4'-P energy: -101.895 tors. eta vs tors. theta energy: -187.930 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: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1768.366750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.366750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.366750 (E_RNA) where: Base-Base interactions energy: -1123.818 where: short stacking energy: -505.615 Base-Backbone interact. energy: -3.692 local terms energy: -640.856456 where: bonds (distance) C4'-P energy: -136.619 bonds (distance) P-C4' energy: -143.787 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -94.958 tors. eta vs tors. theta energy: -129.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1847.806232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.806232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.806232 (E_RNA) where: Base-Base interactions energy: -1243.919 where: short stacking energy: -566.269 Base-Backbone interact. energy: -1.579 local terms energy: -602.308098 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -125.754 flat angles C4'-P-C4' energy: -144.427 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -129.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1599.172853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.172853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.172853 (E_RNA) where: Base-Base interactions energy: -1014.547 where: short stacking energy: -447.773 Base-Backbone interact. energy: 2.675 local terms energy: -587.301565 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -133.267 flat angles C4'-P-C4' energy: -136.299 flat angles P-C4'-P energy: -78.283 tors. eta vs tors. theta energy: -115.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1193.249289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.249289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.249289 (E_RNA) where: Base-Base interactions energy: -734.690 where: short stacking energy: -342.729 Base-Backbone interact. energy: -2.735 local terms energy: -455.824268 where: bonds (distance) C4'-P energy: -113.692 bonds (distance) P-C4' energy: -119.104 flat angles C4'-P-C4' energy: -113.602 flat angles P-C4'-P energy: -76.963 tors. eta vs tors. theta energy: -32.463 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: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1030.476152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.476152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.476152 (E_RNA) where: Base-Base interactions energy: -583.429 where: short stacking energy: -291.562 Base-Backbone interact. energy: -0.503 local terms energy: -446.544599 where: bonds (distance) C4'-P energy: -116.167 bonds (distance) P-C4' energy: -107.060 flat angles C4'-P-C4' energy: -119.972 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -27.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -631.666060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.666060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.666060 (E_RNA) where: Base-Base interactions energy: -263.745 where: short stacking energy: -185.943 Base-Backbone interact. energy: -0.756 local terms energy: -367.164997 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -119.662 flat angles C4'-P-C4' energy: -92.123 flat angles P-C4'-P energy: -67.061 tors. eta vs tors. theta energy: 25.423 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: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2452.395947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.395947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.395947 (E_RNA) where: Base-Base interactions energy: -1667.948 where: short stacking energy: -758.386 Base-Backbone interact. energy: -0.754 local terms energy: -783.693673 where: bonds (distance) C4'-P energy: -148.327 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -168.598 flat angles P-C4'-P energy: -105.708 tors. eta vs tors. theta energy: -207.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2235.030194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.030194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.030194 (E_RNA) where: Base-Base interactions energy: -1486.408 where: short stacking energy: -641.840 Base-Backbone interact. energy: -4.696 local terms energy: -743.926617 where: bonds (distance) C4'-P energy: -155.474 bonds (distance) P-C4' energy: -156.109 flat angles C4'-P-C4' energy: -155.349 flat angles P-C4'-P energy: -97.047 tors. eta vs tors. theta energy: -179.948 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: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2172.358906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.358906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.358906 (E_RNA) where: Base-Base interactions energy: -1410.287 where: short stacking energy: -653.915 Base-Backbone interact. energy: -2.913 local terms energy: -759.158586 where: bonds (distance) C4'-P energy: -140.111 bonds (distance) P-C4' energy: -146.810 flat angles C4'-P-C4' energy: -162.387 flat angles P-C4'-P energy: -99.553 tors. eta vs tors. theta energy: -210.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2057.540841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.540841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.540841 (E_RNA) where: Base-Base interactions energy: -1393.243 where: short stacking energy: -604.642 Base-Backbone interact. energy: -2.356 local terms energy: -661.941718 where: bonds (distance) C4'-P energy: -133.391 bonds (distance) P-C4' energy: -125.271 flat angles C4'-P-C4' energy: -158.926 flat angles P-C4'-P energy: -80.138 tors. eta vs tors. theta energy: -164.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1952.734146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.734146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.734146 (E_RNA) where: Base-Base interactions energy: -1283.668 where: short stacking energy: -562.793 Base-Backbone interact. energy: -1.680 local terms energy: -667.385791 where: bonds (distance) C4'-P energy: -133.745 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -105.377 tors. eta vs tors. theta energy: -145.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1661.435837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.435837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.435837 (E_RNA) where: Base-Base interactions energy: -1075.000 where: short stacking energy: -509.373 Base-Backbone interact. energy: -5.193 local terms energy: -581.243026 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -134.548 flat angles P-C4'-P energy: -70.602 tors. eta vs tors. theta energy: -126.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1512.571715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.571715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.571715 (E_RNA) where: Base-Base interactions energy: -987.296 where: short stacking energy: -428.953 Base-Backbone interact. energy: 1.487 local terms energy: -526.762806 where: bonds (distance) C4'-P energy: -104.436 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -139.887 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -74.555 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: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1280.383369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.383369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.383369 (E_RNA) where: Base-Base interactions energy: -742.262 where: short stacking energy: -342.764 Base-Backbone interact. energy: -0.259 local terms energy: -537.862335 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -131.937 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -95.344 tors. eta vs tors. theta energy: -53.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1044.700737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.700737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.700737 (E_RNA) where: Base-Base interactions energy: -590.323 where: short stacking energy: -309.008 Base-Backbone interact. energy: 1.143 local terms energy: -455.520892 where: bonds (distance) C4'-P energy: -140.682 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -40.929 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: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -594.581067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.581067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.581067 (E_RNA) where: Base-Base interactions energy: -212.199 where: short stacking energy: -174.214 Base-Backbone interact. energy: -2.468 local terms energy: -379.913483 where: bonds (distance) C4'-P energy: -97.193 bonds (distance) P-C4' energy: -128.077 flat angles C4'-P-C4' energy: -97.852 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: 13.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2415.716630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.716630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.716630 (E_RNA) where: Base-Base interactions energy: -1654.253 where: short stacking energy: -720.102 Base-Backbone interact. energy: -2.130 local terms energy: -759.333331 where: bonds (distance) C4'-P energy: -142.451 bonds (distance) P-C4' energy: -146.474 flat angles C4'-P-C4' energy: -159.811 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -214.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2293.371060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.371060 (E_RNA) where: Base-Base interactions energy: -1566.180 where: short stacking energy: -674.887 Base-Backbone interact. energy: -0.388 local terms energy: -726.802147 where: bonds (distance) C4'-P energy: -145.819 bonds (distance) P-C4' energy: -142.232 flat angles C4'-P-C4' energy: -164.914 flat angles P-C4'-P energy: -89.751 tors. eta vs tors. theta energy: -184.085 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: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2157.212597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.212597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.212597 (E_RNA) where: Base-Base interactions energy: -1405.035 where: short stacking energy: -663.158 Base-Backbone interact. energy: -3.040 local terms energy: -749.137727 where: bonds (distance) C4'-P energy: -139.598 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -162.051 flat angles P-C4'-P energy: -102.787 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: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2053.132307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.132307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.132307 (E_RNA) where: Base-Base interactions energy: -1344.334 where: short stacking energy: -628.737 Base-Backbone interact. energy: -3.136 local terms energy: -705.662281 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -140.908 flat angles C4'-P-C4' energy: -147.234 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -181.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1953.567894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.567894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.567894 (E_RNA) where: Base-Base interactions energy: -1321.533 where: short stacking energy: -580.918 Base-Backbone interact. energy: 0.045 local terms energy: -632.079693 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -122.539 flat angles C4'-P-C4' energy: -143.398 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -148.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1672.637958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.637958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.637958 (E_RNA) where: Base-Base interactions energy: -1093.933 where: short stacking energy: -508.167 Base-Backbone interact. energy: -2.161 local terms energy: -576.543157 where: bonds (distance) C4'-P energy: -122.275 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -138.816 flat angles P-C4'-P energy: -68.309 tors. eta vs tors. theta energy: -121.621 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1410.785476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.785476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.785476 (E_RNA) where: Base-Base interactions energy: -869.672 where: short stacking energy: -407.272 Base-Backbone interact. energy: -0.570 local terms energy: -540.543884 where: bonds (distance) C4'-P energy: -137.368 bonds (distance) P-C4' energy: -128.672 flat angles C4'-P-C4' energy: -116.604 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -86.545 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: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1172.886228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.886228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.886228 (E_RNA) where: Base-Base interactions energy: -683.420 where: short stacking energy: -340.223 Base-Backbone interact. energy: 3.943 local terms energy: -493.409569 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -124.968 flat angles C4'-P-C4' energy: -129.641 flat angles P-C4'-P energy: -68.467 tors. eta vs tors. theta energy: -42.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1068.049849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.049849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.049849 (E_RNA) where: Base-Base interactions energy: -613.985 where: short stacking energy: -314.454 Base-Backbone interact. energy: -2.167 local terms energy: -451.898388 where: bonds (distance) C4'-P energy: -110.072 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -113.624 flat angles P-C4'-P energy: -77.804 tors. eta vs tors. theta energy: -33.246 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: 65 Temperature: 1.350000 Total energy: -591.558849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.558849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.558849 (E_RNA) where: Base-Base interactions energy: -231.194 where: short stacking energy: -188.654 Base-Backbone interact. energy: -1.744 local terms energy: -358.620657 where: bonds (distance) C4'-P energy: -123.848 bonds (distance) P-C4' energy: -119.045 flat angles C4'-P-C4' energy: -92.798 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: 20.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2446.697222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.697222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.697222 (E_RNA) where: Base-Base interactions energy: -1663.987 where: short stacking energy: -725.417 Base-Backbone interact. energy: 4.393 local terms energy: -787.103246 where: bonds (distance) C4'-P energy: -144.558 bonds (distance) P-C4' energy: -168.550 flat angles C4'-P-C4' energy: -168.405 flat angles P-C4'-P energy: -97.879 tors. eta vs tors. theta energy: -207.711 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2221.058217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.058217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.058217 (E_RNA) where: Base-Base interactions energy: -1503.298 where: short stacking energy: -672.116 Base-Backbone interact. energy: -3.150 local terms energy: -714.610436 where: bonds (distance) C4'-P energy: -136.064 bonds (distance) P-C4' energy: -148.523 flat angles C4'-P-C4' energy: -156.985 flat angles P-C4'-P energy: -95.136 tors. eta vs tors. theta energy: -177.903 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: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2176.971753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.971753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.971753 (E_RNA) where: Base-Base interactions energy: -1445.458 where: short stacking energy: -675.038 Base-Backbone interact. energy: 0.698 local terms energy: -732.211534 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -140.145 flat angles C4'-P-C4' energy: -154.090 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -202.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2125.448171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.448171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.448171 (E_RNA) where: Base-Base interactions energy: -1396.565 where: short stacking energy: -628.672 Base-Backbone interact. energy: -2.845 local terms energy: -726.038999 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -143.367 flat angles C4'-P-C4' energy: -161.198 flat angles P-C4'-P energy: -104.334 tors. eta vs tors. theta energy: -178.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1870.439524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.439524 (E_RNA) where: Base-Base interactions energy: -1232.837 where: short stacking energy: -548.579 Base-Backbone interact. energy: -1.311 local terms energy: -636.291786 where: bonds (distance) C4'-P energy: -125.486 bonds (distance) P-C4' energy: -113.074 flat angles C4'-P-C4' energy: -146.981 flat angles P-C4'-P energy: -107.695 tors. eta vs tors. theta energy: -143.055 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: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1648.545020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.545020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.545020 (E_RNA) where: Base-Base interactions energy: -1059.766 where: short stacking energy: -498.037 Base-Backbone interact. energy: -1.142 local terms energy: -587.637838 where: bonds (distance) C4'-P energy: -133.691 bonds (distance) P-C4' energy: -142.825 flat angles C4'-P-C4' energy: -141.986 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -108.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1407.786068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.786068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.786068 (E_RNA) where: Base-Base interactions energy: -831.758 where: short stacking energy: -389.040 Base-Backbone interact. energy: -3.002 local terms energy: -573.026389 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -90.437 tors. eta vs tors. theta energy: -84.601 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1214.863469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.863469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.863469 (E_RNA) where: Base-Base interactions energy: -712.156 where: short stacking energy: -320.569 Base-Backbone interact. energy: 0.121 local terms energy: -502.828732 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -137.153 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -40.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -998.248504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.248504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.248504 (E_RNA) where: Base-Base interactions energy: -553.732 where: short stacking energy: -275.998 Base-Backbone interact. energy: -1.166 local terms energy: -443.350553 where: bonds (distance) C4'-P energy: -103.865 bonds (distance) P-C4' energy: -123.356 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -30.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -614.822791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.822791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.822791 (E_RNA) where: Base-Base interactions energy: -218.645 where: short stacking energy: -145.486 Base-Backbone interact. energy: 0.074 local terms energy: -396.252498 where: bonds (distance) C4'-P energy: -126.479 bonds (distance) P-C4' energy: -129.689 flat angles C4'-P-C4' energy: -105.089 flat angles P-C4'-P energy: -63.409 tors. eta vs tors. theta energy: 28.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2496.163698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.163698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.163698 (E_RNA) where: Base-Base interactions energy: -1703.414 where: short stacking energy: -720.518 Base-Backbone interact. energy: 2.982 local terms energy: -795.731850 where: bonds (distance) C4'-P energy: -155.710 bonds (distance) P-C4' energy: -151.255 flat angles C4'-P-C4' energy: -169.538 flat angles P-C4'-P energy: -115.216 tors. eta vs tors. theta energy: -204.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2220.617708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.617708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.617708 (E_RNA) where: Base-Base interactions energy: -1473.436 where: short stacking energy: -685.923 Base-Backbone interact. energy: -1.343 local terms energy: -745.838729 where: bonds (distance) C4'-P energy: -149.051 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -167.521 flat angles P-C4'-P energy: -103.071 tors. eta vs tors. theta energy: -192.129 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: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2141.573897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.573897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.573897 (E_RNA) where: Base-Base interactions energy: -1407.179 where: short stacking energy: -654.040 Base-Backbone interact. energy: -3.178 local terms energy: -731.217393 where: bonds (distance) C4'-P energy: -137.236 bonds (distance) P-C4' energy: -140.998 flat angles C4'-P-C4' energy: -156.298 flat angles P-C4'-P energy: -103.058 tors. eta vs tors. theta energy: -193.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2087.675761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.675761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.675761 (E_RNA) where: Base-Base interactions energy: -1395.258 where: short stacking energy: -605.688 Base-Backbone interact. energy: -2.902 local terms energy: -689.515712 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -148.538 flat angles C4'-P-C4' energy: -152.156 flat angles P-C4'-P energy: -102.525 tors. eta vs tors. theta energy: -161.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1803.215619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.215619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.215619 (E_RNA) where: Base-Base interactions energy: -1176.994 where: short stacking energy: -523.031 Base-Backbone interact. energy: -5.468 local terms energy: -620.753379 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -127.468 flat angles C4'-P-C4' energy: -143.550 flat angles P-C4'-P energy: -94.496 tors. eta vs tors. theta energy: -122.864 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: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1678.553775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.553775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.553775 (E_RNA) where: Base-Base interactions energy: -1053.336 where: short stacking energy: -482.449 Base-Backbone interact. energy: -1.024 local terms energy: -624.193781 where: bonds (distance) C4'-P energy: -131.828 bonds (distance) P-C4' energy: -126.437 flat angles C4'-P-C4' energy: -134.835 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -137.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1404.525326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.525326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.525326 (E_RNA) where: Base-Base interactions energy: -863.954 where: short stacking energy: -429.361 Base-Backbone interact. energy: 1.655 local terms energy: -542.225979 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -135.125 flat angles C4'-P-C4' energy: -121.358 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -93.884 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: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1162.719502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.719502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.719502 (E_RNA) where: Base-Base interactions energy: -707.025 where: short stacking energy: -324.724 Base-Backbone interact. energy: 5.348 local terms energy: -461.042461 where: bonds (distance) C4'-P energy: -107.400 bonds (distance) P-C4' energy: -149.272 flat angles C4'-P-C4' energy: -123.969 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -29.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1073.790240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.790240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.790240 (E_RNA) where: Base-Base interactions energy: -642.293 where: short stacking energy: -311.860 Base-Backbone interact. energy: 2.171 local terms energy: -433.668321 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -126.213 flat angles C4'-P-C4' energy: -103.427 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -36.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -702.413307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.413307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.413307 (E_RNA) where: Base-Base interactions energy: -313.351 where: short stacking energy: -181.792 Base-Backbone interact. energy: 2.358 local terms energy: -391.420632 where: bonds (distance) C4'-P energy: -109.903 bonds (distance) P-C4' energy: -138.410 flat angles C4'-P-C4' energy: -102.480 flat angles P-C4'-P energy: -50.125 tors. eta vs tors. theta energy: 9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2486.149117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.149117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.149117 (E_RNA) where: Base-Base interactions energy: -1702.036 where: short stacking energy: -730.402 Base-Backbone interact. energy: 3.461 local terms energy: -787.574152 where: bonds (distance) C4'-P energy: -147.569 bonds (distance) P-C4' energy: -145.842 flat angles C4'-P-C4' energy: -179.448 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -200.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2218.551466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.551466 (E_RNA) where: Base-Base interactions energy: -1481.212 where: short stacking energy: -662.018 Base-Backbone interact. energy: -4.279 local terms energy: -733.060963 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -148.899 flat angles C4'-P-C4' energy: -171.199 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -178.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2143.290639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.290639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.290639 (E_RNA) where: Base-Base interactions energy: -1402.239 where: short stacking energy: -708.056 Base-Backbone interact. energy: 0.810 local terms energy: -741.861226 where: bonds (distance) C4'-P energy: -135.182 bonds (distance) P-C4' energy: -143.364 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -109.179 tors. eta vs tors. theta energy: -199.258 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: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2001.222826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.222826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.222826 (E_RNA) where: Base-Base interactions energy: -1312.871 where: short stacking energy: -584.825 Base-Backbone interact. energy: -1.550 local terms energy: -686.801704 where: bonds (distance) C4'-P energy: -144.617 bonds (distance) P-C4' energy: -135.611 flat angles C4'-P-C4' energy: -148.426 flat angles P-C4'-P energy: -94.804 tors. eta vs tors. theta energy: -163.343 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: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1843.853652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.853652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.853652 (E_RNA) where: Base-Base interactions energy: -1225.937 where: short stacking energy: -541.525 Base-Backbone interact. energy: -0.575 local terms energy: -617.341890 where: bonds (distance) C4'-P energy: -132.550 bonds (distance) P-C4' energy: -135.972 flat angles C4'-P-C4' energy: -130.411 flat angles P-C4'-P energy: -81.186 tors. eta vs tors. theta energy: -137.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1677.245033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.245033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.245033 (E_RNA) where: Base-Base interactions energy: -1072.233 where: short stacking energy: -503.069 Base-Backbone interact. energy: -3.110 local terms energy: -601.902367 where: bonds (distance) C4'-P energy: -122.400 bonds (distance) P-C4' energy: -116.061 flat angles C4'-P-C4' energy: -142.176 flat angles P-C4'-P energy: -87.369 tors. eta vs tors. theta energy: -133.896 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: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1366.243833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.243833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.243833 (E_RNA) where: Base-Base interactions energy: -821.575 where: short stacking energy: -378.723 Base-Backbone interact. energy: -3.940 local terms energy: -540.729181 where: bonds (distance) C4'-P energy: -123.090 bonds (distance) P-C4' energy: -123.370 flat angles C4'-P-C4' energy: -130.824 flat angles P-C4'-P energy: -75.599 tors. eta vs tors. theta energy: -87.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1157.277238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.277238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.277238 (E_RNA) where: Base-Base interactions energy: -668.069 where: short stacking energy: -356.506 Base-Backbone interact. energy: 5.550 local terms energy: -494.758073 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -123.398 flat angles C4'-P-C4' energy: -126.986 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -45.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1110.587049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.587049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.587049 (E_RNA) where: Base-Base interactions energy: -669.449 where: short stacking energy: -325.125 Base-Backbone interact. energy: 2.669 local terms energy: -443.807437 where: bonds (distance) C4'-P energy: -109.716 bonds (distance) P-C4' energy: -119.194 flat angles C4'-P-C4' energy: -113.302 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -39.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -731.369490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.369490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.369490 (E_RNA) where: Base-Base interactions energy: -371.368 where: short stacking energy: -223.704 Base-Backbone interact. energy: 4.149 local terms energy: -364.150463 where: bonds (distance) C4'-P energy: -103.243 bonds (distance) P-C4' energy: -123.588 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -49.367 tors. eta vs tors. theta energy: 10.775 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: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2465.159439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.159439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.159439 (E_RNA) where: Base-Base interactions energy: -1688.571 where: short stacking energy: -741.588 Base-Backbone interact. energy: -2.106 local terms energy: -774.482642 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -149.601 flat angles C4'-P-C4' energy: -173.635 flat angles P-C4'-P energy: -109.886 tors. eta vs tors. theta energy: -197.777 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: 69 Temperature: 0.950000 Total energy: -2184.663646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.663646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.663646 (E_RNA) where: Base-Base interactions energy: -1487.901 where: short stacking energy: -659.803 Base-Backbone interact. energy: -1.724 local terms energy: -695.038818 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -125.464 flat angles C4'-P-C4' energy: -150.234 flat angles P-C4'-P energy: -110.491 tors. eta vs tors. theta energy: -165.560 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: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2147.058478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.058478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.058478 (E_RNA) where: Base-Base interactions energy: -1421.897 where: short stacking energy: -689.380 Base-Backbone interact. energy: 1.160 local terms energy: -726.322032 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -138.317 flat angles C4'-P-C4' energy: -150.083 flat angles P-C4'-P energy: -121.249 tors. eta vs tors. theta energy: -204.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2070.097895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.097895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.097895 (E_RNA) where: Base-Base interactions energy: -1409.467 where: short stacking energy: -592.868 Base-Backbone interact. energy: -2.743 local terms energy: -657.888163 where: bonds (distance) C4'-P energy: -134.674 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -153.472 flat angles P-C4'-P energy: -91.942 tors. eta vs tors. theta energy: -156.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1836.446139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.446139 (E_RNA) where: Base-Base interactions energy: -1176.467 where: short stacking energy: -514.592 Base-Backbone interact. energy: -3.849 local terms energy: -656.129753 where: bonds (distance) C4'-P energy: -132.773 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -144.585 flat angles P-C4'-P energy: -91.015 tors. eta vs tors. theta energy: -140.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1661.350170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.350170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.350170 (E_RNA) where: Base-Base interactions energy: -1069.888 where: short stacking energy: -475.544 Base-Backbone interact. energy: -2.431 local terms energy: -589.031202 where: bonds (distance) C4'-P energy: -129.786 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -144.172 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -111.640 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: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1409.941019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.941019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.941019 (E_RNA) where: Base-Base interactions energy: -877.593 where: short stacking energy: -462.029 Base-Backbone interact. energy: 2.835 local terms energy: -535.182533 where: bonds (distance) C4'-P energy: -126.676 bonds (distance) P-C4' energy: -126.358 flat angles C4'-P-C4' energy: -118.037 flat angles P-C4'-P energy: -69.833 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1225.930719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.930719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.930719 (E_RNA) where: Base-Base interactions energy: -740.462 where: short stacking energy: -348.395 Base-Backbone interact. energy: 6.089 local terms energy: -491.557351 where: bonds (distance) C4'-P energy: -133.484 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: -40.639 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: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1001.670711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.670711 (E_RNA) where: Base-Base interactions energy: -593.265 where: short stacking energy: -281.422 Base-Backbone interact. energy: 9.010 local terms energy: -417.415885 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -124.817 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -16.959 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: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -759.331006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.331006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.331006 (E_RNA) where: Base-Base interactions energy: -378.583 where: short stacking energy: -245.403 Base-Backbone interact. energy: 2.574 local terms energy: -383.322376 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -89.205 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2506.055211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.055211 (E_RNA) where: Base-Base interactions energy: -1725.831 where: short stacking energy: -717.173 Base-Backbone interact. energy: 1.295 local terms energy: -781.519655 where: bonds (distance) C4'-P energy: -141.394 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -167.377 flat angles P-C4'-P energy: -121.696 tors. eta vs tors. theta energy: -196.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2223.501491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.501491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.501491 (E_RNA) where: Base-Base interactions energy: -1507.987 where: short stacking energy: -621.407 Base-Backbone interact. energy: -7.080 local terms energy: -708.434527 where: bonds (distance) C4'-P energy: -132.921 bonds (distance) P-C4' energy: -144.463 flat angles C4'-P-C4' energy: -171.121 flat angles P-C4'-P energy: -97.745 tors. eta vs tors. theta energy: -162.184 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: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2163.422873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.422873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.422873 (E_RNA) where: Base-Base interactions energy: -1439.292 where: short stacking energy: -692.680 Base-Backbone interact. energy: -1.934 local terms energy: -722.197217 where: bonds (distance) C4'-P energy: -133.838 bonds (distance) P-C4' energy: -130.716 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -102.118 tors. eta vs tors. theta energy: -197.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2098.266952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.266952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.266952 (E_RNA) where: Base-Base interactions energy: -1421.629 where: short stacking energy: -631.463 Base-Backbone interact. energy: -2.041 local terms energy: -674.596589 where: bonds (distance) C4'-P energy: -123.562 bonds (distance) P-C4' energy: -134.974 flat angles C4'-P-C4' energy: -146.037 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -168.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1809.656659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.656659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.656659 (E_RNA) where: Base-Base interactions energy: -1184.222 where: short stacking energy: -539.309 Base-Backbone interact. energy: 0.495 local terms energy: -625.929488 where: bonds (distance) C4'-P energy: -138.869 bonds (distance) P-C4' energy: -129.356 flat angles C4'-P-C4' energy: -138.893 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -126.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1642.453284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.453284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.453284 (E_RNA) where: Base-Base interactions energy: -1075.690 where: short stacking energy: -503.581 Base-Backbone interact. energy: -0.807 local terms energy: -565.956180 where: bonds (distance) C4'-P energy: -105.788 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -137.656 flat angles P-C4'-P energy: -77.996 tors. eta vs tors. theta energy: -114.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1361.811962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.811962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.811962 (E_RNA) where: Base-Base interactions energy: -841.829 where: short stacking energy: -366.814 Base-Backbone interact. energy: -1.697 local terms energy: -518.286454 where: bonds (distance) C4'-P energy: -135.042 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -131.172 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -60.999 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: 70 Temperature: 1.250000 Total energy: -1215.823180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.823180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.823180 (E_RNA) where: Base-Base interactions energy: -718.367 where: short stacking energy: -362.023 Base-Backbone interact. energy: -2.096 local terms energy: -495.360148 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -82.703 flat angles P-C4'-P energy: -85.134 tors. eta vs tors. theta energy: -61.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1021.834702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.834702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.834702 (E_RNA) where: Base-Base interactions energy: -583.844 where: short stacking energy: -309.033 Base-Backbone interact. energy: 4.547 local terms energy: -442.537938 where: bonds (distance) C4'-P energy: -105.593 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -106.864 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -22.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -707.048058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.048058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.048058 (E_RNA) where: Base-Base interactions energy: -340.885 where: short stacking energy: -188.539 Base-Backbone interact. energy: 0.740 local terms energy: -366.903518 where: bonds (distance) C4'-P energy: -113.206 bonds (distance) P-C4' energy: -121.281 flat angles C4'-P-C4' energy: -79.770 flat angles P-C4'-P energy: -72.943 tors. eta vs tors. theta energy: 20.296 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: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2488.095379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.095379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.095379 (E_RNA) where: Base-Base interactions energy: -1744.971 where: short stacking energy: -736.294 Base-Backbone interact. energy: 4.322 local terms energy: -747.446527 where: bonds (distance) C4'-P energy: -154.020 bonds (distance) P-C4' energy: -128.625 flat angles C4'-P-C4' energy: -165.937 flat angles P-C4'-P energy: -96.265 tors. eta vs tors. theta energy: -202.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2289.015244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.015244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.015244 (E_RNA) where: Base-Base interactions energy: -1559.326 where: short stacking energy: -660.843 Base-Backbone interact. energy: -2.122 local terms energy: -727.567466 where: bonds (distance) C4'-P energy: -165.101 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -158.280 flat angles P-C4'-P energy: -88.102 tors. eta vs tors. theta energy: -174.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2157.712882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.712882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.712882 (E_RNA) where: Base-Base interactions energy: -1409.058 where: short stacking energy: -683.363 Base-Backbone interact. energy: -1.326 local terms energy: -747.328461 where: bonds (distance) C4'-P energy: -150.273 bonds (distance) P-C4' energy: -132.693 flat angles C4'-P-C4' energy: -166.217 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -194.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2143.078647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.078647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.078647 (E_RNA) where: Base-Base interactions energy: -1477.770 where: short stacking energy: -651.852 Base-Backbone interact. energy: -1.568 local terms energy: -663.740534 where: bonds (distance) C4'-P energy: -117.408 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -138.312 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -162.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1766.922864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.922864 (E_RNA) where: Base-Base interactions energy: -1179.309 where: short stacking energy: -512.247 Base-Backbone interact. energy: -1.202 local terms energy: -586.411373 where: bonds (distance) C4'-P energy: -120.427 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -133.533 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -110.495 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: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1684.283752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.283752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.283752 (E_RNA) where: Base-Base interactions energy: -1082.388 where: short stacking energy: -508.155 Base-Backbone interact. energy: -0.719 local terms energy: -601.176233 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -128.283 flat angles C4'-P-C4' energy: -131.221 flat angles P-C4'-P energy: -89.587 tors. eta vs tors. theta energy: -134.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1396.288846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.288846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.288846 (E_RNA) where: Base-Base interactions energy: -835.086 where: short stacking energy: -409.201 Base-Backbone interact. energy: -1.971 local terms energy: -559.231004 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -134.043 flat angles C4'-P-C4' energy: -124.037 flat angles P-C4'-P energy: -84.532 tors. eta vs tors. theta energy: -90.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1217.862702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.862702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.862702 (E_RNA) where: Base-Base interactions energy: -726.910 where: short stacking energy: -359.700 Base-Backbone interact. energy: 1.055 local terms energy: -492.007117 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -129.323 flat angles C4'-P-C4' energy: -126.707 flat angles P-C4'-P energy: -75.184 tors. eta vs tors. theta energy: -63.876 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -995.854034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.854034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.854034 (E_RNA) where: Base-Base interactions energy: -582.444 where: short stacking energy: -294.573 Base-Backbone interact. energy: 1.124 local terms energy: -414.533862 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -114.532 flat angles C4'-P-C4' energy: -108.483 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -20.640 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: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -734.960391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.960391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.960391 (E_RNA) where: Base-Base interactions energy: -335.533 where: short stacking energy: -211.472 Base-Backbone interact. energy: 0.417 local terms energy: -399.844512 where: bonds (distance) C4'-P energy: -126.000 bonds (distance) P-C4' energy: -117.401 flat angles C4'-P-C4' energy: -81.489 flat angles P-C4'-P energy: -63.684 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2453.702740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.702740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.702740 (E_RNA) where: Base-Base interactions energy: -1696.432 where: short stacking energy: -725.757 Base-Backbone interact. energy: 3.056 local terms energy: -760.327199 where: bonds (distance) C4'-P energy: -135.046 bonds (distance) P-C4' energy: -154.546 flat angles C4'-P-C4' energy: -171.670 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -194.701 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2289.924275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.924275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.924275 (E_RNA) where: Base-Base interactions energy: -1549.045 where: short stacking energy: -689.283 Base-Backbone interact. energy: 2.797 local terms energy: -743.676391 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -149.254 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -110.983 tors. eta vs tors. theta energy: -178.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2155.113088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.113088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.113088 (E_RNA) where: Base-Base interactions energy: -1401.726 where: short stacking energy: -702.449 Base-Backbone interact. energy: 3.017 local terms energy: -756.403883 where: bonds (distance) C4'-P energy: -123.085 bonds (distance) P-C4' energy: -148.567 flat angles C4'-P-C4' energy: -171.729 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -208.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2150.068852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.068852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.068852 (E_RNA) where: Base-Base interactions energy: -1437.074 where: short stacking energy: -643.245 Base-Backbone interact. energy: 0.749 local terms energy: -713.743598 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -140.225 flat angles C4'-P-C4' energy: -169.307 flat angles P-C4'-P energy: -97.097 tors. eta vs tors. theta energy: -179.430 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: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1797.089962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.089962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.089962 (E_RNA) where: Base-Base interactions energy: -1181.123 where: short stacking energy: -519.514 Base-Backbone interact. energy: 2.295 local terms energy: -618.261962 where: bonds (distance) C4'-P energy: -133.856 bonds (distance) P-C4' energy: -126.308 flat angles C4'-P-C4' energy: -137.593 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -120.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1664.687969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.687969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.687969 (E_RNA) where: Base-Base interactions energy: -1025.743 where: short stacking energy: -469.642 Base-Backbone interact. energy: -0.371 local terms energy: -638.573983 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -134.083 flat angles C4'-P-C4' energy: -151.381 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -134.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1410.944565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.944565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.944565 (E_RNA) where: Base-Base interactions energy: -869.037 where: short stacking energy: -416.771 Base-Backbone interact. energy: 1.902 local terms energy: -543.809336 where: bonds (distance) C4'-P energy: -123.264 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -128.126 flat angles P-C4'-P energy: -68.421 tors. eta vs tors. theta energy: -81.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1221.972811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.972811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.972811 (E_RNA) where: Base-Base interactions energy: -711.628 where: short stacking energy: -364.456 Base-Backbone interact. energy: -1.459 local terms energy: -508.885426 where: bonds (distance) C4'-P energy: -122.941 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -130.987 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: -42.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1011.887656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.887656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.887656 (E_RNA) where: Base-Base interactions energy: -588.053 where: short stacking energy: -257.035 Base-Backbone interact. energy: -3.118 local terms energy: -420.716182 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -124.201 flat angles C4'-P-C4' energy: -109.747 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: -2.992 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: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -736.089968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.089968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.089968 (E_RNA) where: Base-Base interactions energy: -359.414 where: short stacking energy: -210.964 Base-Backbone interact. energy: 3.044 local terms energy: -379.719950 where: bonds (distance) C4'-P energy: -119.841 bonds (distance) P-C4' energy: -129.007 flat angles C4'-P-C4' energy: -101.745 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: 16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2478.190999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.190999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.190999 (E_RNA) where: Base-Base interactions energy: -1740.163 where: short stacking energy: -753.628 Base-Backbone interact. energy: 6.475 local terms energy: -744.502210 where: bonds (distance) C4'-P energy: -141.764 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -155.386 flat angles P-C4'-P energy: -109.047 tors. eta vs tors. theta energy: -184.773 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: 73 Temperature: 0.950000 Total energy: -2237.327980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.327980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.327980 (E_RNA) where: Base-Base interactions energy: -1514.201 where: short stacking energy: -644.742 Base-Backbone interact. energy: -3.735 local terms energy: -719.392449 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -166.443 flat angles P-C4'-P energy: -96.870 tors. eta vs tors. theta energy: -160.574 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2179.910838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.910838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.910838 (E_RNA) where: Base-Base interactions energy: -1438.347 where: short stacking energy: -678.491 Base-Backbone interact. energy: -2.501 local terms energy: -739.062596 where: bonds (distance) C4'-P energy: -135.573 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -169.385 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -202.209 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: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2157.525137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.525137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.525137 (E_RNA) where: Base-Base interactions energy: -1446.550 where: short stacking energy: -645.178 Base-Backbone interact. energy: 3.485 local terms energy: -714.460077 where: bonds (distance) C4'-P energy: -132.392 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -149.317 flat angles P-C4'-P energy: -112.130 tors. eta vs tors. theta energy: -187.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1722.035546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.035546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.035546 (E_RNA) where: Base-Base interactions energy: -1095.711 where: short stacking energy: -507.752 Base-Backbone interact. energy: -1.175 local terms energy: -625.150035 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -143.961 flat angles C4'-P-C4' energy: -158.415 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -108.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1725.582951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.582951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.582951 (E_RNA) where: Base-Base interactions energy: -1072.663 where: short stacking energy: -533.144 Base-Backbone interact. energy: -3.791 local terms energy: -649.128959 where: bonds (distance) C4'-P energy: -137.419 bonds (distance) P-C4' energy: -142.571 flat angles C4'-P-C4' energy: -139.208 flat angles P-C4'-P energy: -94.840 tors. eta vs tors. theta energy: -135.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1444.912713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.912713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.912713 (E_RNA) where: Base-Base interactions energy: -917.182 where: short stacking energy: -440.313 Base-Backbone interact. energy: -2.739 local terms energy: -524.992108 where: bonds (distance) C4'-P energy: -115.439 bonds (distance) P-C4' energy: -122.370 flat angles C4'-P-C4' energy: -130.945 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -77.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1188.778281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.778281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.778281 (E_RNA) where: Base-Base interactions energy: -717.038 where: short stacking energy: -357.532 Base-Backbone interact. energy: -0.240 local terms energy: -471.500350 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -92.794 flat angles P-C4'-P energy: -66.144 tors. eta vs tors. theta energy: -52.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -954.111261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.111261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.111261 (E_RNA) where: Base-Base interactions energy: -522.257 where: short stacking energy: -262.261 Base-Backbone interact. energy: 1.883 local terms energy: -433.737625 where: bonds (distance) C4'-P energy: -138.515 bonds (distance) P-C4' energy: -121.551 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -67.157 tors. eta vs tors. theta energy: 5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -725.429000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.429000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.429000 (E_RNA) where: Base-Base interactions energy: -368.564 where: short stacking energy: -206.555 Base-Backbone interact. energy: -3.195 local terms energy: -353.669674 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -97.663 flat angles C4'-P-C4' energy: -103.133 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: 15.545 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: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2469.518719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.518719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.518719 (E_RNA) where: Base-Base interactions energy: -1729.220 where: short stacking energy: -726.326 Base-Backbone interact. energy: 6.223 local terms energy: -746.521662 where: bonds (distance) C4'-P energy: -148.933 bonds (distance) P-C4' energy: -142.352 flat angles C4'-P-C4' energy: -160.837 flat angles P-C4'-P energy: -102.401 tors. eta vs tors. theta energy: -191.999 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: 74 Temperature: 0.950000 Total energy: -2249.726711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.726711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.726711 (E_RNA) where: Base-Base interactions energy: -1538.466 where: short stacking energy: -658.276 Base-Backbone interact. energy: -3.031 local terms energy: -708.230332 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -140.463 flat angles C4'-P-C4' energy: -163.460 flat angles P-C4'-P energy: -94.960 tors. eta vs tors. theta energy: -177.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2217.019763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.019763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.019763 (E_RNA) where: Base-Base interactions energy: -1491.575 where: short stacking energy: -670.718 Base-Backbone interact. energy: -2.667 local terms energy: -722.778650 where: bonds (distance) C4'-P energy: -125.435 bonds (distance) P-C4' energy: -137.866 flat angles C4'-P-C4' energy: -169.443 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -189.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2122.067439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.067439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.067439 (E_RNA) where: Base-Base interactions energy: -1416.059 where: short stacking energy: -628.408 Base-Backbone interact. energy: -2.716 local terms energy: -703.292743 where: bonds (distance) C4'-P energy: -133.052 bonds (distance) P-C4' energy: -142.816 flat angles C4'-P-C4' energy: -147.434 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -182.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1754.300977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.300977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.300977 (E_RNA) where: Base-Base interactions energy: -1128.949 where: short stacking energy: -495.813 Base-Backbone interact. energy: -0.374 local terms energy: -624.978041 where: bonds (distance) C4'-P energy: -149.498 bonds (distance) P-C4' energy: -126.797 flat angles C4'-P-C4' energy: -148.449 flat angles P-C4'-P energy: -85.904 tors. eta vs tors. theta energy: -114.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1660.675011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.675011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.675011 (E_RNA) where: Base-Base interactions energy: -1078.009 where: short stacking energy: -528.649 Base-Backbone interact. energy: -0.426 local terms energy: -582.239758 where: bonds (distance) C4'-P energy: -129.839 bonds (distance) P-C4' energy: -135.489 flat angles C4'-P-C4' energy: -126.068 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -130.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1516.091283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.091283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.091283 (E_RNA) where: Base-Base interactions energy: -960.428 where: short stacking energy: -422.808 Base-Backbone interact. energy: 2.600 local terms energy: -558.263477 where: bonds (distance) C4'-P energy: -133.429 bonds (distance) P-C4' energy: -116.421 flat angles C4'-P-C4' energy: -139.403 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -89.281 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: 74 Temperature: 1.250000 Total energy: -1262.110797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.110797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.110797 (E_RNA) where: Base-Base interactions energy: -744.489 where: short stacking energy: -371.616 Base-Backbone interact. energy: -2.175 local terms energy: -515.447088 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -132.339 flat angles P-C4'-P energy: -70.362 tors. eta vs tors. theta energy: -54.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -890.219848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.219848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.219848 (E_RNA) where: Base-Base interactions energy: -467.266 where: short stacking energy: -256.328 Base-Backbone interact. energy: 3.639 local terms energy: -426.592671 where: bonds (distance) C4'-P energy: -126.306 bonds (distance) P-C4' energy: -114.067 flat angles C4'-P-C4' energy: -94.208 flat angles P-C4'-P energy: -82.954 tors. eta vs tors. theta energy: -9.057 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: 74 Temperature: 1.350000 Total energy: -738.749202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.749202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.749202 (E_RNA) where: Base-Base interactions energy: -347.369 where: short stacking energy: -196.514 Base-Backbone interact. energy: 2.965 local terms energy: -394.345345 where: bonds (distance) C4'-P energy: -103.076 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: 11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2523.128229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.128229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.128229 (E_RNA) where: Base-Base interactions energy: -1747.905 where: short stacking energy: -746.461 Base-Backbone interact. energy: -0.027 local terms energy: -775.195649 where: bonds (distance) C4'-P energy: -141.552 bonds (distance) P-C4' energy: -156.969 flat angles C4'-P-C4' energy: -169.505 flat angles P-C4'-P energy: -106.320 tors. eta vs tors. theta energy: -200.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2219.980658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.980658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.980658 (E_RNA) where: Base-Base interactions energy: -1512.075 where: short stacking energy: -621.388 Base-Backbone interact. energy: -2.612 local terms energy: -705.293331 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -152.157 flat angles C4'-P-C4' energy: -157.183 flat angles P-C4'-P energy: -97.355 tors. eta vs tors. theta energy: -165.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2226.324467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.324467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.324467 (E_RNA) where: Base-Base interactions energy: -1473.312 where: short stacking energy: -661.361 Base-Backbone interact. energy: -2.477 local terms energy: -750.535214 where: bonds (distance) C4'-P energy: -156.326 bonds (distance) P-C4' energy: -146.765 flat angles C4'-P-C4' energy: -167.909 flat angles P-C4'-P energy: -103.881 tors. eta vs tors. theta energy: -175.654 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: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2117.185781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.185781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.185781 (E_RNA) where: Base-Base interactions energy: -1383.712 where: short stacking energy: -653.307 Base-Backbone interact. energy: -0.599 local terms energy: -732.874628 where: bonds (distance) C4'-P energy: -137.602 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -149.797 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -189.820 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: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1753.638829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.638829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.638829 (E_RNA) where: Base-Base interactions energy: -1159.854 where: short stacking energy: -497.605 Base-Backbone interact. energy: 1.510 local terms energy: -595.295117 where: bonds (distance) C4'-P energy: -125.245 bonds (distance) P-C4' energy: -129.986 flat angles C4'-P-C4' energy: -134.916 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -119.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1657.574064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.574064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.574064 (E_RNA) where: Base-Base interactions energy: -1082.298 where: short stacking energy: -473.806 Base-Backbone interact. energy: -0.546 local terms energy: -574.730095 where: bonds (distance) C4'-P energy: -117.084 bonds (distance) P-C4' energy: -115.810 flat angles C4'-P-C4' energy: -127.499 flat angles P-C4'-P energy: -95.542 tors. eta vs tors. theta energy: -118.795 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: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1481.132858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.132858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.132858 (E_RNA) where: Base-Base interactions energy: -906.166 where: short stacking energy: -411.977 Base-Backbone interact. energy: -0.750 local terms energy: -574.217446 where: bonds (distance) C4'-P energy: -128.593 bonds (distance) P-C4' energy: -139.581 flat angles C4'-P-C4' energy: -139.337 flat angles P-C4'-P energy: -88.854 tors. eta vs tors. theta energy: -77.853 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: 75 Temperature: 1.250000 Total energy: -1159.267520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.267520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.267520 (E_RNA) where: Base-Base interactions energy: -683.204 where: short stacking energy: -331.237 Base-Backbone interact. energy: 2.969 local terms energy: -479.031762 where: bonds (distance) C4'-P energy: -117.557 bonds (distance) P-C4' energy: -129.183 flat angles C4'-P-C4' energy: -111.100 flat angles P-C4'-P energy: -88.783 tors. eta vs tors. theta energy: -32.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -908.322267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.322267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.322267 (E_RNA) where: Base-Base interactions energy: -461.138 where: short stacking energy: -265.363 Base-Backbone interact. energy: 0.603 local terms energy: -447.786968 where: bonds (distance) C4'-P energy: -101.021 bonds (distance) P-C4' energy: -130.425 flat angles C4'-P-C4' energy: -117.531 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -21.741 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: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -747.348802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.348802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.348802 (E_RNA) where: Base-Base interactions energy: -363.400 where: short stacking energy: -226.791 Base-Backbone interact. energy: -2.507 local terms energy: -381.442370 where: bonds (distance) C4'-P energy: -102.463 bonds (distance) P-C4' energy: -111.547 flat angles C4'-P-C4' energy: -97.218 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -8.323 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: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2509.844408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.844408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.844408 (E_RNA) where: Base-Base interactions energy: -1730.504 where: short stacking energy: -752.835 Base-Backbone interact. energy: -1.780 local terms energy: -777.560593 where: bonds (distance) C4'-P energy: -148.844 bonds (distance) P-C4' energy: -145.468 flat angles C4'-P-C4' energy: -175.420 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -213.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2224.179007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.179007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.179007 (E_RNA) where: Base-Base interactions energy: -1524.289 where: short stacking energy: -627.394 Base-Backbone interact. energy: -2.983 local terms energy: -696.906484 where: bonds (distance) C4'-P energy: -143.983 bonds (distance) P-C4' energy: -138.276 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -160.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2301.361242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.361242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.361242 (E_RNA) where: Base-Base interactions energy: -1544.019 where: short stacking energy: -691.374 Base-Backbone interact. energy: -1.763 local terms energy: -755.579225 where: bonds (distance) C4'-P energy: -145.753 bonds (distance) P-C4' energy: -148.277 flat angles C4'-P-C4' energy: -171.191 flat angles P-C4'-P energy: -102.845 tors. eta vs tors. theta energy: -187.512 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: 76 Temperature: 1.050000 Total energy: -2063.119281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.119281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.119281 (E_RNA) where: Base-Base interactions energy: -1339.483 where: short stacking energy: -611.857 Base-Backbone interact. energy: -2.256 local terms energy: -721.380307 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -129.171 flat angles C4'-P-C4' energy: -147.551 flat angles P-C4'-P energy: -109.917 tors. eta vs tors. theta energy: -189.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1788.669679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.669679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.669679 (E_RNA) where: Base-Base interactions energy: -1212.810 where: short stacking energy: -494.619 Base-Backbone interact. energy: -3.438 local terms energy: -572.421203 where: bonds (distance) C4'-P energy: -102.054 bonds (distance) P-C4' energy: -120.842 flat angles C4'-P-C4' energy: -129.691 flat angles P-C4'-P energy: -91.831 tors. eta vs tors. theta energy: -128.004 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: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1687.281551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.281551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.281551 (E_RNA) where: Base-Base interactions energy: -1099.729 where: short stacking energy: -475.376 Base-Backbone interact. energy: -1.275 local terms energy: -586.278217 where: bonds (distance) C4'-P energy: -113.872 bonds (distance) P-C4' energy: -115.297 flat angles C4'-P-C4' energy: -149.471 flat angles P-C4'-P energy: -79.246 tors. eta vs tors. theta energy: -128.392 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: 76 Temperature: 1.200000 Total energy: -1480.752515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.752515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.752515 (E_RNA) where: Base-Base interactions energy: -920.300 where: short stacking energy: -403.051 Base-Backbone interact. energy: 3.113 local terms energy: -563.565191 where: bonds (distance) C4'-P energy: -128.215 bonds (distance) P-C4' energy: -143.521 flat angles C4'-P-C4' energy: -123.088 flat angles P-C4'-P energy: -94.338 tors. eta vs tors. theta energy: -74.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1160.101068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.101068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.101068 (E_RNA) where: Base-Base interactions energy: -697.673 where: short stacking energy: -315.068 Base-Backbone interact. energy: 3.384 local terms energy: -465.812452 where: bonds (distance) C4'-P energy: -126.165 bonds (distance) P-C4' energy: -119.290 flat angles C4'-P-C4' energy: -130.399 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: -35.924 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: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -930.255269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.255269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.255269 (E_RNA) where: Base-Base interactions energy: -492.013 where: short stacking energy: -242.437 Base-Backbone interact. energy: 2.853 local terms energy: -441.094999 where: bonds (distance) C4'-P energy: -135.251 bonds (distance) P-C4' energy: -113.941 flat angles C4'-P-C4' energy: -126.638 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -9.393 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: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -725.433462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.433462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.433462 (E_RNA) where: Base-Base interactions energy: -332.838 where: short stacking energy: -209.251 Base-Backbone interact. energy: 0.971 local terms energy: -393.565962 where: bonds (distance) C4'-P energy: -110.966 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -95.150 flat angles P-C4'-P energy: -76.911 tors. eta vs tors. theta energy: 8.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2506.122610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.122610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.122610 (E_RNA) where: Base-Base interactions energy: -1715.417 where: short stacking energy: -727.391 Base-Backbone interact. energy: -0.592 local terms energy: -790.113336 where: bonds (distance) C4'-P energy: -144.215 bonds (distance) P-C4' energy: -161.694 flat angles C4'-P-C4' energy: -168.095 flat angles P-C4'-P energy: -108.622 tors. eta vs tors. theta energy: -207.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2383.296877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.296877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.296877 (E_RNA) where: Base-Base interactions energy: -1615.600 where: short stacking energy: -734.515 Base-Backbone interact. energy: -2.765 local terms energy: -764.932459 where: bonds (distance) C4'-P energy: -146.361 bonds (distance) P-C4' energy: -136.853 flat angles C4'-P-C4' energy: -169.592 flat angles P-C4'-P energy: -101.602 tors. eta vs tors. theta energy: -210.524 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: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2184.629815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.629815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.629815 (E_RNA) where: Base-Base interactions energy: -1478.263 where: short stacking energy: -594.905 Base-Backbone interact. energy: -1.753 local terms energy: -704.614546 where: bonds (distance) C4'-P energy: -148.580 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -161.894 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -155.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2089.008329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.008329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.008329 (E_RNA) where: Base-Base interactions energy: -1358.259 where: short stacking energy: -635.040 Base-Backbone interact. energy: -0.504 local terms energy: -730.245031 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -147.000 flat angles C4'-P-C4' energy: -154.963 flat angles P-C4'-P energy: -104.429 tors. eta vs tors. theta energy: -189.948 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: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1820.426492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.426492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.426492 (E_RNA) where: Base-Base interactions energy: -1151.318 where: short stacking energy: -521.972 Base-Backbone interact. energy: 0.600 local terms energy: -669.708027 where: bonds (distance) C4'-P energy: -137.468 bonds (distance) P-C4' energy: -144.855 flat angles C4'-P-C4' energy: -155.071 flat angles P-C4'-P energy: -97.568 tors. eta vs tors. theta energy: -134.747 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1661.192536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.192536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.192536 (E_RNA) where: Base-Base interactions energy: -1062.165 where: short stacking energy: -471.561 Base-Backbone interact. energy: -2.946 local terms energy: -596.082037 where: bonds (distance) C4'-P energy: -140.683 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -127.483 flat angles P-C4'-P energy: -76.683 tors. eta vs tors. theta energy: -107.868 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: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1484.983177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.983177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.983177 (E_RNA) where: Base-Base interactions energy: -937.773 where: short stacking energy: -410.685 Base-Backbone interact. energy: 3.117 local terms energy: -550.327835 where: bonds (distance) C4'-P energy: -112.339 bonds (distance) P-C4' energy: -135.609 flat angles C4'-P-C4' energy: -137.430 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: -86.150 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: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1151.450447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.450447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.450447 (E_RNA) where: Base-Base interactions energy: -707.610 where: short stacking energy: -318.686 Base-Backbone interact. energy: -1.169 local terms energy: -442.671522 where: bonds (distance) C4'-P energy: -137.989 bonds (distance) P-C4' energy: -115.932 flat angles C4'-P-C4' energy: -115.116 flat angles P-C4'-P energy: -43.957 tors. eta vs tors. theta energy: -29.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -835.217099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.217099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.217099 (E_RNA) where: Base-Base interactions energy: -399.355 where: short stacking energy: -239.162 Base-Backbone interact. energy: 0.923 local terms energy: -436.784984 where: bonds (distance) C4'-P energy: -110.458 bonds (distance) P-C4' energy: -130.512 flat angles C4'-P-C4' energy: -121.999 flat angles P-C4'-P energy: -68.823 tors. eta vs tors. theta energy: -4.993 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: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -721.839922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.839922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.839922 (E_RNA) where: Base-Base interactions energy: -291.119 where: short stacking energy: -170.800 Base-Backbone interact. energy: 0.843 local terms energy: -431.563437 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -146.972 flat angles C4'-P-C4' energy: -102.697 flat angles P-C4'-P energy: -64.668 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2502.706961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.706961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.706961 (E_RNA) where: Base-Base interactions energy: -1673.182 where: short stacking energy: -781.829 Base-Backbone interact. energy: -3.987 local terms energy: -825.537408 where: bonds (distance) C4'-P energy: -153.498 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -173.301 flat angles P-C4'-P energy: -115.631 tors. eta vs tors. theta energy: -220.114 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: 2, replica: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2435.948257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.948257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.948257 (E_RNA) where: Base-Base interactions energy: -1648.407 where: short stacking energy: -692.294 Base-Backbone interact. energy: -1.432 local terms energy: -786.109214 where: bonds (distance) C4'-P energy: -149.274 bonds (distance) P-C4' energy: -155.882 flat angles C4'-P-C4' energy: -165.683 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -206.739 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: 78 Temperature: 1.000000 Total energy: -2130.466357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.466357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.466357 (E_RNA) where: Base-Base interactions energy: -1462.984 where: short stacking energy: -579.953 Base-Backbone interact. energy: -4.386 local terms energy: -663.095911 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -137.016 flat angles C4'-P-C4' energy: -149.525 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -150.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2105.416560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.416560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.416560 (E_RNA) where: Base-Base interactions energy: -1397.247 where: short stacking energy: -637.948 Base-Backbone interact. energy: -1.968 local terms energy: -706.201241 where: bonds (distance) C4'-P energy: -136.351 bonds (distance) P-C4' energy: -134.807 flat angles C4'-P-C4' energy: -144.610 flat angles P-C4'-P energy: -106.754 tors. eta vs tors. theta energy: -183.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1844.970457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.970457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.970457 (E_RNA) where: Base-Base interactions energy: -1220.639 where: short stacking energy: -544.354 Base-Backbone interact. energy: 2.440 local terms energy: -626.771879 where: bonds (distance) C4'-P energy: -122.601 bonds (distance) P-C4' energy: -132.515 flat angles C4'-P-C4' energy: -147.901 flat angles P-C4'-P energy: -87.999 tors. eta vs tors. theta energy: -135.755 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: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1693.780447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.780447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.780447 (E_RNA) where: Base-Base interactions energy: -1130.137 where: short stacking energy: -467.862 Base-Backbone interact. energy: -0.600 local terms energy: -563.043327 where: bonds (distance) C4'-P energy: -134.708 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -117.546 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -108.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1530.505641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.505641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.505641 (E_RNA) where: Base-Base interactions energy: -965.755 where: short stacking energy: -462.603 Base-Backbone interact. energy: -3.480 local terms energy: -561.270193 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -130.426 flat angles P-C4'-P energy: -82.196 tors. eta vs tors. theta energy: -101.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1133.261058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.261058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.261058 (E_RNA) where: Base-Base interactions energy: -655.320 where: short stacking energy: -318.198 Base-Backbone interact. energy: -5.562 local terms energy: -472.379000 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -109.842 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -38.737 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: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -867.898559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.898559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.898559 (E_RNA) where: Base-Base interactions energy: -431.106 where: short stacking energy: -281.444 Base-Backbone interact. energy: 4.027 local terms energy: -440.819041 where: bonds (distance) C4'-P energy: -118.844 bonds (distance) P-C4' energy: -133.431 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -19.855 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: 78 Temperature: 1.350000 Total energy: -729.286124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.286124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.286124 (E_RNA) where: Base-Base interactions energy: -322.812 where: short stacking energy: -201.614 Base-Backbone interact. energy: 2.932 local terms energy: -409.405950 where: bonds (distance) C4'-P energy: -117.830 bonds (distance) P-C4' energy: -132.205 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -48.183 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2509.188582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.188582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.188582 (E_RNA) where: Base-Base interactions energy: -1664.057 where: short stacking energy: -768.504 Base-Backbone interact. energy: -2.040 local terms energy: -843.091813 where: bonds (distance) C4'-P energy: -152.895 bonds (distance) P-C4' energy: -164.529 flat angles C4'-P-C4' energy: -160.572 flat angles P-C4'-P energy: -130.166 tors. eta vs tors. theta energy: -234.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2424.833578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.833578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.833578 (E_RNA) where: Base-Base interactions energy: -1687.935 where: short stacking energy: -738.342 Base-Backbone interact. energy: -0.001 local terms energy: -736.897382 where: bonds (distance) C4'-P energy: -132.774 bonds (distance) P-C4' energy: -153.993 flat angles C4'-P-C4' energy: -165.781 flat angles P-C4'-P energy: -86.739 tors. eta vs tors. theta energy: -197.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2123.705860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.705860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.705860 (E_RNA) where: Base-Base interactions energy: -1441.271 where: short stacking energy: -618.605 Base-Backbone interact. energy: -0.190 local terms energy: -682.245234 where: bonds (distance) C4'-P energy: -137.024 bonds (distance) P-C4' energy: -139.945 flat angles C4'-P-C4' energy: -154.587 flat angles P-C4'-P energy: -90.819 tors. eta vs tors. theta energy: -159.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2092.154524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.154524 (E_RNA) where: Base-Base interactions energy: -1362.221 where: short stacking energy: -633.206 Base-Backbone interact. energy: -3.540 local terms energy: -726.393499 where: bonds (distance) C4'-P energy: -141.408 bonds (distance) P-C4' energy: -147.523 flat angles C4'-P-C4' energy: -161.286 flat angles P-C4'-P energy: -100.061 tors. eta vs tors. theta energy: -176.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1840.113890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.113890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.113890 (E_RNA) where: Base-Base interactions energy: -1199.271 where: short stacking energy: -547.559 Base-Backbone interact. energy: -4.244 local terms energy: -636.598268 where: bonds (distance) C4'-P energy: -141.027 bonds (distance) P-C4' energy: -134.503 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -94.816 tors. eta vs tors. theta energy: -133.277 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: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1717.064051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.064051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.064051 (E_RNA) where: Base-Base interactions energy: -1112.483 where: short stacking energy: -465.313 Base-Backbone interact. energy: -1.763 local terms energy: -602.818465 where: bonds (distance) C4'-P energy: -133.094 bonds (distance) P-C4' energy: -140.053 flat angles C4'-P-C4' energy: -130.571 flat angles P-C4'-P energy: -87.651 tors. eta vs tors. theta energy: -111.450 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: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1572.089965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.089965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.089965 (E_RNA) where: Base-Base interactions energy: -1031.875 where: short stacking energy: -455.209 Base-Backbone interact. energy: -1.290 local terms energy: -538.925062 where: bonds (distance) C4'-P energy: -116.701 bonds (distance) P-C4' energy: -121.632 flat angles C4'-P-C4' energy: -136.031 flat angles P-C4'-P energy: -76.560 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: 8, replica: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1255.537025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.537025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.537025 (E_RNA) where: Base-Base interactions energy: -775.990 where: short stacking energy: -365.008 Base-Backbone interact. energy: 5.953 local terms energy: -485.499813 where: bonds (distance) C4'-P energy: -105.869 bonds (distance) P-C4' energy: -125.381 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -73.330 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: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -860.535514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.535514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.535514 (E_RNA) where: Base-Base interactions energy: -462.899 where: short stacking energy: -231.825 Base-Backbone interact. energy: -1.360 local terms energy: -396.275853 where: bonds (distance) C4'-P energy: -120.469 bonds (distance) P-C4' energy: -123.339 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -58.453 tors. eta vs tors. theta energy: 7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -730.194286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.194286 (E_RNA) where: Base-Base interactions energy: -396.905 where: short stacking energy: -221.357 Base-Backbone interact. energy: 2.629 local terms energy: -335.918272 where: bonds (distance) C4'-P energy: -105.512 bonds (distance) P-C4' energy: -114.209 flat angles C4'-P-C4' energy: -84.298 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: 5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2476.618549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.618549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.618549 (E_RNA) where: Base-Base interactions energy: -1670.789 where: short stacking energy: -751.388 Base-Backbone interact. energy: 0.327 local terms energy: -806.156237 where: bonds (distance) C4'-P energy: -163.737 bonds (distance) P-C4' energy: -152.673 flat angles C4'-P-C4' energy: -171.564 flat angles P-C4'-P energy: -112.636 tors. eta vs tors. theta energy: -205.546 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: 80 Temperature: 0.950000 Total energy: -2419.577583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.577583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.577583 (E_RNA) where: Base-Base interactions energy: -1626.566 where: short stacking energy: -722.215 Base-Backbone interact. energy: -0.256 local terms energy: -792.754931 where: bonds (distance) C4'-P energy: -145.590 bonds (distance) P-C4' energy: -137.044 flat angles C4'-P-C4' energy: -174.466 flat angles P-C4'-P energy: -115.334 tors. eta vs tors. theta energy: -220.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2201.426937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.426937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.426937 (E_RNA) where: Base-Base interactions energy: -1472.622 where: short stacking energy: -679.413 Base-Backbone interact. energy: -0.975 local terms energy: -727.829793 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -130.814 flat angles C4'-P-C4' energy: -172.656 flat angles P-C4'-P energy: -96.094 tors. eta vs tors. theta energy: -192.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2081.477451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.477451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.477451 (E_RNA) where: Base-Base interactions energy: -1405.908 where: short stacking energy: -595.835 Base-Backbone interact. energy: -3.032 local terms energy: -672.537539 where: bonds (distance) C4'-P energy: -139.439 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -149.340 flat angles P-C4'-P energy: -90.742 tors. eta vs tors. theta energy: -159.131 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: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1844.195939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.195939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.195939 (E_RNA) where: Base-Base interactions energy: -1198.893 where: short stacking energy: -546.249 Base-Backbone interact. energy: -2.820 local terms energy: -642.483599 where: bonds (distance) C4'-P energy: -136.567 bonds (distance) P-C4' energy: -138.551 flat angles C4'-P-C4' energy: -141.946 flat angles P-C4'-P energy: -86.225 tors. eta vs tors. theta energy: -139.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1837.818491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.818491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.818491 (E_RNA) where: Base-Base interactions energy: -1226.014 where: short stacking energy: -511.887 Base-Backbone interact. energy: -2.677 local terms energy: -609.126940 where: bonds (distance) C4'-P energy: -123.302 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -150.034 flat angles P-C4'-P energy: -92.294 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1483.839831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.839831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.839831 (E_RNA) where: Base-Base interactions energy: -949.004 where: short stacking energy: -415.602 Base-Backbone interact. energy: 2.683 local terms energy: -537.518728 where: bonds (distance) C4'-P energy: -123.066 bonds (distance) P-C4' energy: -126.224 flat angles C4'-P-C4' energy: -143.431 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -73.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1293.549215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.549215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.549215 (E_RNA) where: Base-Base interactions energy: -797.716 where: short stacking energy: -392.352 Base-Backbone interact. energy: 4.871 local terms energy: -500.704586 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -128.855 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -68.283 tors. eta vs tors. theta energy: -56.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -895.413895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.413895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.413895 (E_RNA) where: Base-Base interactions energy: -453.479 where: short stacking energy: -235.648 Base-Backbone interact. energy: -1.160 local terms energy: -440.775826 where: bonds (distance) C4'-P energy: -117.565 bonds (distance) P-C4' energy: -142.282 flat angles C4'-P-C4' energy: -118.623 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: 1.264 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: 80 Temperature: 1.350000 Total energy: -693.321156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.321156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.321156 (E_RNA) where: Base-Base interactions energy: -319.250 where: short stacking energy: -203.147 Base-Backbone interact. energy: -1.701 local terms energy: -372.370134 where: bonds (distance) C4'-P energy: -117.644 bonds (distance) P-C4' energy: -117.161 flat angles C4'-P-C4' energy: -104.157 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: 12.773 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: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2485.341462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.341462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.341462 (E_RNA) where: Base-Base interactions energy: -1704.205 where: short stacking energy: -747.133 Base-Backbone interact. energy: -2.018 local terms energy: -779.117898 where: bonds (distance) C4'-P energy: -145.132 bonds (distance) P-C4' energy: -156.731 flat angles C4'-P-C4' energy: -161.900 flat angles P-C4'-P energy: -112.343 tors. eta vs tors. theta energy: -203.012 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: 81 Temperature: 0.950000 Total energy: -2391.952883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.952883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.952883 (E_RNA) where: Base-Base interactions energy: -1605.879 where: short stacking energy: -743.005 Base-Backbone interact. energy: -2.166 local terms energy: -783.908106 where: bonds (distance) C4'-P energy: -131.639 bonds (distance) P-C4' energy: -151.160 flat angles C4'-P-C4' energy: -166.139 flat angles P-C4'-P energy: -124.312 tors. eta vs tors. theta energy: -210.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2213.947010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.947010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.947010 (E_RNA) where: Base-Base interactions energy: -1442.884 where: short stacking energy: -680.280 Base-Backbone interact. energy: 3.364 local terms energy: -774.427223 where: bonds (distance) C4'-P energy: -147.466 bonds (distance) P-C4' energy: -159.305 flat angles C4'-P-C4' energy: -164.182 flat angles P-C4'-P energy: -99.092 tors. eta vs tors. theta energy: -204.382 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2078.482115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.482115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.482115 (E_RNA) where: Base-Base interactions energy: -1381.403 where: short stacking energy: -579.976 Base-Backbone interact. energy: -1.496 local terms energy: -695.583413 where: bonds (distance) C4'-P energy: -147.480 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -158.044 flat angles P-C4'-P energy: -106.020 tors. eta vs tors. theta energy: -144.268 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: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1834.048685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.048685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.048685 (E_RNA) where: Base-Base interactions energy: -1198.180 where: short stacking energy: -540.461 Base-Backbone interact. energy: -3.590 local terms energy: -632.278904 where: bonds (distance) C4'-P energy: -142.403 bonds (distance) P-C4' energy: -114.713 flat angles C4'-P-C4' energy: -150.545 flat angles P-C4'-P energy: -98.046 tors. eta vs tors. theta energy: -126.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1742.078501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.078501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.078501 (E_RNA) where: Base-Base interactions energy: -1146.773 where: short stacking energy: -517.060 Base-Backbone interact. energy: -0.959 local terms energy: -594.346821 where: bonds (distance) C4'-P energy: -115.661 bonds (distance) P-C4' energy: -130.205 flat angles C4'-P-C4' energy: -143.123 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -117.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1421.932295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.932295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.932295 (E_RNA) where: Base-Base interactions energy: -861.126 where: short stacking energy: -383.703 Base-Backbone interact. energy: -3.905 local terms energy: -556.902150 where: bonds (distance) C4'-P energy: -127.856 bonds (distance) P-C4' energy: -143.444 flat angles C4'-P-C4' energy: -140.589 flat angles P-C4'-P energy: -87.771 tors. eta vs tors. theta energy: -57.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1351.071582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.071582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.071582 (E_RNA) where: Base-Base interactions energy: -809.307 where: short stacking energy: -358.230 Base-Backbone interact. energy: 1.774 local terms energy: -543.539305 where: bonds (distance) C4'-P energy: -135.921 bonds (distance) P-C4' energy: -136.028 flat angles C4'-P-C4' energy: -134.514 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: -64.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -884.096866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.096866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.096866 (E_RNA) where: Base-Base interactions energy: -423.140 where: short stacking energy: -224.647 Base-Backbone interact. energy: 4.738 local terms energy: -465.694989 where: bonds (distance) C4'-P energy: -133.931 bonds (distance) P-C4' energy: -130.457 flat angles C4'-P-C4' energy: -118.590 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -15.596 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: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -714.101217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.101217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.101217 (E_RNA) where: Base-Base interactions energy: -317.640 where: short stacking energy: -197.933 Base-Backbone interact. energy: -2.808 local terms energy: -393.653012 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -123.371 flat angles C4'-P-C4' energy: -105.676 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: 25.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2489.239588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.239588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.239588 (E_RNA) where: Base-Base interactions energy: -1675.232 where: short stacking energy: -767.874 Base-Backbone interact. energy: 0.594 local terms energy: -814.601682 where: bonds (distance) C4'-P energy: -144.498 bonds (distance) P-C4' energy: -162.277 flat angles C4'-P-C4' energy: -175.984 flat angles P-C4'-P energy: -123.561 tors. eta vs tors. theta energy: -208.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2453.148261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.148261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.148261 (E_RNA) where: Base-Base interactions energy: -1632.932 where: short stacking energy: -740.672 Base-Backbone interact. energy: -3.092 local terms energy: -817.124165 where: bonds (distance) C4'-P energy: -158.661 bonds (distance) P-C4' energy: -142.317 flat angles C4'-P-C4' energy: -178.994 flat angles P-C4'-P energy: -121.770 tors. eta vs tors. theta energy: -215.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2223.725029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.725029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.725029 (E_RNA) where: Base-Base interactions energy: -1479.267 where: short stacking energy: -717.344 Base-Backbone interact. energy: 0.236 local terms energy: -744.694646 where: bonds (distance) C4'-P energy: -144.058 bonds (distance) P-C4' energy: -134.348 flat angles C4'-P-C4' energy: -162.304 flat angles P-C4'-P energy: -94.332 tors. eta vs tors. theta energy: -209.653 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: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2065.675971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.675971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.675971 (E_RNA) where: Base-Base interactions energy: -1375.882 where: short stacking energy: -598.545 Base-Backbone interact. energy: -3.520 local terms energy: -686.273389 where: bonds (distance) C4'-P energy: -130.797 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -158.740 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -164.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1807.198020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.198020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.198020 (E_RNA) where: Base-Base interactions energy: -1185.155 where: short stacking energy: -532.396 Base-Backbone interact. energy: -2.363 local terms energy: -619.679856 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -134.806 flat angles C4'-P-C4' energy: -134.184 flat angles P-C4'-P energy: -96.356 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: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1717.085198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.085198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.085198 (E_RNA) where: Base-Base interactions energy: -1142.275 where: short stacking energy: -489.070 Base-Backbone interact. energy: -1.257 local terms energy: -573.552348 where: bonds (distance) C4'-P energy: -128.839 bonds (distance) P-C4' energy: -133.512 flat angles C4'-P-C4' energy: -133.564 flat angles P-C4'-P energy: -78.716 tors. eta vs tors. theta energy: -98.920 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: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1335.570502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.570502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.570502 (E_RNA) where: Base-Base interactions energy: -796.769 where: short stacking energy: -388.651 Base-Backbone interact. energy: 0.595 local terms energy: -539.396555 where: bonds (distance) C4'-P energy: -132.981 bonds (distance) P-C4' energy: -120.834 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -72.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1334.630553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.630553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.630553 (E_RNA) where: Base-Base interactions energy: -837.754 where: short stacking energy: -371.635 Base-Backbone interact. energy: -3.827 local terms energy: -493.049672 where: bonds (distance) C4'-P energy: -120.705 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -119.464 flat angles P-C4'-P energy: -73.735 tors. eta vs tors. theta energy: -69.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -892.111403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.111403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.111403 (E_RNA) where: Base-Base interactions energy: -455.792 where: short stacking energy: -241.591 Base-Backbone interact. energy: 1.453 local terms energy: -437.771909 where: bonds (distance) C4'-P energy: -118.985 bonds (distance) P-C4' energy: -129.699 flat angles C4'-P-C4' energy: -98.562 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -731.965457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.965457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.965457 (E_RNA) where: Base-Base interactions energy: -298.123 where: short stacking energy: -180.151 Base-Backbone interact. energy: -1.982 local terms energy: -431.860607 where: bonds (distance) C4'-P energy: -124.835 bonds (distance) P-C4' energy: -130.005 flat angles C4'-P-C4' energy: -107.249 flat angles P-C4'-P energy: -79.891 tors. eta vs tors. theta energy: 10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2505.809156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.809156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.809156 (E_RNA) where: Base-Base interactions energy: -1711.354 where: short stacking energy: -748.916 Base-Backbone interact. energy: 4.624 local terms energy: -799.078672 where: bonds (distance) C4'-P energy: -154.547 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -166.874 flat angles P-C4'-P energy: -114.679 tors. eta vs tors. theta energy: -212.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2433.184179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.184179 (E_RNA) where: Base-Base interactions energy: -1647.410 where: short stacking energy: -742.195 Base-Backbone interact. energy: -4.175 local terms energy: -781.598965 where: bonds (distance) C4'-P energy: -148.475 bonds (distance) P-C4' energy: -144.215 flat angles C4'-P-C4' energy: -167.537 flat angles P-C4'-P energy: -111.194 tors. eta vs tors. theta energy: -210.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2226.498661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.498661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.498661 (E_RNA) where: Base-Base interactions energy: -1463.679 where: short stacking energy: -694.533 Base-Backbone interact. energy: -1.272 local terms energy: -761.547367 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -146.498 flat angles C4'-P-C4' energy: -161.963 flat angles P-C4'-P energy: -111.707 tors. eta vs tors. theta energy: -212.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2071.845444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.845444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.845444 (E_RNA) where: Base-Base interactions energy: -1395.833 where: short stacking energy: -590.289 Base-Backbone interact. energy: -3.478 local terms energy: -672.534369 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -137.656 flat angles C4'-P-C4' energy: -153.072 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -155.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1843.397374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.397374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.397374 (E_RNA) where: Base-Base interactions energy: -1212.474 where: short stacking energy: -514.231 Base-Backbone interact. energy: -1.194 local terms energy: -629.729143 where: bonds (distance) C4'-P energy: -144.395 bonds (distance) P-C4' energy: -124.185 flat angles C4'-P-C4' energy: -147.024 flat angles P-C4'-P energy: -91.631 tors. eta vs tors. theta energy: -122.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1807.054526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.054526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.054526 (E_RNA) where: Base-Base interactions energy: -1213.797 where: short stacking energy: -540.486 Base-Backbone interact. energy: -4.498 local terms energy: -588.759506 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -126.019 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -120.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1467.894044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.894044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.894044 (E_RNA) where: Base-Base interactions energy: -911.061 where: short stacking energy: -436.145 Base-Backbone interact. energy: 2.834 local terms energy: -559.667201 where: bonds (distance) C4'-P energy: -108.097 bonds (distance) P-C4' energy: -154.721 flat angles C4'-P-C4' energy: -134.370 flat angles P-C4'-P energy: -78.659 tors. eta vs tors. theta energy: -83.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1273.851263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.851263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.851263 (E_RNA) where: Base-Base interactions energy: -769.293 where: short stacking energy: -376.545 Base-Backbone interact. energy: 1.888 local terms energy: -506.446483 where: bonds (distance) C4'-P energy: -118.499 bonds (distance) P-C4' energy: -106.070 flat angles C4'-P-C4' energy: -123.711 flat angles P-C4'-P energy: -85.308 tors. eta vs tors. theta energy: -72.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -920.903950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.903950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.903950 (E_RNA) where: Base-Base interactions energy: -499.317 where: short stacking energy: -267.466 Base-Backbone interact. energy: 0.018 local terms energy: -421.604894 where: bonds (distance) C4'-P energy: -117.022 bonds (distance) P-C4' energy: -134.981 flat angles C4'-P-C4' energy: -89.283 flat angles P-C4'-P energy: -67.687 tors. eta vs tors. theta energy: -12.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -725.252518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.252518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.252518 (E_RNA) where: Base-Base interactions energy: -354.215 where: short stacking energy: -220.425 Base-Backbone interact. energy: 1.594 local terms energy: -372.632077 where: bonds (distance) C4'-P energy: -104.224 bonds (distance) P-C4' energy: -121.429 flat angles C4'-P-C4' energy: -92.338 flat angles P-C4'-P energy: -66.217 tors. eta vs tors. theta energy: 11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2525.877761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.877761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.877761 (E_RNA) where: Base-Base interactions energy: -1734.249 where: short stacking energy: -726.967 Base-Backbone interact. energy: 3.518 local terms energy: -795.147388 where: bonds (distance) C4'-P energy: -143.625 bonds (distance) P-C4' energy: -155.886 flat angles C4'-P-C4' energy: -174.300 flat angles P-C4'-P energy: -119.640 tors. eta vs tors. theta energy: -201.696 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: 84 Temperature: 0.950000 Total energy: -2466.340159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.340159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.340159 (E_RNA) where: Base-Base interactions energy: -1685.651 where: short stacking energy: -769.017 Base-Backbone interact. energy: -3.466 local terms energy: -777.222884 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -179.239 flat angles P-C4'-P energy: -105.045 tors. eta vs tors. theta energy: -210.560 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2223.059347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.059347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.059347 (E_RNA) where: Base-Base interactions energy: -1482.095 where: short stacking energy: -658.095 Base-Backbone interact. energy: 0.619 local terms energy: -741.582376 where: bonds (distance) C4'-P energy: -130.828 bonds (distance) P-C4' energy: -151.728 flat angles C4'-P-C4' energy: -152.256 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -204.080 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: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2079.087546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.087546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.087546 (E_RNA) where: Base-Base interactions energy: -1399.104 where: short stacking energy: -602.631 Base-Backbone interact. energy: -1.664 local terms energy: -678.319663 where: bonds (distance) C4'-P energy: -142.170 bonds (distance) P-C4' energy: -146.974 flat angles C4'-P-C4' energy: -141.934 flat angles P-C4'-P energy: -89.329 tors. eta vs tors. theta energy: -157.913 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: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1910.918517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.918517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.918517 (E_RNA) where: Base-Base interactions energy: -1271.278 where: short stacking energy: -549.005 Base-Backbone interact. energy: -0.449 local terms energy: -639.191150 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -125.411 flat angles C4'-P-C4' energy: -154.721 flat angles P-C4'-P energy: -85.306 tors. eta vs tors. theta energy: -138.991 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: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1831.145800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.145800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.145800 (E_RNA) where: Base-Base interactions energy: -1206.289 where: short stacking energy: -527.907 Base-Backbone interact. energy: 2.762 local terms energy: -627.618927 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -126.745 flat angles C4'-P-C4' energy: -147.420 flat angles P-C4'-P energy: -92.238 tors. eta vs tors. theta energy: -130.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1502.289481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.289481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.289481 (E_RNA) where: Base-Base interactions energy: -931.666 where: short stacking energy: -432.938 Base-Backbone interact. energy: -1.446 local terms energy: -569.176914 where: bonds (distance) C4'-P energy: -105.987 bonds (distance) P-C4' energy: -143.445 flat angles C4'-P-C4' energy: -143.947 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -105.838 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: 84 Temperature: 1.250000 Total energy: -1198.695562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.695562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.695562 (E_RNA) where: Base-Base interactions energy: -733.672 where: short stacking energy: -360.243 Base-Backbone interact. energy: 2.220 local terms energy: -467.242823 where: bonds (distance) C4'-P energy: -118.464 bonds (distance) P-C4' energy: -122.395 flat angles C4'-P-C4' energy: -112.737 flat angles P-C4'-P energy: -73.736 tors. eta vs tors. theta energy: -39.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -935.721543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.721543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.721543 (E_RNA) where: Base-Base interactions energy: -500.408 where: short stacking energy: -293.468 Base-Backbone interact. energy: 0.900 local terms energy: -436.213888 where: bonds (distance) C4'-P energy: -101.841 bonds (distance) P-C4' energy: -126.801 flat angles C4'-P-C4' energy: -123.811 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -19.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -748.722719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.722719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.722719 (E_RNA) where: Base-Base interactions energy: -354.997 where: short stacking energy: -228.555 Base-Backbone interact. energy: 1.158 local terms energy: -394.884269 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -124.964 flat angles C4'-P-C4' energy: -106.656 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -9.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2530.686206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.686206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.686206 (E_RNA) where: Base-Base interactions energy: -1713.602 where: short stacking energy: -725.131 Base-Backbone interact. energy: -0.515 local terms energy: -816.569277 where: bonds (distance) C4'-P energy: -159.237 bonds (distance) P-C4' energy: -154.370 flat angles C4'-P-C4' energy: -176.526 flat angles P-C4'-P energy: -119.058 tors. eta vs tors. theta energy: -207.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2453.077253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.077253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.077253 (E_RNA) where: Base-Base interactions energy: -1659.986 where: short stacking energy: -712.786 Base-Backbone interact. energy: -3.060 local terms energy: -790.030985 where: bonds (distance) C4'-P energy: -146.640 bonds (distance) P-C4' energy: -155.702 flat angles C4'-P-C4' energy: -169.390 flat angles P-C4'-P energy: -113.890 tors. eta vs tors. theta energy: -204.409 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: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2211.222182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.222182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.222182 (E_RNA) where: Base-Base interactions energy: -1468.176 where: short stacking energy: -673.123 Base-Backbone interact. energy: -3.990 local terms energy: -739.055885 where: bonds (distance) C4'-P energy: -134.076 bonds (distance) P-C4' energy: -138.154 flat angles C4'-P-C4' energy: -156.866 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -198.701 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: 85 Temperature: 1.050000 Total energy: -1993.889140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.889140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.889140 (E_RNA) where: Base-Base interactions energy: -1369.164 where: short stacking energy: -581.382 Base-Backbone interact. energy: -1.692 local terms energy: -623.033847 where: bonds (distance) C4'-P energy: -119.838 bonds (distance) P-C4' energy: -142.544 flat angles C4'-P-C4' energy: -138.009 flat angles P-C4'-P energy: -87.277 tors. eta vs tors. theta energy: -135.365 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: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1891.601527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.601527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.601527 (E_RNA) where: Base-Base interactions energy: -1256.422 where: short stacking energy: -549.840 Base-Backbone interact. energy: -1.294 local terms energy: -633.885175 where: bonds (distance) C4'-P energy: -127.880 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -136.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1824.297747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.297747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.297747 (E_RNA) where: Base-Base interactions energy: -1204.284 where: short stacking energy: -530.895 Base-Backbone interact. energy: -2.935 local terms energy: -617.078995 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -135.363 flat angles C4'-P-C4' energy: -124.308 flat angles P-C4'-P energy: -83.994 tors. eta vs tors. theta energy: -132.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1502.826963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.826963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.826963 (E_RNA) where: Base-Base interactions energy: -946.284 where: short stacking energy: -443.443 Base-Backbone interact. energy: -1.587 local terms energy: -554.956216 where: bonds (distance) C4'-P energy: -123.875 bonds (distance) P-C4' energy: -126.134 flat angles C4'-P-C4' energy: -139.053 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -97.300 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: 85 Temperature: 1.250000 Total energy: -1161.236857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.236857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.236857 (E_RNA) where: Base-Base interactions energy: -683.736 where: short stacking energy: -312.335 Base-Backbone interact. energy: 2.136 local terms energy: -479.637199 where: bonds (distance) C4'-P energy: -125.518 bonds (distance) P-C4' energy: -138.155 flat angles C4'-P-C4' energy: -107.452 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -24.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -897.443706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.443706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.443706 (E_RNA) where: Base-Base interactions energy: -479.114 where: short stacking energy: -267.268 Base-Backbone interact. energy: -0.841 local terms energy: -417.488800 where: bonds (distance) C4'-P energy: -104.564 bonds (distance) P-C4' energy: -122.085 flat angles C4'-P-C4' energy: -122.497 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -13.569 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: 85 Temperature: 1.350000 Total energy: -899.483888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.483888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.483888 (E_RNA) where: Base-Base interactions energy: -461.965 where: short stacking energy: -247.561 Base-Backbone interact. energy: -4.229 local terms energy: -433.289897 where: bonds (distance) C4'-P energy: -113.816 bonds (distance) P-C4' energy: -110.816 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2548.623965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.623965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.623965 (E_RNA) where: Base-Base interactions energy: -1770.036 where: short stacking energy: -749.410 Base-Backbone interact. energy: 2.638 local terms energy: -781.226428 where: bonds (distance) C4'-P energy: -137.649 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -165.052 flat angles P-C4'-P energy: -116.142 tors. eta vs tors. theta energy: -206.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2431.723384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.723384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.723384 (E_RNA) where: Base-Base interactions energy: -1629.611 where: short stacking energy: -742.685 Base-Backbone interact. energy: 0.038 local terms energy: -802.150323 where: bonds (distance) C4'-P energy: -152.660 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -188.516 flat angles P-C4'-P energy: -103.316 tors. eta vs tors. theta energy: -216.037 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: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2210.753310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.753310 (E_RNA) where: Base-Base interactions energy: -1468.962 where: short stacking energy: -637.483 Base-Backbone interact. energy: -1.040 local terms energy: -740.751305 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -145.797 flat angles C4'-P-C4' energy: -163.781 flat angles P-C4'-P energy: -107.673 tors. eta vs tors. theta energy: -197.729 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: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2018.815140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.815140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.815140 (E_RNA) where: Base-Base interactions energy: -1358.069 where: short stacking energy: -570.505 Base-Backbone interact. energy: -1.014 local terms energy: -659.731218 where: bonds (distance) C4'-P energy: -137.348 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -150.061 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -140.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1892.226261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.226261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.226261 (E_RNA) where: Base-Base interactions energy: -1269.420 where: short stacking energy: -549.004 Base-Backbone interact. energy: -2.666 local terms energy: -620.140811 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -141.270 flat angles C4'-P-C4' energy: -130.121 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -133.653 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: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1836.396305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.396305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.396305 (E_RNA) where: Base-Base interactions energy: -1241.478 where: short stacking energy: -544.015 Base-Backbone interact. energy: -2.412 local terms energy: -592.507099 where: bonds (distance) C4'-P energy: -106.608 bonds (distance) P-C4' energy: -133.627 flat angles C4'-P-C4' energy: -134.415 flat angles P-C4'-P energy: -79.617 tors. eta vs tors. theta energy: -138.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1491.624726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.624726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.624726 (E_RNA) where: Base-Base interactions energy: -947.340 where: short stacking energy: -421.412 Base-Backbone interact. energy: -4.466 local terms energy: -539.818191 where: bonds (distance) C4'-P energy: -124.215 bonds (distance) P-C4' energy: -124.654 flat angles C4'-P-C4' energy: -120.237 flat angles P-C4'-P energy: -78.660 tors. eta vs tors. theta energy: -92.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1155.984822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.984822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.984822 (E_RNA) where: Base-Base interactions energy: -674.838 where: short stacking energy: -332.754 Base-Backbone interact. energy: 4.526 local terms energy: -485.673243 where: bonds (distance) C4'-P energy: -129.620 bonds (distance) P-C4' energy: -119.016 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -44.390 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -904.190756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.190756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.190756 (E_RNA) where: Base-Base interactions energy: -454.661 where: short stacking energy: -257.800 Base-Backbone interact. energy: 0.792 local terms energy: -450.321446 where: bonds (distance) C4'-P energy: -106.918 bonds (distance) P-C4' energy: -129.915 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -90.722 tors. eta vs tors. theta energy: -11.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -807.488647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.488647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.488647 (E_RNA) where: Base-Base interactions energy: -404.765 where: short stacking energy: -200.401 Base-Backbone interact. energy: -0.072 local terms energy: -402.651516 where: bonds (distance) C4'-P energy: -114.839 bonds (distance) P-C4' energy: -122.268 flat angles C4'-P-C4' energy: -102.622 flat angles P-C4'-P energy: -71.896 tors. eta vs tors. theta energy: 8.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2543.456139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.456139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.456139 (E_RNA) where: Base-Base interactions energy: -1763.275 where: short stacking energy: -728.633 Base-Backbone interact. energy: 7.919 local terms energy: -788.099556 where: bonds (distance) C4'-P energy: -148.685 bonds (distance) P-C4' energy: -158.298 flat angles C4'-P-C4' energy: -167.958 flat angles P-C4'-P energy: -112.671 tors. eta vs tors. theta energy: -200.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2420.662321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.662321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.662321 (E_RNA) where: Base-Base interactions energy: -1661.689 where: short stacking energy: -733.717 Base-Backbone interact. energy: -0.909 local terms energy: -758.064309 where: bonds (distance) C4'-P energy: -129.081 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -162.544 flat angles P-C4'-P energy: -121.726 tors. eta vs tors. theta energy: -209.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2241.001293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.001293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.001293 (E_RNA) where: Base-Base interactions energy: -1456.431 where: short stacking energy: -711.248 Base-Backbone interact. energy: -0.000 local terms energy: -784.570244 where: bonds (distance) C4'-P energy: -150.222 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -104.863 tors. eta vs tors. theta energy: -215.870 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: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2004.683962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.683962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.683962 (E_RNA) where: Base-Base interactions energy: -1337.573 where: short stacking energy: -592.575 Base-Backbone interact. energy: -1.078 local terms energy: -666.033425 where: bonds (distance) C4'-P energy: -134.486 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -152.130 flat angles P-C4'-P energy: -86.887 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: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1873.460992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.460992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.460992 (E_RNA) where: Base-Base interactions energy: -1238.105 where: short stacking energy: -536.556 Base-Backbone interact. energy: -1.532 local terms energy: -633.824892 where: bonds (distance) C4'-P energy: -112.040 bonds (distance) P-C4' energy: -148.438 flat angles C4'-P-C4' energy: -157.636 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -132.029 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: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1791.941313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.941313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.941313 (E_RNA) where: Base-Base interactions energy: -1177.877 where: short stacking energy: -517.768 Base-Backbone interact. energy: -3.190 local terms energy: -610.874163 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -117.894 flat angles C4'-P-C4' energy: -150.856 flat angles P-C4'-P energy: -91.308 tors. eta vs tors. theta energy: -128.402 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: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1521.922482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.922482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.922482 (E_RNA) where: Base-Base interactions energy: -959.724 where: short stacking energy: -436.912 Base-Backbone interact. energy: 5.474 local terms energy: -567.673023 where: bonds (distance) C4'-P energy: -131.904 bonds (distance) P-C4' energy: -123.720 flat angles C4'-P-C4' energy: -134.335 flat angles P-C4'-P energy: -72.333 tors. eta vs tors. theta energy: -105.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1108.149502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.149502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.149502 (E_RNA) where: Base-Base interactions energy: -633.546 where: short stacking energy: -331.608 Base-Backbone interact. energy: -0.290 local terms energy: -474.313154 where: bonds (distance) C4'-P energy: -106.512 bonds (distance) P-C4' energy: -118.255 flat angles C4'-P-C4' energy: -125.530 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -50.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -950.089351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.089351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.089351 (E_RNA) where: Base-Base interactions energy: -556.120 where: short stacking energy: -320.810 Base-Backbone interact. energy: -5.665 local terms energy: -388.304756 where: bonds (distance) C4'-P energy: -104.085 bonds (distance) P-C4' energy: -94.625 flat angles C4'-P-C4' energy: -95.180 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -27.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -767.165452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.165452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.165452 (E_RNA) where: Base-Base interactions energy: -399.186 where: short stacking energy: -240.162 Base-Backbone interact. energy: 1.435 local terms energy: -369.413987 where: bonds (distance) C4'-P energy: -110.544 bonds (distance) P-C4' energy: -114.334 flat angles C4'-P-C4' energy: -88.123 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: 5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2553.198530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.198530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.198530 (E_RNA) where: Base-Base interactions energy: -1759.967 where: short stacking energy: -752.462 Base-Backbone interact. energy: 6.190 local terms energy: -799.422314 where: bonds (distance) C4'-P energy: -148.982 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -176.478 flat angles P-C4'-P energy: -104.225 tors. eta vs tors. theta energy: -212.875 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: 88 Temperature: 0.950000 Total energy: -2458.706137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.706137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.706137 (E_RNA) where: Base-Base interactions energy: -1690.784 where: short stacking energy: -747.128 Base-Backbone interact. energy: -2.883 local terms energy: -765.039473 where: bonds (distance) C4'-P energy: -137.598 bonds (distance) P-C4' energy: -145.468 flat angles C4'-P-C4' energy: -160.153 flat angles P-C4'-P energy: -111.700 tors. eta vs tors. theta energy: -210.120 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: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2197.598163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.598163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.598163 (E_RNA) where: Base-Base interactions energy: -1433.113 where: short stacking energy: -668.649 Base-Backbone interact. energy: -1.361 local terms energy: -763.124063 where: bonds (distance) C4'-P energy: -135.421 bonds (distance) P-C4' energy: -146.277 flat angles C4'-P-C4' energy: -160.669 flat angles P-C4'-P energy: -113.660 tors. eta vs tors. theta energy: -207.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2065.411163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.411163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.411163 (E_RNA) where: Base-Base interactions energy: -1347.221 where: short stacking energy: -628.171 Base-Backbone interact. energy: -1.699 local terms energy: -716.491281 where: bonds (distance) C4'-P energy: -136.507 bonds (distance) P-C4' energy: -132.615 flat angles C4'-P-C4' energy: -162.549 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -180.070 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: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1919.683087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.683087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.683087 (E_RNA) where: Base-Base interactions energy: -1255.965 where: short stacking energy: -594.945 Base-Backbone interact. energy: -1.097 local terms energy: -662.620996 where: bonds (distance) C4'-P energy: -132.577 bonds (distance) P-C4' energy: -131.803 flat angles C4'-P-C4' energy: -159.305 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -140.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1797.652190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.652190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.652190 (E_RNA) where: Base-Base interactions energy: -1189.827 where: short stacking energy: -519.625 Base-Backbone interact. energy: 4.127 local terms energy: -611.951527 where: bonds (distance) C4'-P energy: -133.572 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -140.128 flat angles P-C4'-P energy: -84.483 tors. eta vs tors. theta energy: -116.999 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: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1582.676019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.676019 (E_RNA) where: Base-Base interactions energy: -1029.673 where: short stacking energy: -497.044 Base-Backbone interact. energy: -0.348 local terms energy: -552.655545 where: bonds (distance) C4'-P energy: -109.793 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -129.463 flat angles P-C4'-P energy: -90.498 tors. eta vs tors. theta energy: -104.291 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: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1148.887489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.887489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.887489 (E_RNA) where: Base-Base interactions energy: -681.346 where: short stacking energy: -358.912 Base-Backbone interact. energy: -0.489 local terms energy: -467.052460 where: bonds (distance) C4'-P energy: -109.344 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -117.383 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -40.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -957.693451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.693451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.693451 (E_RNA) where: Base-Base interactions energy: -494.515 where: short stacking energy: -301.825 Base-Backbone interact. energy: -1.398 local terms energy: -461.781092 where: bonds (distance) C4'-P energy: -125.530 bonds (distance) P-C4' energy: -111.437 flat angles C4'-P-C4' energy: -116.762 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -21.617 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -797.170922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.170922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.170922 (E_RNA) where: Base-Base interactions energy: -407.994 where: short stacking energy: -211.534 Base-Backbone interact. energy: -1.212 local terms energy: -387.965198 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -108.650 flat angles C4'-P-C4' energy: -117.270 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -3.790 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: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2566.457358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.457358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.457358 (E_RNA) where: Base-Base interactions energy: -1804.295 where: short stacking energy: -751.131 Base-Backbone interact. energy: 3.357 local terms energy: -765.519445 where: bonds (distance) C4'-P energy: -141.113 bonds (distance) P-C4' energy: -141.661 flat angles C4'-P-C4' energy: -172.987 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -210.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2477.083240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.083240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.083240 (E_RNA) where: Base-Base interactions energy: -1670.255 where: short stacking energy: -769.847 Base-Backbone interact. energy: -5.456 local terms energy: -801.372545 where: bonds (distance) C4'-P energy: -128.766 bonds (distance) P-C4' energy: -160.976 flat angles C4'-P-C4' energy: -179.233 flat angles P-C4'-P energy: -115.490 tors. eta vs tors. theta energy: -216.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2181.621050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.621050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.621050 (E_RNA) where: Base-Base interactions energy: -1438.505 where: short stacking energy: -647.686 Base-Backbone interact. energy: -1.593 local terms energy: -741.522457 where: bonds (distance) C4'-P energy: -146.277 bonds (distance) P-C4' energy: -130.293 flat angles C4'-P-C4' energy: -157.255 flat angles P-C4'-P energy: -107.891 tors. eta vs tors. theta energy: -199.806 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: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2055.117430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.117430 (E_RNA) where: Base-Base interactions energy: -1374.908 where: short stacking energy: -625.340 Base-Backbone interact. energy: -3.154 local terms energy: -677.054817 where: bonds (distance) C4'-P energy: -132.677 bonds (distance) P-C4' energy: -133.692 flat angles C4'-P-C4' energy: -147.083 flat angles P-C4'-P energy: -91.321 tors. eta vs tors. theta energy: -172.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1821.276006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.276006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.276006 (E_RNA) where: Base-Base interactions energy: -1202.259 where: short stacking energy: -522.912 Base-Backbone interact. energy: -3.418 local terms energy: -615.598983 where: bonds (distance) C4'-P energy: -124.186 bonds (distance) P-C4' energy: -132.701 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -86.225 tors. eta vs tors. theta energy: -122.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1751.895123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.895123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.895123 (E_RNA) where: Base-Base interactions energy: -1148.866 where: short stacking energy: -491.791 Base-Backbone interact. energy: 4.627 local terms energy: -607.655767 where: bonds (distance) C4'-P energy: -125.745 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -147.980 flat angles P-C4'-P energy: -90.247 tors. eta vs tors. theta energy: -114.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1573.421314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.421314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.421314 (E_RNA) where: Base-Base interactions energy: -996.475 where: short stacking energy: -458.608 Base-Backbone interact. energy: 0.482 local terms energy: -577.428160 where: bonds (distance) C4'-P energy: -124.534 bonds (distance) P-C4' energy: -141.179 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -102.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1139.091547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.091547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.091547 (E_RNA) where: Base-Base interactions energy: -662.497 where: short stacking energy: -328.792 Base-Backbone interact. energy: 4.347 local terms energy: -480.942243 where: bonds (distance) C4'-P energy: -126.078 bonds (distance) P-C4' energy: -137.089 flat angles C4'-P-C4' energy: -128.206 flat angles P-C4'-P energy: -67.954 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -892.949421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.949421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.949421 (E_RNA) where: Base-Base interactions energy: -436.926 where: short stacking energy: -266.366 Base-Backbone interact. energy: -0.010 local terms energy: -456.013670 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -136.497 flat angles C4'-P-C4' energy: -97.133 flat angles P-C4'-P energy: -76.146 tors. eta vs tors. theta energy: -23.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -759.568360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.568360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.568360 (E_RNA) where: Base-Base interactions energy: -364.383 where: short stacking energy: -206.302 Base-Backbone interact. energy: 2.480 local terms energy: -397.665128 where: bonds (distance) C4'-P energy: -104.123 bonds (distance) P-C4' energy: -121.642 flat angles C4'-P-C4' energy: -103.087 flat angles P-C4'-P energy: -67.607 tors. eta vs tors. theta energy: -1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2562.711882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.711882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.711882 (E_RNA) where: Base-Base interactions energy: -1783.235 where: short stacking energy: -737.271 Base-Backbone interact. energy: 1.809 local terms energy: -781.286514 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -168.904 flat angles C4'-P-C4' energy: -166.948 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -205.624 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: 90 Temperature: 0.950000 Total energy: -2466.369468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.369468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.369468 (E_RNA) where: Base-Base interactions energy: -1709.987 where: short stacking energy: -736.944 Base-Backbone interact. energy: -0.764 local terms energy: -755.619333 where: bonds (distance) C4'-P energy: -143.766 bonds (distance) P-C4' energy: -139.228 flat angles C4'-P-C4' energy: -160.529 flat angles P-C4'-P energy: -104.762 tors. eta vs tors. theta energy: -207.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2216.377796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.377796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.377796 (E_RNA) where: Base-Base interactions energy: -1463.902 where: short stacking energy: -678.469 Base-Backbone interact. energy: -0.398 local terms energy: -752.077018 where: bonds (distance) C4'-P energy: -154.935 bonds (distance) P-C4' energy: -152.072 flat angles C4'-P-C4' energy: -157.041 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -202.518 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: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2056.611040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.611040 (E_RNA) where: Base-Base interactions energy: -1377.386 where: short stacking energy: -623.723 Base-Backbone interact. energy: -1.868 local terms energy: -677.357301 where: bonds (distance) C4'-P energy: -131.646 bonds (distance) P-C4' energy: -132.847 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -98.465 tors. eta vs tors. theta energy: -165.260 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: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1936.017199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.017199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.017199 (E_RNA) where: Base-Base interactions energy: -1299.088 where: short stacking energy: -575.541 Base-Backbone interact. energy: -2.272 local terms energy: -634.657898 where: bonds (distance) C4'-P energy: -135.953 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -135.742 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -150.608 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: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1803.539811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.539811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.539811 (E_RNA) where: Base-Base interactions energy: -1188.257 where: short stacking energy: -526.696 Base-Backbone interact. energy: 1.731 local terms energy: -617.013816 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -141.557 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -115.676 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: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1528.935457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.935457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.935457 (E_RNA) where: Base-Base interactions energy: -985.715 where: short stacking energy: -456.658 Base-Backbone interact. energy: 0.998 local terms energy: -544.218801 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -133.218 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -74.541 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: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1172.399515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.399515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.399515 (E_RNA) where: Base-Base interactions energy: -686.752 where: short stacking energy: -342.367 Base-Backbone interact. energy: -1.904 local terms energy: -483.743373 where: bonds (distance) C4'-P energy: -123.089 bonds (distance) P-C4' energy: -121.072 flat angles C4'-P-C4' energy: -126.909 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -56.374 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: 90 Temperature: 1.300000 Total energy: -923.716791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.716791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.716791 (E_RNA) where: Base-Base interactions energy: -484.910 where: short stacking energy: -290.292 Base-Backbone interact. energy: 0.936 local terms energy: -439.742534 where: bonds (distance) C4'-P energy: -111.957 bonds (distance) P-C4' energy: -125.883 flat angles C4'-P-C4' energy: -103.171 flat angles P-C4'-P energy: -70.173 tors. eta vs tors. theta energy: -28.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -781.580580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.580580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.580580 (E_RNA) where: Base-Base interactions energy: -378.252 where: short stacking energy: -240.907 Base-Backbone interact. energy: 1.374 local terms energy: -404.701967 where: bonds (distance) C4'-P energy: -118.540 bonds (distance) P-C4' energy: -135.938 flat angles C4'-P-C4' energy: -95.589 flat angles P-C4'-P energy: -63.672 tors. eta vs tors. theta energy: 9.037 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: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2568.355874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.355874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.355874 (E_RNA) where: Base-Base interactions energy: -1794.438 where: short stacking energy: -749.262 Base-Backbone interact. energy: 5.372 local terms energy: -779.290427 where: bonds (distance) C4'-P energy: -160.738 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -160.653 flat angles P-C4'-P energy: -105.474 tors. eta vs tors. theta energy: -205.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2463.532458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.532458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.532458 (E_RNA) where: Base-Base interactions energy: -1696.150 where: short stacking energy: -775.269 Base-Backbone interact. energy: -1.050 local terms energy: -766.332634 where: bonds (distance) C4'-P energy: -153.075 bonds (distance) P-C4' energy: -133.066 flat angles C4'-P-C4' energy: -176.677 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -210.187 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: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2188.131588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.131588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.131588 (E_RNA) where: Base-Base interactions energy: -1451.646 where: short stacking energy: -687.751 Base-Backbone interact. energy: 1.869 local terms energy: -738.354100 where: bonds (distance) C4'-P energy: -131.654 bonds (distance) P-C4' energy: -144.630 flat angles C4'-P-C4' energy: -153.758 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -204.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2033.752221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.752221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.752221 (E_RNA) where: Base-Base interactions energy: -1340.444 where: short stacking energy: -613.134 Base-Backbone interact. energy: -3.805 local terms energy: -689.502749 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -146.051 flat angles P-C4'-P energy: -97.882 tors. eta vs tors. theta energy: -172.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1947.105043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.105043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.105043 (E_RNA) where: Base-Base interactions energy: -1293.568 where: short stacking energy: -552.434 Base-Backbone interact. energy: 0.492 local terms energy: -654.029597 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -150.313 flat angles P-C4'-P energy: -90.632 tors. eta vs tors. theta energy: -140.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1839.090823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.090823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.090823 (E_RNA) where: Base-Base interactions energy: -1238.396 where: short stacking energy: -525.701 Base-Backbone interact. energy: 0.900 local terms energy: -601.594890 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -89.495 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: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1542.953957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.953957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.953957 (E_RNA) where: Base-Base interactions energy: -974.056 where: short stacking energy: -438.267 Base-Backbone interact. energy: -0.691 local terms energy: -568.207118 where: bonds (distance) C4'-P energy: -120.313 bonds (distance) P-C4' energy: -138.652 flat angles C4'-P-C4' energy: -131.202 flat angles P-C4'-P energy: -90.009 tors. eta vs tors. theta energy: -88.032 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: 91 Temperature: 1.250000 Total energy: -1213.363380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.363380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.363380 (E_RNA) where: Base-Base interactions energy: -705.950 where: short stacking energy: -348.611 Base-Backbone interact. energy: -2.941 local terms energy: -504.471773 where: bonds (distance) C4'-P energy: -133.641 bonds (distance) P-C4' energy: -140.717 flat angles C4'-P-C4' energy: -115.044 flat angles P-C4'-P energy: -60.479 tors. eta vs tors. theta energy: -54.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -957.947166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.947166 (E_RNA) where: Base-Base interactions energy: -512.777 where: short stacking energy: -270.145 Base-Backbone interact. energy: 1.605 local terms energy: -446.775063 where: bonds (distance) C4'-P energy: -142.105 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -127.854 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -745.916253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.916253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.916253 (E_RNA) where: Base-Base interactions energy: -361.713 where: short stacking energy: -213.264 Base-Backbone interact. energy: -0.830 local terms energy: -383.373128 where: bonds (distance) C4'-P energy: -101.546 bonds (distance) P-C4' energy: -117.414 flat angles C4'-P-C4' energy: -116.136 flat angles P-C4'-P energy: -59.017 tors. eta vs tors. theta energy: 10.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2529.093667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.093667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.093667 (E_RNA) where: Base-Base interactions energy: -1754.640 where: short stacking energy: -717.268 Base-Backbone interact. energy: -0.376 local terms energy: -774.077940 where: bonds (distance) C4'-P energy: -140.780 bonds (distance) P-C4' energy: -154.373 flat angles C4'-P-C4' energy: -160.810 flat angles P-C4'-P energy: -125.269 tors. eta vs tors. theta energy: -192.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2459.112353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.112353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.112353 (E_RNA) where: Base-Base interactions energy: -1677.005 where: short stacking energy: -725.415 Base-Backbone interact. energy: -5.690 local terms energy: -776.416581 where: bonds (distance) C4'-P energy: -142.774 bonds (distance) P-C4' energy: -147.442 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -120.471 tors. eta vs tors. theta energy: -205.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2194.746006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.746006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.746006 (E_RNA) where: Base-Base interactions energy: -1462.397 where: short stacking energy: -653.749 Base-Backbone interact. energy: -2.555 local terms energy: -729.793868 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -167.020 flat angles P-C4'-P energy: -84.275 tors. eta vs tors. theta energy: -197.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2034.673202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.673202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.673202 (E_RNA) where: Base-Base interactions energy: -1369.295 where: short stacking energy: -626.211 Base-Backbone interact. energy: 3.032 local terms energy: -668.410593 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -124.000 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -167.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1884.971178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.971178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.971178 (E_RNA) where: Base-Base interactions energy: -1248.769 where: short stacking energy: -572.567 Base-Backbone interact. energy: 1.040 local terms energy: -637.242021 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -135.316 flat angles C4'-P-C4' energy: -157.773 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -150.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1759.085485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.085485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.085485 (E_RNA) where: Base-Base interactions energy: -1137.914 where: short stacking energy: -490.165 Base-Backbone interact. energy: -0.694 local terms energy: -620.477258 where: bonds (distance) C4'-P energy: -122.036 bonds (distance) P-C4' energy: -135.328 flat angles C4'-P-C4' energy: -140.398 flat angles P-C4'-P energy: -102.951 tors. eta vs tors. theta energy: -119.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1476.065837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.065837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.065837 (E_RNA) where: Base-Base interactions energy: -926.842 where: short stacking energy: -430.997 Base-Backbone interact. energy: -5.035 local terms energy: -544.188801 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -123.488 flat angles C4'-P-C4' energy: -128.469 flat angles P-C4'-P energy: -86.265 tors. eta vs tors. theta energy: -81.686 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: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1229.556189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.556189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.556189 (E_RNA) where: Base-Base interactions energy: -744.560 where: short stacking energy: -371.155 Base-Backbone interact. energy: -0.930 local terms energy: -484.065390 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -123.680 flat angles C4'-P-C4' energy: -146.661 flat angles P-C4'-P energy: -64.118 tors. eta vs tors. theta energy: -49.524 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -963.242272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.242272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.242272 (E_RNA) where: Base-Base interactions energy: -507.850 where: short stacking energy: -290.146 Base-Backbone interact. energy: 5.532 local terms energy: -460.924633 where: bonds (distance) C4'-P energy: -126.980 bonds (distance) P-C4' energy: -122.632 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -76.566 tors. eta vs tors. theta energy: -31.365 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: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -773.169510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.169510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.169510 (E_RNA) where: Base-Base interactions energy: -378.795 where: short stacking energy: -199.596 Base-Backbone interact. energy: 2.082 local terms energy: -396.456706 where: bonds (distance) C4'-P energy: -121.531 bonds (distance) P-C4' energy: -117.165 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -61.665 tors. eta vs tors. theta energy: 12.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2544.291070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.291070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.291070 (E_RNA) where: Base-Base interactions energy: -1764.226 where: short stacking energy: -733.811 Base-Backbone interact. energy: 0.619 local terms energy: -780.684319 where: bonds (distance) C4'-P energy: -167.804 bonds (distance) P-C4' energy: -136.439 flat angles C4'-P-C4' energy: -172.218 flat angles P-C4'-P energy: -107.418 tors. eta vs tors. theta energy: -196.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2493.230041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.230041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.230041 (E_RNA) where: Base-Base interactions energy: -1716.449 where: short stacking energy: -765.313 Base-Backbone interact. energy: -3.519 local terms energy: -773.261589 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -132.630 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -216.590 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: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2248.247505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.247505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.247505 (E_RNA) where: Base-Base interactions energy: -1486.473 where: short stacking energy: -712.414 Base-Backbone interact. energy: -2.247 local terms energy: -759.527402 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -142.897 flat angles C4'-P-C4' energy: -163.973 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -211.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2043.272331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.272331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.272331 (E_RNA) where: Base-Base interactions energy: -1375.574 where: short stacking energy: -628.723 Base-Backbone interact. energy: -1.678 local terms energy: -666.020370 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -119.367 flat angles C4'-P-C4' energy: -151.874 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -172.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1898.646659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.646659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.646659 (E_RNA) where: Base-Base interactions energy: -1239.184 where: short stacking energy: -550.478 Base-Backbone interact. energy: -0.543 local terms energy: -658.919875 where: bonds (distance) C4'-P energy: -127.912 bonds (distance) P-C4' energy: -152.446 flat angles C4'-P-C4' energy: -142.101 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -150.518 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: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1769.129914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.129914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.129914 (E_RNA) where: Base-Base interactions energy: -1183.509 where: short stacking energy: -499.309 Base-Backbone interact. energy: -0.935 local terms energy: -584.686745 where: bonds (distance) C4'-P energy: -123.106 bonds (distance) P-C4' energy: -126.090 flat angles C4'-P-C4' energy: -142.824 flat angles P-C4'-P energy: -81.280 tors. eta vs tors. theta energy: -111.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1488.060245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.060245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.060245 (E_RNA) where: Base-Base interactions energy: -909.393 where: short stacking energy: -419.354 Base-Backbone interact. energy: 2.348 local terms energy: -581.015885 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -126.849 flat angles P-C4'-P energy: -82.458 tors. eta vs tors. theta energy: -97.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1249.515432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.515432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.515432 (E_RNA) where: Base-Base interactions energy: -756.378 where: short stacking energy: -362.840 Base-Backbone interact. energy: -1.145 local terms energy: -491.993147 where: bonds (distance) C4'-P energy: -109.685 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -114.370 flat angles P-C4'-P energy: -77.049 tors. eta vs tors. theta energy: -57.136 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -965.141776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.141776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.141776 (E_RNA) where: Base-Base interactions energy: -534.860 where: short stacking energy: -279.561 Base-Backbone interact. energy: -0.268 local terms energy: -430.013389 where: bonds (distance) C4'-P energy: -110.360 bonds (distance) P-C4' energy: -125.597 flat angles C4'-P-C4' energy: -115.178 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -11.960 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: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -767.214711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.214711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.214711 (E_RNA) where: Base-Base interactions energy: -367.984 where: short stacking energy: -221.548 Base-Backbone interact. energy: 0.651 local terms energy: -399.881625 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -98.678 flat angles P-C4'-P energy: -67.570 tors. eta vs tors. theta energy: 19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2525.895500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.895500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.895500 (E_RNA) where: Base-Base interactions energy: -1715.891 where: short stacking energy: -735.435 Base-Backbone interact. energy: -4.266 local terms energy: -805.737941 where: bonds (distance) C4'-P energy: -142.074 bonds (distance) P-C4' energy: -158.377 flat angles C4'-P-C4' energy: -168.324 flat angles P-C4'-P energy: -117.585 tors. eta vs tors. theta energy: -219.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2499.132696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.132696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.132696 (E_RNA) where: Base-Base interactions energy: -1735.151 where: short stacking energy: -733.025 Base-Backbone interact. energy: -1.463 local terms energy: -762.518078 where: bonds (distance) C4'-P energy: -151.081 bonds (distance) P-C4' energy: -150.261 flat angles C4'-P-C4' energy: -154.132 flat angles P-C4'-P energy: -105.140 tors. eta vs tors. theta energy: -201.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2202.378415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.378415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.378415 (E_RNA) where: Base-Base interactions energy: -1472.538 where: short stacking energy: -713.083 Base-Backbone interact. energy: -2.330 local terms energy: -727.509608 where: bonds (distance) C4'-P energy: -135.123 bonds (distance) P-C4' energy: -130.581 flat angles C4'-P-C4' energy: -161.319 flat angles P-C4'-P energy: -97.170 tors. eta vs tors. theta energy: -203.317 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: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2017.233045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.233045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.233045 (E_RNA) where: Base-Base interactions energy: -1339.669 where: short stacking energy: -604.355 Base-Backbone interact. energy: -1.453 local terms energy: -676.110849 where: bonds (distance) C4'-P energy: -121.985 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -153.792 flat angles P-C4'-P energy: -87.136 tors. eta vs tors. theta energy: -167.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1873.028542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.028542 (E_RNA) where: Base-Base interactions energy: -1220.914 where: short stacking energy: -533.067 Base-Backbone interact. energy: -2.345 local terms energy: -649.769414 where: bonds (distance) C4'-P energy: -123.871 bonds (distance) P-C4' energy: -140.973 flat angles C4'-P-C4' energy: -141.285 flat angles P-C4'-P energy: -97.674 tors. eta vs tors. theta energy: -145.967 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: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1778.165704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.165704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.165704 (E_RNA) where: Base-Base interactions energy: -1165.757 where: short stacking energy: -525.948 Base-Backbone interact. energy: 1.317 local terms energy: -613.725867 where: bonds (distance) C4'-P energy: -131.312 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -143.012 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: -121.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1480.630456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.630456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.630456 (E_RNA) where: Base-Base interactions energy: -911.072 where: short stacking energy: -458.756 Base-Backbone interact. energy: -1.437 local terms energy: -568.121415 where: bonds (distance) C4'-P energy: -114.562 bonds (distance) P-C4' energy: -141.334 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -110.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1236.635597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.635597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.635597 (E_RNA) where: Base-Base interactions energy: -747.981 where: short stacking energy: -359.736 Base-Backbone interact. energy: -1.630 local terms energy: -487.024308 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -126.152 flat angles C4'-P-C4' energy: -104.646 flat angles P-C4'-P energy: -79.902 tors. eta vs tors. theta energy: -60.737 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: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -989.926141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.926141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.926141 (E_RNA) where: Base-Base interactions energy: -546.733 where: short stacking energy: -294.641 Base-Backbone interact. energy: -1.734 local terms energy: -441.458948 where: bonds (distance) C4'-P energy: -114.121 bonds (distance) P-C4' energy: -109.892 flat angles C4'-P-C4' energy: -129.057 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -48.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -790.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.906889 (E_RNA) where: Base-Base interactions energy: -432.745 where: short stacking energy: -228.241 Base-Backbone interact. energy: 1.590 local terms energy: -359.752199 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -64.507 tors. eta vs tors. theta energy: 22.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2550.976758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.976758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.976758 (E_RNA) where: Base-Base interactions energy: -1768.648 where: short stacking energy: -759.835 Base-Backbone interact. energy: -4.102 local terms energy: -778.227158 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -159.215 flat angles P-C4'-P energy: -112.062 tors. eta vs tors. theta energy: -215.144 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: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2501.928357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.928357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.928357 (E_RNA) where: Base-Base interactions energy: -1736.195 where: short stacking energy: -732.831 Base-Backbone interact. energy: -0.865 local terms energy: -764.868189 where: bonds (distance) C4'-P energy: -143.057 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -160.705 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -203.391 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: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2220.550180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.550180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.550180 (E_RNA) where: Base-Base interactions energy: -1476.589 where: short stacking energy: -711.765 Base-Backbone interact. energy: -2.452 local terms energy: -741.508705 where: bonds (distance) C4'-P energy: -119.510 bonds (distance) P-C4' energy: -133.897 flat angles C4'-P-C4' energy: -179.225 flat angles P-C4'-P energy: -103.705 tors. eta vs tors. theta energy: -205.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2105.172911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.172911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.172911 (E_RNA) where: Base-Base interactions energy: -1393.273 where: short stacking energy: -587.327 Base-Backbone interact. energy: 0.562 local terms energy: -712.461135 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -153.007 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -176.338 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: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1869.531157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.531157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.531157 (E_RNA) where: Base-Base interactions energy: -1224.208 where: short stacking energy: -611.804 Base-Backbone interact. energy: 1.762 local terms energy: -647.085573 where: bonds (distance) C4'-P energy: -120.649 bonds (distance) P-C4' energy: -121.697 flat angles C4'-P-C4' energy: -145.977 flat angles P-C4'-P energy: -95.887 tors. eta vs tors. theta energy: -162.875 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: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1792.559410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.559410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.559410 (E_RNA) where: Base-Base interactions energy: -1188.754 where: short stacking energy: -510.167 Base-Backbone interact. energy: -2.157 local terms energy: -601.649232 where: bonds (distance) C4'-P energy: -127.008 bonds (distance) P-C4' energy: -127.248 flat angles C4'-P-C4' energy: -140.469 flat angles P-C4'-P energy: -91.764 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: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1507.120657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.120657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.120657 (E_RNA) where: Base-Base interactions energy: -904.953 where: short stacking energy: -423.977 Base-Backbone interact. energy: -0.175 local terms energy: -601.992388 where: bonds (distance) C4'-P energy: -149.262 bonds (distance) P-C4' energy: -112.294 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -87.747 tors. eta vs tors. theta energy: -107.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1199.615498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.615498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.615498 (E_RNA) where: Base-Base interactions energy: -722.790 where: short stacking energy: -344.793 Base-Backbone interact. energy: 3.379 local terms energy: -480.204248 where: bonds (distance) C4'-P energy: -119.125 bonds (distance) P-C4' energy: -146.479 flat angles C4'-P-C4' energy: -111.289 flat angles P-C4'-P energy: -62.311 tors. eta vs tors. theta energy: -40.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1016.080369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.080369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.080369 (E_RNA) where: Base-Base interactions energy: -554.046 where: short stacking energy: -311.183 Base-Backbone interact. energy: 0.609 local terms energy: -462.643889 where: bonds (distance) C4'-P energy: -111.242 bonds (distance) P-C4' energy: -123.095 flat angles C4'-P-C4' energy: -135.234 flat angles P-C4'-P energy: -72.651 tors. eta vs tors. theta energy: -20.422 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: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -730.979672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.979672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.979672 (E_RNA) where: Base-Base interactions energy: -348.438 where: short stacking energy: -230.350 Base-Backbone interact. energy: 1.805 local terms energy: -384.346839 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -124.976 flat angles C4'-P-C4' energy: -117.732 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: 11.746 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: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2577.723941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.723941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.723941 (E_RNA) where: Base-Base interactions energy: -1760.391 where: short stacking energy: -784.619 Base-Backbone interact. energy: -2.113 local terms energy: -815.219752 where: bonds (distance) C4'-P energy: -148.545 bonds (distance) P-C4' energy: -157.058 flat angles C4'-P-C4' energy: -167.690 flat angles P-C4'-P energy: -120.652 tors. eta vs tors. theta energy: -221.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2513.740093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.740093 (E_RNA) where: Base-Base interactions energy: -1745.954 where: short stacking energy: -726.867 Base-Backbone interact. energy: -5.446 local terms energy: -762.340015 where: bonds (distance) C4'-P energy: -143.596 bonds (distance) P-C4' energy: -146.006 flat angles C4'-P-C4' energy: -171.215 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -191.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2231.403382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.403382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.403382 (E_RNA) where: Base-Base interactions energy: -1510.153 where: short stacking energy: -674.922 Base-Backbone interact. energy: -3.172 local terms energy: -718.078010 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -126.804 flat angles C4'-P-C4' energy: -158.930 flat angles P-C4'-P energy: -110.069 tors. eta vs tors. theta energy: -187.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2068.418005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.418005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.418005 (E_RNA) where: Base-Base interactions energy: -1412.319 where: short stacking energy: -583.466 Base-Backbone interact. energy: 4.541 local terms energy: -660.639541 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -134.347 flat angles C4'-P-C4' energy: -129.892 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -149.057 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: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1811.595782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.595782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.595782 (E_RNA) where: Base-Base interactions energy: -1181.930 where: short stacking energy: -552.123 Base-Backbone interact. energy: -1.443 local terms energy: -628.222051 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -141.350 flat angles C4'-P-C4' energy: -150.526 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -147.841 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: 96 Temperature: 1.150000 Total energy: -1729.263968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.263968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.263968 (E_RNA) where: Base-Base interactions energy: -1143.790 where: short stacking energy: -477.351 Base-Backbone interact. energy: 3.702 local terms energy: -589.176077 where: bonds (distance) C4'-P energy: -133.106 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -135.517 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -99.774 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: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1462.311776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.311776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.311776 (E_RNA) where: Base-Base interactions energy: -896.939 where: short stacking energy: -433.896 Base-Backbone interact. energy: -3.791 local terms energy: -561.581109 where: bonds (distance) C4'-P energy: -118.028 bonds (distance) P-C4' energy: -138.218 flat angles C4'-P-C4' energy: -134.374 flat angles P-C4'-P energy: -94.986 tors. eta vs tors. theta energy: -75.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1218.733000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.733000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.733000 (E_RNA) where: Base-Base interactions energy: -737.520 where: short stacking energy: -337.614 Base-Backbone interact. energy: 6.383 local terms energy: -487.595578 where: bonds (distance) C4'-P energy: -113.532 bonds (distance) P-C4' energy: -133.300 flat angles C4'-P-C4' energy: -122.331 flat angles P-C4'-P energy: -67.382 tors. eta vs tors. theta energy: -51.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1000.865847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.865847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.865847 (E_RNA) where: Base-Base interactions energy: -553.295 where: short stacking energy: -295.355 Base-Backbone interact. energy: -3.177 local terms energy: -444.393364 where: bonds (distance) C4'-P energy: -112.837 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -35.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -769.594673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.594673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.594673 (E_RNA) where: Base-Base interactions energy: -362.517 where: short stacking energy: -222.806 Base-Backbone interact. energy: -0.612 local terms energy: -406.465583 where: bonds (distance) C4'-P energy: -120.130 bonds (distance) P-C4' energy: -98.891 flat angles C4'-P-C4' energy: -113.261 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -4.715 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: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2564.053563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.053563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.053563 (E_RNA) where: Base-Base interactions energy: -1779.944 where: short stacking energy: -761.874 Base-Backbone interact. energy: -3.117 local terms energy: -780.992228 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -155.469 flat angles C4'-P-C4' energy: -174.068 flat angles P-C4'-P energy: -106.031 tors. eta vs tors. theta energy: -211.072 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: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2489.451788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.451788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.451788 (E_RNA) where: Base-Base interactions energy: -1745.092 where: short stacking energy: -711.994 Base-Backbone interact. energy: -0.421 local terms energy: -743.938660 where: bonds (distance) C4'-P energy: -142.074 bonds (distance) P-C4' energy: -148.808 flat angles C4'-P-C4' energy: -166.503 flat angles P-C4'-P energy: -102.792 tors. eta vs tors. theta energy: -183.761 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: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2237.224875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.224875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.224875 (E_RNA) where: Base-Base interactions energy: -1478.508 where: short stacking energy: -689.608 Base-Backbone interact. energy: 0.140 local terms energy: -758.856580 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -160.224 flat angles P-C4'-P energy: -114.253 tors. eta vs tors. theta energy: -196.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2113.324831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.324831 (E_RNA) where: Base-Base interactions energy: -1396.115 where: short stacking energy: -649.930 Base-Backbone interact. energy: -1.516 local terms energy: -715.694389 where: bonds (distance) C4'-P energy: -139.503 bonds (distance) P-C4' energy: -140.556 flat angles C4'-P-C4' energy: -144.677 flat angles P-C4'-P energy: -104.649 tors. eta vs tors. theta energy: -186.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1829.842295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.842295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.842295 (E_RNA) where: Base-Base interactions energy: -1200.420 where: short stacking energy: -538.912 Base-Backbone interact. energy: 0.307 local terms energy: -629.729542 where: bonds (distance) C4'-P energy: -137.186 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -130.788 flat angles P-C4'-P energy: -84.392 tors. eta vs tors. theta energy: -139.676 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1796.812529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.812529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.812529 (E_RNA) where: Base-Base interactions energy: -1170.955 where: short stacking energy: -514.099 Base-Backbone interact. energy: -2.785 local terms energy: -623.072651 where: bonds (distance) C4'-P energy: -116.922 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -149.145 flat angles P-C4'-P energy: -88.951 tors. eta vs tors. theta energy: -129.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1555.664853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.664853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.664853 (E_RNA) where: Base-Base interactions energy: -992.181 where: short stacking energy: -481.680 Base-Backbone interact. energy: -1.217 local terms energy: -562.266510 where: bonds (distance) C4'-P energy: -123.864 bonds (distance) P-C4' energy: -110.416 flat angles C4'-P-C4' energy: -137.190 flat angles P-C4'-P energy: -78.491 tors. eta vs tors. theta energy: -112.306 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: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1335.549772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.549772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.549772 (E_RNA) where: Base-Base interactions energy: -834.871 where: short stacking energy: -379.258 Base-Backbone interact. energy: -3.256 local terms energy: -497.423246 where: bonds (distance) C4'-P energy: -119.021 bonds (distance) P-C4' energy: -111.601 flat angles C4'-P-C4' energy: -116.463 flat angles P-C4'-P energy: -82.137 tors. eta vs tors. theta energy: -68.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1015.425135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.425135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.425135 (E_RNA) where: Base-Base interactions energy: -559.908 where: short stacking energy: -299.675 Base-Backbone interact. energy: 2.476 local terms energy: -457.993037 where: bonds (distance) C4'-P energy: -127.698 bonds (distance) P-C4' energy: -125.234 flat angles C4'-P-C4' energy: -114.337 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: -30.722 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: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -887.311729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.311729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.311729 (E_RNA) where: Base-Base interactions energy: -468.533 where: short stacking energy: -238.735 Base-Backbone interact. energy: 1.082 local terms energy: -419.860500 where: bonds (distance) C4'-P energy: -102.413 bonds (distance) P-C4' energy: -126.676 flat angles C4'-P-C4' energy: -100.508 flat angles P-C4'-P energy: -71.201 tors. eta vs tors. theta energy: -19.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2543.218930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.218930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.218930 (E_RNA) where: Base-Base interactions energy: -1746.752 where: short stacking energy: -752.222 Base-Backbone interact. energy: 0.222 local terms energy: -796.689423 where: bonds (distance) C4'-P energy: -160.530 bonds (distance) P-C4' energy: -157.881 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -103.466 tors. eta vs tors. theta energy: -208.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2496.719267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.719267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.719267 (E_RNA) where: Base-Base interactions energy: -1792.861 where: short stacking energy: -717.701 Base-Backbone interact. energy: -2.787 local terms energy: -701.071251 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -160.836 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -174.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2239.262361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.262361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.262361 (E_RNA) where: Base-Base interactions energy: -1479.055 where: short stacking energy: -710.289 Base-Backbone interact. energy: 2.535 local terms energy: -762.742641 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -168.716 flat angles P-C4'-P energy: -104.130 tors. eta vs tors. theta energy: -212.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2101.930887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.930887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.930887 (E_RNA) where: Base-Base interactions energy: -1421.716 where: short stacking energy: -608.820 Base-Backbone interact. energy: -2.973 local terms energy: -677.242661 where: bonds (distance) C4'-P energy: -116.428 bonds (distance) P-C4' energy: -140.025 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -102.637 tors. eta vs tors. theta energy: -172.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1875.195750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.195750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.195750 (E_RNA) where: Base-Base interactions energy: -1247.222 where: short stacking energy: -564.928 Base-Backbone interact. energy: -0.645 local terms energy: -627.328917 where: bonds (distance) C4'-P energy: -123.345 bonds (distance) P-C4' energy: -122.179 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -81.842 tors. eta vs tors. theta energy: -152.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1757.842680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.842680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.842680 (E_RNA) where: Base-Base interactions energy: -1131.051 where: short stacking energy: -475.775 Base-Backbone interact. energy: -3.907 local terms energy: -622.884985 where: bonds (distance) C4'-P energy: -141.261 bonds (distance) P-C4' energy: -126.538 flat angles C4'-P-C4' energy: -163.452 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -106.344 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1552.450129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.450129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.450129 (E_RNA) where: Base-Base interactions energy: -969.200 where: short stacking energy: -461.512 Base-Backbone interact. energy: -3.299 local terms energy: -579.950913 where: bonds (distance) C4'-P energy: -129.470 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -130.219 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -98.840 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: 98 Temperature: 1.250000 Total energy: -1328.713628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.713628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.713628 (E_RNA) where: Base-Base interactions energy: -831.933 where: short stacking energy: -411.035 Base-Backbone interact. energy: -3.712 local terms energy: -493.068265 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -122.024 flat angles C4'-P-C4' energy: -122.190 flat angles P-C4'-P energy: -85.982 tors. eta vs tors. theta energy: -63.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1040.045144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.045144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.045144 (E_RNA) where: Base-Base interactions energy: -565.978 where: short stacking energy: -303.146 Base-Backbone interact. energy: 5.483 local terms energy: -479.549793 where: bonds (distance) C4'-P energy: -129.469 bonds (distance) P-C4' energy: -123.675 flat angles C4'-P-C4' energy: -122.295 flat angles P-C4'-P energy: -64.270 tors. eta vs tors. theta energy: -39.841 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: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -881.507245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.507245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.507245 (E_RNA) where: Base-Base interactions energy: -471.436 where: short stacking energy: -260.266 Base-Backbone interact. energy: 4.114 local terms energy: -414.184468 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -132.507 flat angles C4'-P-C4' energy: -100.255 flat angles P-C4'-P energy: -59.453 tors. eta vs tors. theta energy: 0.100 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: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2611.752801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.752801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.752801 (E_RNA) where: Base-Base interactions energy: -1790.377 where: short stacking energy: -760.264 Base-Backbone interact. energy: -2.779 local terms energy: -818.596584 where: bonds (distance) C4'-P energy: -153.898 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -174.933 flat angles P-C4'-P energy: -123.013 tors. eta vs tors. theta energy: -214.773 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: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2481.061713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.061713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.061713 (E_RNA) where: Base-Base interactions energy: -1732.693 where: short stacking energy: -713.149 Base-Backbone interact. energy: -2.231 local terms energy: -746.137283 where: bonds (distance) C4'-P energy: -142.742 bonds (distance) P-C4' energy: -145.069 flat angles C4'-P-C4' energy: -158.361 flat angles P-C4'-P energy: -104.936 tors. eta vs tors. theta energy: -195.028 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: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2217.755780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.755780 (E_RNA) where: Base-Base interactions energy: -1446.526 where: short stacking energy: -689.567 Base-Backbone interact. energy: 0.053 local terms energy: -771.282013 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -146.457 flat angles C4'-P-C4' energy: -171.175 flat angles P-C4'-P energy: -99.926 tors. eta vs tors. theta energy: -219.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2101.320379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.320379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.320379 (E_RNA) where: Base-Base interactions energy: -1430.800 where: short stacking energy: -630.001 Base-Backbone interact. energy: 0.627 local terms energy: -671.147922 where: bonds (distance) C4'-P energy: -126.304 bonds (distance) P-C4' energy: -131.942 flat angles C4'-P-C4' energy: -148.031 flat angles P-C4'-P energy: -85.225 tors. eta vs tors. theta energy: -179.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1849.441813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.441813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.441813 (E_RNA) where: Base-Base interactions energy: -1207.261 where: short stacking energy: -541.405 Base-Backbone interact. energy: -1.658 local terms energy: -640.522219 where: bonds (distance) C4'-P energy: -112.186 bonds (distance) P-C4' energy: -140.517 flat angles C4'-P-C4' energy: -157.140 flat angles P-C4'-P energy: -92.118 tors. eta vs tors. theta energy: -138.560 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: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1774.390512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.390512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.390512 (E_RNA) where: Base-Base interactions energy: -1193.786 where: short stacking energy: -520.886 Base-Backbone interact. energy: 1.575 local terms energy: -582.178923 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -133.663 flat angles C4'-P-C4' energy: -111.287 flat angles P-C4'-P energy: -86.411 tors. eta vs tors. theta energy: -108.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1560.857015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.857015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.857015 (E_RNA) where: Base-Base interactions energy: -1005.804 where: short stacking energy: -460.706 Base-Backbone interact. energy: -1.728 local terms energy: -553.325775 where: bonds (distance) C4'-P energy: -111.943 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -133.616 flat angles P-C4'-P energy: -79.029 tors. eta vs tors. theta energy: -99.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1304.133498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.133498 (E_RNA) where: Base-Base interactions energy: -763.587 where: short stacking energy: -344.849 Base-Backbone interact. energy: 4.933 local terms energy: -545.479275 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -138.396 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -86.812 tors. eta vs tors. theta energy: -59.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1074.687013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.687013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.687013 (E_RNA) where: Base-Base interactions energy: -607.824 where: short stacking energy: -284.979 Base-Backbone interact. energy: 2.281 local terms energy: -469.143942 where: bonds (distance) C4'-P energy: -114.917 bonds (distance) P-C4' energy: -143.148 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -19.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -855.599558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.599558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.599558 (E_RNA) where: Base-Base interactions energy: -462.085 where: short stacking energy: -241.717 Base-Backbone interact. energy: 2.587 local terms energy: -396.101446 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -112.873 flat angles C4'-P-C4' energy: -104.856 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -18.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2596.896986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.896986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.896986 (E_RNA) where: Base-Base interactions energy: -1788.473 where: short stacking energy: -759.892 Base-Backbone interact. energy: -3.096 local terms energy: -805.328359 where: bonds (distance) C4'-P energy: -162.917 bonds (distance) P-C4' energy: -143.275 flat angles C4'-P-C4' energy: -164.248 flat angles P-C4'-P energy: -119.751 tors. eta vs tors. theta energy: -215.137 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: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2495.279298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.279298 (E_RNA) where: Base-Base interactions energy: -1742.152 where: short stacking energy: -740.879 Base-Backbone interact. energy: -0.377 local terms energy: -752.750608 where: bonds (distance) C4'-P energy: -126.657 bonds (distance) P-C4' energy: -139.202 flat angles C4'-P-C4' energy: -177.109 flat angles P-C4'-P energy: -114.296 tors. eta vs tors. theta energy: -195.487 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2231.158325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.158325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.158325 (E_RNA) where: Base-Base interactions energy: -1482.607 where: short stacking energy: -668.098 Base-Backbone interact. energy: 3.309 local terms energy: -751.860306 where: bonds (distance) C4'-P energy: -130.399 bonds (distance) P-C4' energy: -143.946 flat angles C4'-P-C4' energy: -160.725 flat angles P-C4'-P energy: -111.687 tors. eta vs tors. theta energy: -205.104 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: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2118.011457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.011457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.011457 (E_RNA) where: Base-Base interactions energy: -1399.234 where: short stacking energy: -622.914 Base-Backbone interact. energy: -2.684 local terms energy: -716.092804 where: bonds (distance) C4'-P energy: -130.386 bonds (distance) P-C4' energy: -145.990 flat angles C4'-P-C4' energy: -154.940 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -180.798 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: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1878.006577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.006577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.006577 (E_RNA) where: Base-Base interactions energy: -1221.448 where: short stacking energy: -584.061 Base-Backbone interact. energy: -2.763 local terms energy: -653.795268 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -124.408 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -152.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1766.419586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.419586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.419586 (E_RNA) where: Base-Base interactions energy: -1178.560 where: short stacking energy: -498.771 Base-Backbone interact. energy: -0.361 local terms energy: -587.499059 where: bonds (distance) C4'-P energy: -115.901 bonds (distance) P-C4' energy: -130.504 flat angles C4'-P-C4' energy: -131.969 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -125.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1528.096433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.096433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.096433 (E_RNA) where: Base-Base interactions energy: -951.828 where: short stacking energy: -414.591 Base-Backbone interact. energy: -0.735 local terms energy: -575.533194 where: bonds (distance) C4'-P energy: -127.530 bonds (distance) P-C4' energy: -140.502 flat angles C4'-P-C4' energy: -134.149 flat angles P-C4'-P energy: -83.335 tors. eta vs tors. theta energy: -90.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1307.115686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.115686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.115686 (E_RNA) where: Base-Base interactions energy: -794.119 where: short stacking energy: -383.497 Base-Backbone interact. energy: -0.978 local terms energy: -512.018428 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -121.114 flat angles C4'-P-C4' energy: -121.156 flat angles P-C4'-P energy: -90.817 tors. eta vs tors. theta energy: -59.935 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1074.731698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.731698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.731698 (E_RNA) where: Base-Base interactions energy: -633.488 where: short stacking energy: -291.770 Base-Backbone interact. energy: -1.167 local terms energy: -440.076966 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -115.917 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -25.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -975.339688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.339688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.339688 (E_RNA) where: Base-Base interactions energy: -554.140 where: short stacking energy: -268.483 Base-Backbone interact. energy: -4.503 local terms energy: -416.696669 where: bonds (distance) C4'-P energy: -124.844 bonds (distance) P-C4' energy: -105.567 flat angles C4'-P-C4' energy: -89.227 flat angles P-C4'-P energy: -69.841 tors. eta vs tors. theta energy: -27.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2556.275955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.275955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.275955 (E_RNA) where: Base-Base interactions energy: -1743.300 where: short stacking energy: -755.143 Base-Backbone interact. energy: -3.267 local terms energy: -809.709019 where: bonds (distance) C4'-P energy: -155.622 bonds (distance) P-C4' energy: -154.057 flat angles C4'-P-C4' energy: -172.685 flat angles P-C4'-P energy: -117.064 tors. eta vs tors. theta energy: -210.281 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: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2492.137994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.137994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.137994 (E_RNA) where: Base-Base interactions energy: -1689.031 where: short stacking energy: -690.513 Base-Backbone interact. energy: -5.463 local terms energy: -797.644047 where: bonds (distance) C4'-P energy: -151.781 bonds (distance) P-C4' energy: -151.909 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -124.283 tors. eta vs tors. theta energy: -200.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2276.595709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.595709 (E_RNA) where: Base-Base interactions energy: -1537.808 where: short stacking energy: -708.512 Base-Backbone interact. energy: -1.807 local terms energy: -736.980902 where: bonds (distance) C4'-P energy: -131.199 bonds (distance) P-C4' energy: -134.031 flat angles C4'-P-C4' energy: -158.587 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -217.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2110.479601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.479601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.479601 (E_RNA) where: Base-Base interactions energy: -1408.771 where: short stacking energy: -593.097 Base-Backbone interact. energy: -4.679 local terms energy: -697.029584 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -157.501 flat angles P-C4'-P energy: -93.714 tors. eta vs tors. theta energy: -162.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1887.765309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.765309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.765309 (E_RNA) where: Base-Base interactions energy: -1236.913 where: short stacking energy: -578.792 Base-Backbone interact. energy: -0.648 local terms energy: -650.205154 where: bonds (distance) C4'-P energy: -138.725 bonds (distance) P-C4' energy: -121.189 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -105.462 tors. eta vs tors. theta energy: -149.833 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: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1736.903909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.903909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.903909 (E_RNA) where: Base-Base interactions energy: -1142.166 where: short stacking energy: -482.571 Base-Backbone interact. energy: 2.247 local terms energy: -596.984932 where: bonds (distance) C4'-P energy: -128.398 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -139.451 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -114.044 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: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1549.620932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.620932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.620932 (E_RNA) where: Base-Base interactions energy: -976.101 where: short stacking energy: -462.867 Base-Backbone interact. energy: -2.385 local terms energy: -571.135498 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -126.952 flat angles C4'-P-C4' energy: -141.169 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -102.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1282.687019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.687019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.687019 (E_RNA) where: Base-Base interactions energy: -804.036 where: short stacking energy: -369.958 Base-Backbone interact. energy: -1.842 local terms energy: -476.808659 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -107.779 flat angles C4'-P-C4' energy: -134.602 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -47.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1065.446299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.446299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.446299 (E_RNA) where: Base-Base interactions energy: -612.431 where: short stacking energy: -327.681 Base-Backbone interact. energy: 1.674 local terms energy: -454.690126 where: bonds (distance) C4'-P energy: -123.302 bonds (distance) P-C4' energy: -101.918 flat angles C4'-P-C4' energy: -121.851 flat angles P-C4'-P energy: -56.654 tors. eta vs tors. theta energy: -50.966 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: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -904.692963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.692963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.692963 (E_RNA) where: Base-Base interactions energy: -501.729 where: short stacking energy: -240.341 Base-Backbone interact. energy: -0.895 local terms energy: -402.068835 where: bonds (distance) C4'-P energy: -113.375 bonds (distance) P-C4' energy: -115.237 flat angles C4'-P-C4' energy: -106.336 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: 7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2598.493497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.493497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.493497 (E_RNA) where: Base-Base interactions energy: -1829.614 where: short stacking energy: -754.824 Base-Backbone interact. energy: -2.159 local terms energy: -766.720740 where: bonds (distance) C4'-P energy: -151.033 bonds (distance) P-C4' energy: -135.688 flat angles C4'-P-C4' energy: -162.688 flat angles P-C4'-P energy: -109.551 tors. eta vs tors. theta energy: -207.760 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: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2503.265581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.265581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.265581 (E_RNA) where: Base-Base interactions energy: -1744.289 where: short stacking energy: -712.989 Base-Backbone interact. energy: -1.850 local terms energy: -757.126615 where: bonds (distance) C4'-P energy: -144.227 bonds (distance) P-C4' energy: -138.083 flat angles C4'-P-C4' energy: -159.727 flat angles P-C4'-P energy: -116.584 tors. eta vs tors. theta energy: -198.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2273.866963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.866963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.866963 (E_RNA) where: Base-Base interactions energy: -1512.727 where: short stacking energy: -708.423 Base-Backbone interact. energy: -1.372 local terms energy: -759.768084 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -142.853 flat angles C4'-P-C4' energy: -156.417 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -221.732 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: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2090.621773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.621773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.621773 (E_RNA) where: Base-Base interactions energy: -1400.991 where: short stacking energy: -600.412 Base-Backbone interact. energy: -1.185 local terms energy: -688.446422 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -144.588 flat angles C4'-P-C4' energy: -147.308 flat angles P-C4'-P energy: -93.109 tors. eta vs tors. theta energy: -164.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1894.501568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.501568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.501568 (E_RNA) where: Base-Base interactions energy: -1259.245 where: short stacking energy: -598.280 Base-Backbone interact. energy: -3.751 local terms energy: -631.505919 where: bonds (distance) C4'-P energy: -109.357 bonds (distance) P-C4' energy: -151.218 flat angles C4'-P-C4' energy: -140.682 flat angles P-C4'-P energy: -81.775 tors. eta vs tors. theta energy: -148.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1770.765020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.765020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.765020 (E_RNA) where: Base-Base interactions energy: -1147.535 where: short stacking energy: -498.356 Base-Backbone interact. energy: -4.474 local terms energy: -618.755576 where: bonds (distance) C4'-P energy: -133.855 bonds (distance) P-C4' energy: -132.781 flat angles C4'-P-C4' energy: -145.942 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -108.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1580.950884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.950884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.950884 (E_RNA) where: Base-Base interactions energy: -1018.259 where: short stacking energy: -486.209 Base-Backbone interact. energy: -0.755 local terms energy: -561.937796 where: bonds (distance) C4'-P energy: -108.460 bonds (distance) P-C4' energy: -127.706 flat angles C4'-P-C4' energy: -136.631 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -118.404 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: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1241.716809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.716809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.716809 (E_RNA) where: Base-Base interactions energy: -739.941 where: short stacking energy: -371.668 Base-Backbone interact. energy: 3.228 local terms energy: -505.004120 where: bonds (distance) C4'-P energy: -122.528 bonds (distance) P-C4' energy: -126.046 flat angles C4'-P-C4' energy: -122.753 flat angles P-C4'-P energy: -77.804 tors. eta vs tors. theta energy: -55.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1079.513282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.513282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.513282 (E_RNA) where: Base-Base interactions energy: -612.907 where: short stacking energy: -332.879 Base-Backbone interact. energy: 1.140 local terms energy: -467.746065 where: bonds (distance) C4'-P energy: -114.383 bonds (distance) P-C4' energy: -130.294 flat angles C4'-P-C4' energy: -103.294 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: -59.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1006.395607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.395607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.395607 (E_RNA) where: Base-Base interactions energy: -547.327 where: short stacking energy: -296.231 Base-Backbone interact. energy: 3.524 local terms energy: -462.592458 where: bonds (distance) C4'-P energy: -113.609 bonds (distance) P-C4' energy: -146.422 flat angles C4'-P-C4' energy: -93.009 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -33.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2583.435826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.435826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.435826 (E_RNA) where: Base-Base interactions energy: -1801.073 where: short stacking energy: -758.614 Base-Backbone interact. energy: -0.742 local terms energy: -781.620386 where: bonds (distance) C4'-P energy: -144.293 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -166.097 flat angles P-C4'-P energy: -119.202 tors. eta vs tors. theta energy: -206.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2511.143487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.143487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.143487 (E_RNA) where: Base-Base interactions energy: -1718.423 where: short stacking energy: -712.506 Base-Backbone interact. energy: -3.901 local terms energy: -788.819460 where: bonds (distance) C4'-P energy: -152.417 bonds (distance) P-C4' energy: -146.813 flat angles C4'-P-C4' energy: -178.333 flat angles P-C4'-P energy: -117.829 tors. eta vs tors. theta energy: -193.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2279.069843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.069843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.069843 (E_RNA) where: Base-Base interactions energy: -1507.612 where: short stacking energy: -717.168 Base-Backbone interact. energy: 1.094 local terms energy: -772.552029 where: bonds (distance) C4'-P energy: -131.578 bonds (distance) P-C4' energy: -156.749 flat angles C4'-P-C4' energy: -165.055 flat angles P-C4'-P energy: -98.494 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: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2075.895467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.895467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.895467 (E_RNA) where: Base-Base interactions energy: -1374.983 where: short stacking energy: -620.380 Base-Backbone interact. energy: -1.996 local terms energy: -698.915822 where: bonds (distance) C4'-P energy: -132.046 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -157.400 flat angles P-C4'-P energy: -110.345 tors. eta vs tors. theta energy: -161.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1870.768911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.768911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.768911 (E_RNA) where: Base-Base interactions energy: -1203.401 where: short stacking energy: -522.427 Base-Backbone interact. energy: -5.653 local terms energy: -661.715088 where: bonds (distance) C4'-P energy: -134.043 bonds (distance) P-C4' energy: -151.382 flat angles C4'-P-C4' energy: -136.944 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -139.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1710.214580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.214580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.214580 (E_RNA) where: Base-Base interactions energy: -1107.927 where: short stacking energy: -516.618 Base-Backbone interact. energy: -2.629 local terms energy: -599.658149 where: bonds (distance) C4'-P energy: -144.149 bonds (distance) P-C4' energy: -118.071 flat angles C4'-P-C4' energy: -124.833 flat angles P-C4'-P energy: -92.374 tors. eta vs tors. theta energy: -120.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1634.884661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.884661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.884661 (E_RNA) where: Base-Base interactions energy: -1070.784 where: short stacking energy: -471.044 Base-Backbone interact. energy: 1.071 local terms energy: -565.170945 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -141.620 flat angles C4'-P-C4' energy: -119.279 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -110.030 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: 103 Temperature: 1.250000 Total energy: -1254.432285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.432285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.432285 (E_RNA) where: Base-Base interactions energy: -758.983 where: short stacking energy: -346.876 Base-Backbone interact. energy: -1.319 local terms energy: -494.130880 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -119.978 flat angles C4'-P-C4' energy: -113.954 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: -46.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1105.903729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.903729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.903729 (E_RNA) where: Base-Base interactions energy: -664.954 where: short stacking energy: -307.234 Base-Backbone interact. energy: -3.897 local terms energy: -437.052668 where: bonds (distance) C4'-P energy: -128.248 bonds (distance) P-C4' energy: -128.442 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -29.897 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: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -995.410029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.410029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.410029 (E_RNA) where: Base-Base interactions energy: -561.731 where: short stacking energy: -297.980 Base-Backbone interact. energy: 2.577 local terms energy: -436.256605 where: bonds (distance) C4'-P energy: -128.289 bonds (distance) P-C4' energy: -119.526 flat angles C4'-P-C4' energy: -110.802 flat angles P-C4'-P energy: -54.320 tors. eta vs tors. theta energy: -23.321 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: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2557.277891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.277891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.277891 (E_RNA) where: Base-Base interactions energy: -1790.027 where: short stacking energy: -730.934 Base-Backbone interact. energy: -3.644 local terms energy: -763.607276 where: bonds (distance) C4'-P energy: -135.479 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -155.885 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -204.223 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: 104 Temperature: 0.950000 Total energy: -2471.217976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.217976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.217976 (E_RNA) where: Base-Base interactions energy: -1708.056 where: short stacking energy: -729.477 Base-Backbone interact. energy: -1.760 local terms energy: -761.401826 where: bonds (distance) C4'-P energy: -147.452 bonds (distance) P-C4' energy: -150.652 flat angles C4'-P-C4' energy: -152.924 flat angles P-C4'-P energy: -111.626 tors. eta vs tors. theta energy: -198.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2240.054141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.054141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.054141 (E_RNA) where: Base-Base interactions energy: -1494.193 where: short stacking energy: -670.852 Base-Backbone interact. energy: -3.086 local terms energy: -742.776010 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -152.273 flat angles P-C4'-P energy: -101.056 tors. eta vs tors. theta energy: -191.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2099.874347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.874347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.874347 (E_RNA) where: Base-Base interactions energy: -1395.795 where: short stacking energy: -616.668 Base-Backbone interact. energy: -0.105 local terms energy: -703.973902 where: bonds (distance) C4'-P energy: -142.467 bonds (distance) P-C4' energy: -145.994 flat angles C4'-P-C4' energy: -143.406 flat angles P-C4'-P energy: -97.677 tors. eta vs tors. theta energy: -174.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1877.968646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.968646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.968646 (E_RNA) where: Base-Base interactions energy: -1226.523 where: short stacking energy: -560.858 Base-Backbone interact. energy: -3.066 local terms energy: -648.378888 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -143.652 flat angles C4'-P-C4' energy: -152.462 flat angles P-C4'-P energy: -85.669 tors. eta vs tors. theta energy: -148.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1710.656231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.656231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.656231 (E_RNA) where: Base-Base interactions energy: -1094.084 where: short stacking energy: -492.330 Base-Backbone interact. energy: 1.461 local terms energy: -618.033067 where: bonds (distance) C4'-P energy: -135.937 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -137.203 flat angles P-C4'-P energy: -90.960 tors. eta vs tors. theta energy: -103.449 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1585.933175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.933175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.933175 (E_RNA) where: Base-Base interactions energy: -1048.126 where: short stacking energy: -483.366 Base-Backbone interact. energy: 2.700 local terms energy: -540.506413 where: bonds (distance) C4'-P energy: -123.844 bonds (distance) P-C4' energy: -107.360 flat angles C4'-P-C4' energy: -136.024 flat angles P-C4'-P energy: -77.153 tors. eta vs tors. theta energy: -96.125 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: 104 Temperature: 1.250000 Total energy: -1301.885119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.885119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.885119 (E_RNA) where: Base-Base interactions energy: -801.313 where: short stacking energy: -371.781 Base-Backbone interact. energy: -1.796 local terms energy: -498.776038 where: bonds (distance) C4'-P energy: -123.101 bonds (distance) P-C4' energy: -127.095 flat angles C4'-P-C4' energy: -121.172 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -61.240 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: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1140.399464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.399464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.399464 (E_RNA) where: Base-Base interactions energy: -662.363 where: short stacking energy: -303.595 Base-Backbone interact. energy: -6.217 local terms energy: -471.819526 where: bonds (distance) C4'-P energy: -123.964 bonds (distance) P-C4' energy: -125.513 flat angles C4'-P-C4' energy: -117.644 flat angles P-C4'-P energy: -73.546 tors. eta vs tors. theta energy: -31.152 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: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1014.863441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.863441 (E_RNA) where: Base-Base interactions energy: -586.930 where: short stacking energy: -306.432 Base-Backbone interact. energy: -1.114 local terms energy: -426.819844 where: bonds (distance) C4'-P energy: -122.543 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -115.573 flat angles P-C4'-P energy: -37.559 tors. eta vs tors. theta energy: -27.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2554.303101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.303101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.303101 (E_RNA) where: Base-Base interactions energy: -1762.421 where: short stacking energy: -728.364 Base-Backbone interact. energy: -2.375 local terms energy: -789.507517 where: bonds (distance) C4'-P energy: -145.515 bonds (distance) P-C4' energy: -152.112 flat angles C4'-P-C4' energy: -169.354 flat angles P-C4'-P energy: -118.403 tors. eta vs tors. theta energy: -204.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2503.413979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.413979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.413979 (E_RNA) where: Base-Base interactions energy: -1710.984 where: short stacking energy: -741.035 Base-Backbone interact. energy: -2.600 local terms energy: -789.829666 where: bonds (distance) C4'-P energy: -149.489 bonds (distance) P-C4' energy: -151.722 flat angles C4'-P-C4' energy: -162.344 flat angles P-C4'-P energy: -110.050 tors. eta vs tors. theta energy: -216.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2242.844213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.844213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.844213 (E_RNA) where: Base-Base interactions energy: -1478.553 where: short stacking energy: -678.692 Base-Backbone interact. energy: -1.941 local terms energy: -762.349593 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -152.309 flat angles C4'-P-C4' energy: -161.985 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -209.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2127.054342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.054342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.054342 (E_RNA) where: Base-Base interactions energy: -1484.519 where: short stacking energy: -631.646 Base-Backbone interact. energy: 2.757 local terms energy: -645.292822 where: bonds (distance) C4'-P energy: -140.504 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -137.418 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -161.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1861.667157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.667157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.667157 (E_RNA) where: Base-Base interactions energy: -1213.473 where: short stacking energy: -551.135 Base-Backbone interact. energy: -3.573 local terms energy: -644.620859 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -150.116 flat angles C4'-P-C4' energy: -132.461 flat angles P-C4'-P energy: -97.133 tors. eta vs tors. theta energy: -141.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1713.151574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.151574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.151574 (E_RNA) where: Base-Base interactions energy: -1104.960 where: short stacking energy: -511.567 Base-Backbone interact. energy: -2.660 local terms energy: -605.532042 where: bonds (distance) C4'-P energy: -119.020 bonds (distance) P-C4' energy: -128.431 flat angles C4'-P-C4' energy: -144.971 flat angles P-C4'-P energy: -90.435 tors. eta vs tors. theta energy: -122.676 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: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1575.515012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.515012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.515012 (E_RNA) where: Base-Base interactions energy: -1026.024 where: short stacking energy: -475.758 Base-Backbone interact. energy: -0.913 local terms energy: -548.578366 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -118.857 flat angles C4'-P-C4' energy: -128.291 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -111.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1355.433748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.433748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.433748 (E_RNA) where: Base-Base interactions energy: -849.084 where: short stacking energy: -371.037 Base-Backbone interact. energy: -3.529 local terms energy: -502.820067 where: bonds (distance) C4'-P energy: -114.920 bonds (distance) P-C4' energy: -125.674 flat angles C4'-P-C4' energy: -120.533 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -59.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1121.020562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.020562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.020562 (E_RNA) where: Base-Base interactions energy: -671.944 where: short stacking energy: -306.573 Base-Backbone interact. energy: -1.699 local terms energy: -447.378045 where: bonds (distance) C4'-P energy: -121.983 bonds (distance) P-C4' energy: -108.601 flat angles C4'-P-C4' energy: -100.700 flat angles P-C4'-P energy: -72.472 tors. eta vs tors. theta energy: -43.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -986.483851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.483851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.483851 (E_RNA) where: Base-Base interactions energy: -541.161 where: short stacking energy: -285.310 Base-Backbone interact. energy: -1.990 local terms energy: -443.332665 where: bonds (distance) C4'-P energy: -114.750 bonds (distance) P-C4' energy: -121.548 flat angles C4'-P-C4' energy: -123.263 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -32.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2574.180458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.180458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.180458 (E_RNA) where: Base-Base interactions energy: -1792.481 where: short stacking energy: -737.463 Base-Backbone interact. energy: -1.120 local terms energy: -780.579458 where: bonds (distance) C4'-P energy: -142.730 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -169.470 flat angles P-C4'-P energy: -106.135 tors. eta vs tors. theta energy: -202.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2480.909031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.909031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.909031 (E_RNA) where: Base-Base interactions energy: -1680.199 where: short stacking energy: -755.212 Base-Backbone interact. energy: -3.528 local terms energy: -797.182124 where: bonds (distance) C4'-P energy: -140.354 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -168.760 flat angles P-C4'-P energy: -108.911 tors. eta vs tors. theta energy: -226.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2219.110894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.110894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.110894 (E_RNA) where: Base-Base interactions energy: -1478.641 where: short stacking energy: -690.523 Base-Backbone interact. energy: -1.657 local terms energy: -738.813485 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -125.538 flat angles C4'-P-C4' energy: -166.929 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -204.922 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: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2174.340893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.340893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.340893 (E_RNA) where: Base-Base interactions energy: -1501.286 where: short stacking energy: -623.115 Base-Backbone interact. energy: -3.047 local terms energy: -670.008354 where: bonds (distance) C4'-P energy: -129.599 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -148.235 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -173.151 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: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1907.711449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.711449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.711449 (E_RNA) where: Base-Base interactions energy: -1289.493 where: short stacking energy: -566.501 Base-Backbone interact. energy: -5.212 local terms energy: -613.006045 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -126.195 flat angles C4'-P-C4' energy: -146.736 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -135.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1730.705189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.705189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.705189 (E_RNA) where: Base-Base interactions energy: -1117.660 where: short stacking energy: -502.365 Base-Backbone interact. energy: -6.678 local terms energy: -606.367483 where: bonds (distance) C4'-P energy: -126.906 bonds (distance) P-C4' energy: -152.724 flat angles C4'-P-C4' energy: -130.230 flat angles P-C4'-P energy: -88.781 tors. eta vs tors. theta energy: -107.726 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1618.008990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.008990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.008990 (E_RNA) where: Base-Base interactions energy: -1046.350 where: short stacking energy: -449.321 Base-Backbone interact. energy: -1.284 local terms energy: -570.375039 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -121.954 flat angles C4'-P-C4' energy: -129.780 flat angles P-C4'-P energy: -78.630 tors. eta vs tors. theta energy: -109.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1303.763131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.763131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.763131 (E_RNA) where: Base-Base interactions energy: -778.835 where: short stacking energy: -372.676 Base-Backbone interact. energy: -0.427 local terms energy: -524.501312 where: bonds (distance) C4'-P energy: -114.531 bonds (distance) P-C4' energy: -124.121 flat angles C4'-P-C4' energy: -132.813 flat angles P-C4'-P energy: -88.558 tors. eta vs tors. theta energy: -64.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1066.157325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.157325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.157325 (E_RNA) where: Base-Base interactions energy: -589.229 where: short stacking energy: -304.341 Base-Backbone interact. energy: -2.063 local terms energy: -474.865276 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -133.492 flat angles P-C4'-P energy: -71.017 tors. eta vs tors. theta energy: -34.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1022.632032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.632032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.632032 (E_RNA) where: Base-Base interactions energy: -546.772 where: short stacking energy: -259.501 Base-Backbone interact. energy: 0.838 local terms energy: -476.698662 where: bonds (distance) C4'-P energy: -119.028 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -111.846 flat angles P-C4'-P energy: -72.502 tors. eta vs tors. theta energy: -30.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2577.872447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.872447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.872447 (E_RNA) where: Base-Base interactions energy: -1801.820 where: short stacking energy: -748.034 Base-Backbone interact. energy: -2.006 local terms energy: -774.045903 where: bonds (distance) C4'-P energy: -141.013 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -173.851 flat angles P-C4'-P energy: -122.437 tors. eta vs tors. theta energy: -201.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2471.004631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.004631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.004631 (E_RNA) where: Base-Base interactions energy: -1698.652 where: short stacking energy: -729.630 Base-Backbone interact. energy: -2.133 local terms energy: -770.219281 where: bonds (distance) C4'-P energy: -148.958 bonds (distance) P-C4' energy: -127.389 flat angles C4'-P-C4' energy: -165.716 flat angles P-C4'-P energy: -110.256 tors. eta vs tors. theta energy: -217.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2227.496164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.496164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.496164 (E_RNA) where: Base-Base interactions energy: -1459.022 where: short stacking energy: -676.376 Base-Backbone interact. energy: -3.188 local terms energy: -765.286497 where: bonds (distance) C4'-P energy: -139.508 bonds (distance) P-C4' energy: -147.431 flat angles C4'-P-C4' energy: -164.131 flat angles P-C4'-P energy: -119.137 tors. eta vs tors. theta energy: -195.080 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: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2197.100143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.100143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.100143 (E_RNA) where: Base-Base interactions energy: -1494.288 where: short stacking energy: -669.002 Base-Backbone interact. energy: 3.512 local terms energy: -706.324175 where: bonds (distance) C4'-P energy: -129.941 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -163.394 flat angles P-C4'-P energy: -97.521 tors. eta vs tors. theta energy: -180.622 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: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1891.663339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.663339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.663339 (E_RNA) where: Base-Base interactions energy: -1235.352 where: short stacking energy: -585.239 Base-Backbone interact. energy: -1.494 local terms energy: -654.817116 where: bonds (distance) C4'-P energy: -142.098 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -143.509 flat angles P-C4'-P energy: -82.294 tors. eta vs tors. theta energy: -146.018 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: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1615.664593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.664593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.664593 (E_RNA) where: Base-Base interactions energy: -1028.550 where: short stacking energy: -459.264 Base-Backbone interact. energy: 6.043 local terms energy: -593.157424 where: bonds (distance) C4'-P energy: -123.702 bonds (distance) P-C4' energy: -143.116 flat angles C4'-P-C4' energy: -142.980 flat angles P-C4'-P energy: -77.860 tors. eta vs tors. theta energy: -105.501 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: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1709.994467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.994467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.994467 (E_RNA) where: Base-Base interactions energy: -1105.192 where: short stacking energy: -488.434 Base-Backbone interact. energy: -0.510 local terms energy: -604.292558 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -132.820 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -118.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1286.978189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.978189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.978189 (E_RNA) where: Base-Base interactions energy: -781.955 where: short stacking energy: -373.843 Base-Backbone interact. energy: -4.622 local terms energy: -500.401488 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -124.726 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -78.239 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: 107 Temperature: 1.300000 Total energy: -1011.595251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.595251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.595251 (E_RNA) where: Base-Base interactions energy: -569.371 where: short stacking energy: -305.135 Base-Backbone interact. energy: 2.875 local terms energy: -445.099400 where: bonds (distance) C4'-P energy: -114.157 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -112.572 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -34.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1049.488727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.488727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.488727 (E_RNA) where: Base-Base interactions energy: -618.215 where: short stacking energy: -294.109 Base-Backbone interact. energy: 0.880 local terms energy: -432.153506 where: bonds (distance) C4'-P energy: -118.906 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -23.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2593.435851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.435851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.435851 (E_RNA) where: Base-Base interactions energy: -1792.183 where: short stacking energy: -746.833 Base-Backbone interact. energy: -2.522 local terms energy: -798.731117 where: bonds (distance) C4'-P energy: -164.266 bonds (distance) P-C4' energy: -141.535 flat angles C4'-P-C4' energy: -164.992 flat angles P-C4'-P energy: -112.228 tors. eta vs tors. theta energy: -215.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2483.656650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.656650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.656650 (E_RNA) where: Base-Base interactions energy: -1697.505 where: short stacking energy: -760.254 Base-Backbone interact. energy: -1.822 local terms energy: -784.329115 where: bonds (distance) C4'-P energy: -132.694 bonds (distance) P-C4' energy: -162.227 flat angles C4'-P-C4' energy: -181.998 flat angles P-C4'-P energy: -95.627 tors. eta vs tors. theta energy: -211.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2264.841851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.841851 (E_RNA) where: Base-Base interactions energy: -1515.803 where: short stacking energy: -710.800 Base-Backbone interact. energy: -0.052 local terms energy: -748.987358 where: bonds (distance) C4'-P energy: -132.109 bonds (distance) P-C4' energy: -156.124 flat angles C4'-P-C4' energy: -160.667 flat angles P-C4'-P energy: -102.026 tors. eta vs tors. theta energy: -198.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2212.107319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.107319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.107319 (E_RNA) where: Base-Base interactions energy: -1517.096 where: short stacking energy: -637.052 Base-Backbone interact. energy: 0.670 local terms energy: -695.680829 where: bonds (distance) C4'-P energy: -132.225 bonds (distance) P-C4' energy: -143.111 flat angles C4'-P-C4' energy: -146.842 flat angles P-C4'-P energy: -93.581 tors. eta vs tors. theta energy: -179.922 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: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1937.573829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.573829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.573829 (E_RNA) where: Base-Base interactions energy: -1268.869 where: short stacking energy: -592.933 Base-Backbone interact. energy: 1.288 local terms energy: -669.992896 where: bonds (distance) C4'-P energy: -126.311 bonds (distance) P-C4' energy: -136.073 flat angles C4'-P-C4' energy: -159.129 flat angles P-C4'-P energy: -101.220 tors. eta vs tors. theta energy: -147.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1660.259498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.259498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.259498 (E_RNA) where: Base-Base interactions energy: -1074.131 where: short stacking energy: -448.876 Base-Backbone interact. energy: -4.307 local terms energy: -581.821086 where: bonds (distance) C4'-P energy: -125.584 bonds (distance) P-C4' energy: -124.207 flat angles C4'-P-C4' energy: -137.240 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -98.302 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1637.095029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.095029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.095029 (E_RNA) where: Base-Base interactions energy: -1073.905 where: short stacking energy: -476.829 Base-Backbone interact. energy: -1.549 local terms energy: -561.640651 where: bonds (distance) C4'-P energy: -132.717 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -108.389 flat angles P-C4'-P energy: -98.276 tors. eta vs tors. theta energy: -111.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1336.737940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.737940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.737940 (E_RNA) where: Base-Base interactions energy: -811.384 where: short stacking energy: -389.043 Base-Backbone interact. energy: -1.188 local terms energy: -524.166352 where: bonds (distance) C4'-P energy: -126.845 bonds (distance) P-C4' energy: -130.340 flat angles C4'-P-C4' energy: -132.983 flat angles P-C4'-P energy: -79.066 tors. eta vs tors. theta energy: -54.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1132.504853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.504853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.504853 (E_RNA) where: Base-Base interactions energy: -681.613 where: short stacking energy: -328.195 Base-Backbone interact. energy: -1.132 local terms energy: -449.759997 where: bonds (distance) C4'-P energy: -120.506 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -99.212 flat angles P-C4'-P energy: -65.470 tors. eta vs tors. theta energy: -38.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -996.558240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.558240 (E_RNA) where: Base-Base interactions energy: -519.492 where: short stacking energy: -253.675 Base-Backbone interact. energy: -1.178 local terms energy: -475.888603 where: bonds (distance) C4'-P energy: -124.877 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -72.686 tors. eta vs tors. theta energy: -26.151 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: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2597.854154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.854154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.854154 (E_RNA) where: Base-Base interactions energy: -1835.335 where: short stacking energy: -748.053 Base-Backbone interact. energy: 3.029 local terms energy: -765.547709 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -141.115 flat angles C4'-P-C4' energy: -163.863 flat angles P-C4'-P energy: -107.117 tors. eta vs tors. theta energy: -208.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2481.130934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.130934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.130934 (E_RNA) where: Base-Base interactions energy: -1692.478 where: short stacking energy: -734.105 Base-Backbone interact. energy: -1.363 local terms energy: -787.289195 where: bonds (distance) C4'-P energy: -153.638 bonds (distance) P-C4' energy: -135.169 flat angles C4'-P-C4' energy: -174.755 flat angles P-C4'-P energy: -113.250 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: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2298.106585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.106585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.106585 (E_RNA) where: Base-Base interactions energy: -1564.625 where: short stacking energy: -727.316 Base-Backbone interact. energy: -2.429 local terms energy: -731.052151 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -129.311 flat angles C4'-P-C4' energy: -157.644 flat angles P-C4'-P energy: -99.044 tors. eta vs tors. theta energy: -207.465 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: 109 Temperature: 1.050000 Total energy: -2216.873926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.873926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.873926 (E_RNA) where: Base-Base interactions energy: -1502.242 where: short stacking energy: -667.652 Base-Backbone interact. energy: -1.517 local terms energy: -713.114966 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -99.946 tors. eta vs tors. theta energy: -183.176 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1877.602765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.602765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.602765 (E_RNA) where: Base-Base interactions energy: -1224.071 where: short stacking energy: -583.809 Base-Backbone interact. energy: -3.253 local terms energy: -650.279315 where: bonds (distance) C4'-P energy: -115.826 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -159.815 flat angles P-C4'-P energy: -92.700 tors. eta vs tors. theta energy: -142.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1697.287153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.287153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.287153 (E_RNA) where: Base-Base interactions energy: -1130.709 where: short stacking energy: -520.490 Base-Backbone interact. energy: -0.707 local terms energy: -565.871263 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -109.572 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -98.729 tors. eta vs tors. theta energy: -115.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1666.912636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.912636 (E_RNA) where: Base-Base interactions energy: -1086.830 where: short stacking energy: -462.142 Base-Backbone interact. energy: -4.104 local terms energy: -575.978282 where: bonds (distance) C4'-P energy: -118.747 bonds (distance) P-C4' energy: -145.294 flat angles C4'-P-C4' energy: -128.582 flat angles P-C4'-P energy: -78.851 tors. eta vs tors. theta energy: -104.504 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: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1323.334636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.334636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.334636 (E_RNA) where: Base-Base interactions energy: -841.420 where: short stacking energy: -400.980 Base-Backbone interact. energy: -1.115 local terms energy: -480.799467 where: bonds (distance) C4'-P energy: -113.715 bonds (distance) P-C4' energy: -127.343 flat angles C4'-P-C4' energy: -118.368 flat angles P-C4'-P energy: -58.696 tors. eta vs tors. theta energy: -62.677 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1105.416780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.416780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.416780 (E_RNA) where: Base-Base interactions energy: -661.056 where: short stacking energy: -320.551 Base-Backbone interact. energy: 2.788 local terms energy: -447.148505 where: bonds (distance) C4'-P energy: -115.928 bonds (distance) P-C4' energy: -122.974 flat angles C4'-P-C4' energy: -101.767 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -41.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -919.133863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.133863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.133863 (E_RNA) where: Base-Base interactions energy: -479.907 where: short stacking energy: -252.881 Base-Backbone interact. energy: -1.083 local terms energy: -438.144611 where: bonds (distance) C4'-P energy: -103.971 bonds (distance) P-C4' energy: -150.997 flat angles C4'-P-C4' energy: -111.101 flat angles P-C4'-P energy: -70.302 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2615.274660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.274660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.274660 (E_RNA) where: Base-Base interactions energy: -1817.571 where: short stacking energy: -736.850 Base-Backbone interact. energy: -0.499 local terms energy: -797.205065 where: bonds (distance) C4'-P energy: -143.922 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -177.981 flat angles P-C4'-P energy: -113.218 tors. eta vs tors. theta energy: -204.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2493.799481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.799481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.799481 (E_RNA) where: Base-Base interactions energy: -1715.039 where: short stacking energy: -748.500 Base-Backbone interact. energy: -1.826 local terms energy: -776.934558 where: bonds (distance) C4'-P energy: -139.685 bonds (distance) P-C4' energy: -140.371 flat angles C4'-P-C4' energy: -163.334 flat angles P-C4'-P energy: -121.339 tors. eta vs tors. theta energy: -212.206 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: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2260.339970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.339970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.339970 (E_RNA) where: Base-Base interactions energy: -1509.686 where: short stacking energy: -693.735 Base-Backbone interact. energy: -0.475 local terms energy: -750.179000 where: bonds (distance) C4'-P energy: -137.834 bonds (distance) P-C4' energy: -136.628 flat angles C4'-P-C4' energy: -170.654 flat angles P-C4'-P energy: -100.592 tors. eta vs tors. theta energy: -204.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2118.920317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.920317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.920317 (E_RNA) where: Base-Base interactions energy: -1392.721 where: short stacking energy: -625.498 Base-Backbone interact. energy: 0.931 local terms energy: -727.130703 where: bonds (distance) C4'-P energy: -137.860 bonds (distance) P-C4' energy: -145.500 flat angles C4'-P-C4' energy: -155.854 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -177.541 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: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1939.940099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.940099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.940099 (E_RNA) where: Base-Base interactions energy: -1314.031 where: short stacking energy: -591.601 Base-Backbone interact. energy: -2.056 local terms energy: -623.852525 where: bonds (distance) C4'-P energy: -133.088 bonds (distance) P-C4' energy: -135.956 flat angles C4'-P-C4' energy: -117.687 flat angles P-C4'-P energy: -90.055 tors. eta vs tors. theta energy: -147.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1729.682790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.682790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.682790 (E_RNA) where: Base-Base interactions energy: -1105.196 where: short stacking energy: -466.430 Base-Backbone interact. energy: -3.192 local terms energy: -621.295074 where: bonds (distance) C4'-P energy: -129.337 bonds (distance) P-C4' energy: -140.520 flat angles C4'-P-C4' energy: -135.817 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -120.219 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1639.351824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.351824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.351824 (E_RNA) where: Base-Base interactions energy: -1080.365 where: short stacking energy: -466.856 Base-Backbone interact. energy: -3.089 local terms energy: -555.898083 where: bonds (distance) C4'-P energy: -102.958 bonds (distance) P-C4' energy: -124.798 flat angles C4'-P-C4' energy: -137.060 flat angles P-C4'-P energy: -87.503 tors. eta vs tors. theta energy: -103.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1249.489379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.489379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.489379 (E_RNA) where: Base-Base interactions energy: -770.158 where: short stacking energy: -342.506 Base-Backbone interact. energy: -3.160 local terms energy: -476.171201 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -129.325 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -71.535 tors. eta vs tors. theta energy: -58.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1186.215401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.215401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.215401 (E_RNA) where: Base-Base interactions energy: -735.721 where: short stacking energy: -333.192 Base-Backbone interact. energy: -3.567 local terms energy: -446.927820 where: bonds (distance) C4'-P energy: -104.858 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -119.466 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -41.409 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: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -860.831691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.831691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.831691 (E_RNA) where: Base-Base interactions energy: -477.471 where: short stacking energy: -249.061 Base-Backbone interact. energy: 3.203 local terms energy: -386.563291 where: bonds (distance) C4'-P energy: -80.612 bonds (distance) P-C4' energy: -131.746 flat angles C4'-P-C4' energy: -112.414 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -7.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2604.081273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.081273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.081273 (E_RNA) where: Base-Base interactions energy: -1804.000 where: short stacking energy: -745.177 Base-Backbone interact. energy: -1.613 local terms energy: -798.468238 where: bonds (distance) C4'-P energy: -156.117 bonds (distance) P-C4' energy: -162.518 flat angles C4'-P-C4' energy: -164.358 flat angles P-C4'-P energy: -113.705 tors. eta vs tors. theta energy: -201.771 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: 111 Temperature: 0.950000 Total energy: -2490.138785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.138785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.138785 (E_RNA) where: Base-Base interactions energy: -1707.694 where: short stacking energy: -736.661 Base-Backbone interact. energy: 1.239 local terms energy: -783.684338 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -139.138 flat angles C4'-P-C4' energy: -170.673 flat angles P-C4'-P energy: -120.519 tors. eta vs tors. theta energy: -216.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2302.528613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.528613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.528613 (E_RNA) where: Base-Base interactions energy: -1555.898 where: short stacking energy: -713.843 Base-Backbone interact. energy: 1.626 local terms energy: -748.256730 where: bonds (distance) C4'-P energy: -125.704 bonds (distance) P-C4' energy: -141.026 flat angles C4'-P-C4' energy: -166.806 flat angles P-C4'-P energy: -108.603 tors. eta vs tors. theta energy: -206.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2099.151643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.151643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.151643 (E_RNA) where: Base-Base interactions energy: -1407.384 where: short stacking energy: -617.226 Base-Backbone interact. energy: 0.529 local terms energy: -692.297074 where: bonds (distance) C4'-P energy: -125.145 bonds (distance) P-C4' energy: -146.580 flat angles C4'-P-C4' energy: -147.086 flat angles P-C4'-P energy: -93.521 tors. eta vs tors. theta energy: -179.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1979.671038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.671038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.671038 (E_RNA) where: Base-Base interactions energy: -1302.935 where: short stacking energy: -618.408 Base-Backbone interact. energy: -2.763 local terms energy: -673.972849 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -140.919 flat angles C4'-P-C4' energy: -162.976 flat angles P-C4'-P energy: -90.123 tors. eta vs tors. theta energy: -159.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1732.839024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.839024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.839024 (E_RNA) where: Base-Base interactions energy: -1132.303 where: short stacking energy: -507.088 Base-Backbone interact. energy: 0.601 local terms energy: -601.137929 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -139.448 flat angles C4'-P-C4' energy: -143.641 flat angles P-C4'-P energy: -83.578 tors. eta vs tors. theta energy: -107.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1623.504547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.504547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.504547 (E_RNA) where: Base-Base interactions energy: -1078.185 where: short stacking energy: -475.864 Base-Backbone interact. energy: 0.335 local terms energy: -545.654417 where: bonds (distance) C4'-P energy: -111.483 bonds (distance) P-C4' energy: -141.871 flat angles C4'-P-C4' energy: -118.553 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -90.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1249.607720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.607720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.607720 (E_RNA) where: Base-Base interactions energy: -742.564 where: short stacking energy: -352.415 Base-Backbone interact. energy: 9.270 local terms energy: -516.314445 where: bonds (distance) C4'-P energy: -124.561 bonds (distance) P-C4' energy: -131.508 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -87.310 tors. eta vs tors. theta energy: -54.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1216.466527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.466527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.466527 (E_RNA) where: Base-Base interactions energy: -760.185 where: short stacking energy: -394.629 Base-Backbone interact. energy: -0.237 local terms energy: -456.045230 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -112.838 flat angles C4'-P-C4' energy: -120.795 flat angles P-C4'-P energy: -79.314 tors. eta vs tors. theta energy: -46.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -921.877962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.877962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.877962 (E_RNA) where: Base-Base interactions energy: -474.429 where: short stacking energy: -268.007 Base-Backbone interact. energy: 1.307 local terms energy: -448.755548 where: bonds (distance) C4'-P energy: -119.020 bonds (distance) P-C4' energy: -120.918 flat angles C4'-P-C4' energy: -96.234 flat angles P-C4'-P energy: -68.712 tors. eta vs tors. theta energy: -43.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2578.557062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.557062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.557062 (E_RNA) where: Base-Base interactions energy: -1800.940 where: short stacking energy: -737.838 Base-Backbone interact. energy: -3.181 local terms energy: -774.436179 where: bonds (distance) C4'-P energy: -143.531 bonds (distance) P-C4' energy: -161.993 flat angles C4'-P-C4' energy: -162.902 flat angles P-C4'-P energy: -107.068 tors. eta vs tors. theta energy: -198.942 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: 112 Temperature: 0.950000 Total energy: -2477.230187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.230187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.230187 (E_RNA) where: Base-Base interactions energy: -1694.307 where: short stacking energy: -734.408 Base-Backbone interact. energy: -2.235 local terms energy: -780.688802 where: bonds (distance) C4'-P energy: -142.861 bonds (distance) P-C4' energy: -138.599 flat angles C4'-P-C4' energy: -173.053 flat angles P-C4'-P energy: -108.366 tors. eta vs tors. theta energy: -217.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2291.801647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.801647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.801647 (E_RNA) where: Base-Base interactions energy: -1554.948 where: short stacking energy: -722.708 Base-Backbone interact. energy: -1.061 local terms energy: -735.792772 where: bonds (distance) C4'-P energy: -131.856 bonds (distance) P-C4' energy: -132.641 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -106.553 tors. eta vs tors. theta energy: -207.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2133.501899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.501899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.501899 (E_RNA) where: Base-Base interactions energy: -1431.929 where: short stacking energy: -614.860 Base-Backbone interact. energy: -3.198 local terms energy: -698.374968 where: bonds (distance) C4'-P energy: -128.775 bonds (distance) P-C4' energy: -152.861 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: -168.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1927.141612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.141612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.141612 (E_RNA) where: Base-Base interactions energy: -1261.031 where: short stacking energy: -602.004 Base-Backbone interact. energy: -1.339 local terms energy: -664.771675 where: bonds (distance) C4'-P energy: -122.865 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -132.758 flat angles P-C4'-P energy: -94.347 tors. eta vs tors. theta energy: -168.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1749.768074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.768074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.768074 (E_RNA) where: Base-Base interactions energy: -1125.996 where: short stacking energy: -521.434 Base-Backbone interact. energy: -4.783 local terms energy: -618.989863 where: bonds (distance) C4'-P energy: -138.424 bonds (distance) P-C4' energy: -136.703 flat angles C4'-P-C4' energy: -141.296 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -120.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1618.519426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.519426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.519426 (E_RNA) where: Base-Base interactions energy: -1054.710 where: short stacking energy: -481.589 Base-Backbone interact. energy: -0.734 local terms energy: -563.075182 where: bonds (distance) C4'-P energy: -112.964 bonds (distance) P-C4' energy: -125.051 flat angles C4'-P-C4' energy: -135.093 flat angles P-C4'-P energy: -84.899 tors. eta vs tors. theta energy: -105.068 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: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1236.479868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.479868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.479868 (E_RNA) where: Base-Base interactions energy: -800.977 where: short stacking energy: -376.018 Base-Backbone interact. energy: -0.280 local terms energy: -435.222968 where: bonds (distance) C4'-P energy: -102.959 bonds (distance) P-C4' energy: -109.832 flat angles C4'-P-C4' energy: -106.816 flat angles P-C4'-P energy: -71.377 tors. eta vs tors. theta energy: -44.238 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: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1308.800030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.800030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.800030 (E_RNA) where: Base-Base interactions energy: -820.948 where: short stacking energy: -383.096 Base-Backbone interact. energy: -1.493 local terms energy: -486.359197 where: bonds (distance) C4'-P energy: -107.063 bonds (distance) P-C4' energy: -122.769 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -53.680 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -803.822926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.822926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.822926 (E_RNA) where: Base-Base interactions energy: -421.602 where: short stacking energy: -236.636 Base-Backbone interact. energy: -1.619 local terms energy: -380.602483 where: bonds (distance) C4'-P energy: -98.011 bonds (distance) P-C4' energy: -113.993 flat angles C4'-P-C4' energy: -109.358 flat angles P-C4'-P energy: -61.410 tors. eta vs tors. theta energy: 2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2623.857959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.857959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.857959 (E_RNA) where: Base-Base interactions energy: -1837.780 where: short stacking energy: -752.946 Base-Backbone interact. energy: -2.487 local terms energy: -783.591362 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -158.443 flat angles C4'-P-C4' energy: -161.314 flat angles P-C4'-P energy: -104.149 tors. eta vs tors. theta energy: -215.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2472.487124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.487124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.487124 (E_RNA) where: Base-Base interactions energy: -1704.962 where: short stacking energy: -728.770 Base-Backbone interact. energy: 0.234 local terms energy: -767.759371 where: bonds (distance) C4'-P energy: -144.081 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -162.567 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -213.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2297.397119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.397119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.397119 (E_RNA) where: Base-Base interactions energy: -1544.859 where: short stacking energy: -715.581 Base-Backbone interact. energy: -2.178 local terms energy: -750.360696 where: bonds (distance) C4'-P energy: -121.262 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -167.235 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -216.264 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: 113 Temperature: 1.050000 Total energy: -2160.805954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.805954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.805954 (E_RNA) where: Base-Base interactions energy: -1502.343 where: short stacking energy: -639.796 Base-Backbone interact. energy: -3.855 local terms energy: -654.607593 where: bonds (distance) C4'-P energy: -119.239 bonds (distance) P-C4' energy: -130.243 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -169.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1940.731958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.731958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.731958 (E_RNA) where: Base-Base interactions energy: -1267.419 where: short stacking energy: -590.474 Base-Backbone interact. energy: -4.726 local terms energy: -668.587107 where: bonds (distance) C4'-P energy: -123.560 bonds (distance) P-C4' energy: -135.888 flat angles C4'-P-C4' energy: -145.195 flat angles P-C4'-P energy: -94.539 tors. eta vs tors. theta energy: -169.405 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: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1716.580190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.580190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.580190 (E_RNA) where: Base-Base interactions energy: -1124.292 where: short stacking energy: -512.133 Base-Backbone interact. energy: -0.001 local terms energy: -592.286513 where: bonds (distance) C4'-P energy: -109.656 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -79.132 tors. eta vs tors. theta energy: -127.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1662.987496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.987496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.987496 (E_RNA) where: Base-Base interactions energy: -1070.639 where: short stacking energy: -494.031 Base-Backbone interact. energy: 4.124 local terms energy: -596.472570 where: bonds (distance) C4'-P energy: -131.307 bonds (distance) P-C4' energy: -139.832 flat angles C4'-P-C4' energy: -136.927 flat angles P-C4'-P energy: -77.224 tors. eta vs tors. theta energy: -111.182 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: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1427.574944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.574944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.574944 (E_RNA) where: Base-Base interactions energy: -892.974 where: short stacking energy: -408.546 Base-Backbone interact. energy: -0.607 local terms energy: -533.994006 where: bonds (distance) C4'-P energy: -114.929 bonds (distance) P-C4' energy: -127.306 flat angles C4'-P-C4' energy: -130.415 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -81.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1211.962211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.962211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.962211 (E_RNA) where: Base-Base interactions energy: -764.785 where: short stacking energy: -345.113 Base-Backbone interact. energy: -0.238 local terms energy: -446.939852 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -99.595 flat angles P-C4'-P energy: -75.935 tors. eta vs tors. theta energy: -37.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -819.066186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.066186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.066186 (E_RNA) where: Base-Base interactions energy: -405.497 where: short stacking energy: -237.994 Base-Backbone interact. energy: 2.414 local terms energy: -415.982851 where: bonds (distance) C4'-P energy: -116.802 bonds (distance) P-C4' energy: -145.166 flat angles C4'-P-C4' energy: -90.512 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -2.807 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: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2608.452538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.452538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.452538 (E_RNA) where: Base-Base interactions energy: -1832.412 where: short stacking energy: -747.851 Base-Backbone interact. energy: -0.373 local terms energy: -775.667947 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -164.018 flat angles P-C4'-P energy: -108.996 tors. eta vs tors. theta energy: -213.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2471.362799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.362799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.362799 (E_RNA) where: Base-Base interactions energy: -1685.265 where: short stacking energy: -709.874 Base-Backbone interact. energy: -0.490 local terms energy: -785.607805 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -145.687 flat angles C4'-P-C4' energy: -170.441 flat angles P-C4'-P energy: -113.758 tors. eta vs tors. theta energy: -218.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2273.664996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.664996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.664996 (E_RNA) where: Base-Base interactions energy: -1503.670 where: short stacking energy: -659.639 Base-Backbone interact. energy: 1.231 local terms energy: -771.226000 where: bonds (distance) C4'-P energy: -137.089 bonds (distance) P-C4' energy: -158.630 flat angles C4'-P-C4' energy: -163.494 flat angles P-C4'-P energy: -111.181 tors. eta vs tors. theta energy: -200.831 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: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2135.758885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.758885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.758885 (E_RNA) where: Base-Base interactions energy: -1436.159 where: short stacking energy: -598.444 Base-Backbone interact. energy: -3.417 local terms energy: -696.183413 where: bonds (distance) C4'-P energy: -125.688 bonds (distance) P-C4' energy: -163.261 flat angles C4'-P-C4' energy: -149.926 flat angles P-C4'-P energy: -90.399 tors. eta vs tors. theta energy: -166.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1879.572363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.572363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.572363 (E_RNA) where: Base-Base interactions energy: -1230.712 where: short stacking energy: -543.424 Base-Backbone interact. energy: -2.306 local terms energy: -646.554918 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -126.086 flat angles C4'-P-C4' energy: -145.939 flat angles P-C4'-P energy: -87.094 tors. eta vs tors. theta energy: -147.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1858.947587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.947587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.947587 (E_RNA) where: Base-Base interactions energy: -1225.967 where: short stacking energy: -538.473 Base-Backbone interact. energy: -0.406 local terms energy: -632.574240 where: bonds (distance) C4'-P energy: -120.636 bonds (distance) P-C4' energy: -131.555 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -102.383 tors. eta vs tors. theta energy: -132.040 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: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1660.358033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.358033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.358033 (E_RNA) where: Base-Base interactions energy: -1070.254 where: short stacking energy: -458.382 Base-Backbone interact. energy: 0.955 local terms energy: -591.058784 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -126.762 flat angles C4'-P-C4' energy: -135.699 flat angles P-C4'-P energy: -99.963 tors. eta vs tors. theta energy: -114.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1444.198911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.198911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.198911 (E_RNA) where: Base-Base interactions energy: -889.113 where: short stacking energy: -420.579 Base-Backbone interact. energy: -2.649 local terms energy: -552.436679 where: bonds (distance) C4'-P energy: -124.182 bonds (distance) P-C4' energy: -123.004 flat angles C4'-P-C4' energy: -122.754 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -85.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1135.597060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.597060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.597060 (E_RNA) where: Base-Base interactions energy: -650.548 where: short stacking energy: -339.341 Base-Backbone interact. energy: -1.445 local terms energy: -483.603959 where: bonds (distance) C4'-P energy: -125.967 bonds (distance) P-C4' energy: -127.407 flat angles C4'-P-C4' energy: -119.332 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -49.710 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: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -876.628153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.628153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.628153 (E_RNA) where: Base-Base interactions energy: -486.032 where: short stacking energy: -256.444 Base-Backbone interact. energy: -0.582 local terms energy: -390.013862 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -117.168 flat angles C4'-P-C4' energy: -108.102 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: 4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2606.161625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.161625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.161625 (E_RNA) where: Base-Base interactions energy: -1816.322 where: short stacking energy: -725.658 Base-Backbone interact. energy: -2.021 local terms energy: -787.818860 where: bonds (distance) C4'-P energy: -144.655 bonds (distance) P-C4' energy: -144.109 flat angles C4'-P-C4' energy: -173.123 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -209.189 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2511.458286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.458286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.458286 (E_RNA) where: Base-Base interactions energy: -1731.574 where: short stacking energy: -766.572 Base-Backbone interact. energy: 0.311 local terms energy: -780.195263 where: bonds (distance) C4'-P energy: -127.778 bonds (distance) P-C4' energy: -147.776 flat angles C4'-P-C4' energy: -168.367 flat angles P-C4'-P energy: -113.072 tors. eta vs tors. theta energy: -223.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2262.248412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.248412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.248412 (E_RNA) where: Base-Base interactions energy: -1518.522 where: short stacking energy: -668.037 Base-Backbone interact. energy: -2.630 local terms energy: -741.096695 where: bonds (distance) C4'-P energy: -144.276 bonds (distance) P-C4' energy: -134.597 flat angles C4'-P-C4' energy: -151.822 flat angles P-C4'-P energy: -100.248 tors. eta vs tors. theta energy: -210.154 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: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2121.616391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.616391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.616391 (E_RNA) where: Base-Base interactions energy: -1441.003 where: short stacking energy: -616.551 Base-Backbone interact. energy: -3.398 local terms energy: -677.215895 where: bonds (distance) C4'-P energy: -137.967 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -150.847 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -156.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1914.212822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.212822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.212822 (E_RNA) where: Base-Base interactions energy: -1260.350 where: short stacking energy: -577.856 Base-Backbone interact. energy: 5.410 local terms energy: -659.272705 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -131.842 flat angles C4'-P-C4' energy: -162.469 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -157.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1867.785884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.785884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.785884 (E_RNA) where: Base-Base interactions energy: -1224.414 where: short stacking energy: -528.651 Base-Backbone interact. energy: -1.129 local terms energy: -642.243170 where: bonds (distance) C4'-P energy: -144.832 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -136.509 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -130.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1713.216771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.216771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.216771 (E_RNA) where: Base-Base interactions energy: -1103.944 where: short stacking energy: -489.463 Base-Backbone interact. energy: -0.353 local terms energy: -608.919825 where: bonds (distance) C4'-P energy: -131.271 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -82.320 tors. eta vs tors. theta energy: -129.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1410.385542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.385542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.385542 (E_RNA) where: Base-Base interactions energy: -887.608 where: short stacking energy: -411.184 Base-Backbone interact. energy: -0.586 local terms energy: -522.191065 where: bonds (distance) C4'-P energy: -126.101 bonds (distance) P-C4' energy: -133.160 flat angles C4'-P-C4' energy: -120.815 flat angles P-C4'-P energy: -62.103 tors. eta vs tors. theta energy: -80.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1117.998145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.998145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.998145 (E_RNA) where: Base-Base interactions energy: -643.193 where: short stacking energy: -321.004 Base-Backbone interact. energy: -0.413 local terms energy: -474.392162 where: bonds (distance) C4'-P energy: -110.921 bonds (distance) P-C4' energy: -127.615 flat angles C4'-P-C4' energy: -122.354 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -50.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -882.277050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.277050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.277050 (E_RNA) where: Base-Base interactions energy: -473.695 where: short stacking energy: -254.836 Base-Backbone interact. energy: -1.952 local terms energy: -406.630211 where: bonds (distance) C4'-P energy: -115.234 bonds (distance) P-C4' energy: -107.075 flat angles C4'-P-C4' energy: -116.848 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -13.003 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: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2617.458249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.458249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.458249 (E_RNA) where: Base-Base interactions energy: -1802.846 where: short stacking energy: -755.497 Base-Backbone interact. energy: -2.042 local terms energy: -812.569842 where: bonds (distance) C4'-P energy: -163.582 bonds (distance) P-C4' energy: -139.500 flat angles C4'-P-C4' energy: -176.334 flat angles P-C4'-P energy: -123.613 tors. eta vs tors. theta energy: -209.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2507.910882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.910882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.910882 (E_RNA) where: Base-Base interactions energy: -1721.085 where: short stacking energy: -742.710 Base-Backbone interact. energy: 1.216 local terms energy: -788.041597 where: bonds (distance) C4'-P energy: -130.931 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -110.825 tors. eta vs tors. theta energy: -211.446 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: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2306.776753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.776753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.776753 (E_RNA) where: Base-Base interactions energy: -1557.043 where: short stacking energy: -707.227 Base-Backbone interact. energy: -0.171 local terms energy: -749.562465 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -130.733 flat angles C4'-P-C4' energy: -161.592 flat angles P-C4'-P energy: -105.160 tors. eta vs tors. theta energy: -218.745 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: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2166.258675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.258675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.258675 (E_RNA) where: Base-Base interactions energy: -1459.826 where: short stacking energy: -633.444 Base-Backbone interact. energy: -1.860 local terms energy: -704.573316 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -145.303 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -167.711 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: 116 Temperature: 1.100000 Total energy: -1925.762739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.762739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.762739 (E_RNA) where: Base-Base interactions energy: -1288.216 where: short stacking energy: -566.528 Base-Backbone interact. energy: 0.167 local terms energy: -637.714073 where: bonds (distance) C4'-P energy: -134.248 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -134.977 flat angles P-C4'-P energy: -86.067 tors. eta vs tors. theta energy: -157.830 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: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1852.568281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.568281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.568281 (E_RNA) where: Base-Base interactions energy: -1231.111 where: short stacking energy: -529.824 Base-Backbone interact. energy: 0.832 local terms energy: -622.289664 where: bonds (distance) C4'-P energy: -137.217 bonds (distance) P-C4' energy: -126.434 flat angles C4'-P-C4' energy: -146.538 flat angles P-C4'-P energy: -91.719 tors. eta vs tors. theta energy: -120.380 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1670.004660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.004660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.004660 (E_RNA) where: Base-Base interactions energy: -1082.570 where: short stacking energy: -504.651 Base-Backbone interact. energy: 3.216 local terms energy: -590.650788 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -135.022 flat angles C4'-P-C4' energy: -143.173 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -124.504 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: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1439.707211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.707211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.707211 (E_RNA) where: Base-Base interactions energy: -913.958 where: short stacking energy: -414.620 Base-Backbone interact. energy: 6.837 local terms energy: -532.585298 where: bonds (distance) C4'-P energy: -113.157 bonds (distance) P-C4' energy: -136.056 flat angles C4'-P-C4' energy: -119.840 flat angles P-C4'-P energy: -80.652 tors. eta vs tors. theta energy: -82.881 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: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1092.154574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.154574 (E_RNA) where: Base-Base interactions energy: -611.764 where: short stacking energy: -306.619 Base-Backbone interact. energy: -1.316 local terms energy: -479.074558 where: bonds (distance) C4'-P energy: -116.020 bonds (distance) P-C4' energy: -134.957 flat angles C4'-P-C4' energy: -120.643 flat angles P-C4'-P energy: -72.321 tors. eta vs tors. theta energy: -35.133 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: 116 Temperature: 1.350000 Total energy: -850.754992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.754992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.754992 (E_RNA) where: Base-Base interactions energy: -433.370 where: short stacking energy: -232.459 Base-Backbone interact. energy: 1.937 local terms energy: -419.322754 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -122.296 flat angles C4'-P-C4' energy: -97.869 flat angles P-C4'-P energy: -75.342 tors. eta vs tors. theta energy: -4.950 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: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2631.313673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.313673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.313673 (E_RNA) where: Base-Base interactions energy: -1852.741 where: short stacking energy: -725.624 Base-Backbone interact. energy: -1.251 local terms energy: -777.321490 where: bonds (distance) C4'-P energy: -132.224 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -174.757 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -203.724 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: 117 Temperature: 0.950000 Total energy: -2483.533179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.533179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.533179 (E_RNA) where: Base-Base interactions energy: -1703.088 where: short stacking energy: -712.796 Base-Backbone interact. energy: -5.258 local terms energy: -775.187302 where: bonds (distance) C4'-P energy: -154.497 bonds (distance) P-C4' energy: -139.285 flat angles C4'-P-C4' energy: -166.557 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -209.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2353.096118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.096118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.096118 (E_RNA) where: Base-Base interactions energy: -1566.317 where: short stacking energy: -694.057 Base-Backbone interact. energy: -3.687 local terms energy: -783.092007 where: bonds (distance) C4'-P energy: -138.870 bonds (distance) P-C4' energy: -147.173 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -110.624 tors. eta vs tors. theta energy: -214.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2165.172667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.172667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.172667 (E_RNA) where: Base-Base interactions energy: -1486.023 where: short stacking energy: -610.832 Base-Backbone interact. energy: 6.089 local terms energy: -685.238658 where: bonds (distance) C4'-P energy: -141.550 bonds (distance) P-C4' energy: -132.015 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -84.721 tors. eta vs tors. theta energy: -162.862 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: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1949.847809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.847809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.847809 (E_RNA) where: Base-Base interactions energy: -1267.796 where: short stacking energy: -550.009 Base-Backbone interact. energy: -3.024 local terms energy: -679.027585 where: bonds (distance) C4'-P energy: -136.242 bonds (distance) P-C4' energy: -147.764 flat angles C4'-P-C4' energy: -141.204 flat angles P-C4'-P energy: -92.006 tors. eta vs tors. theta energy: -161.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1830.758018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.758018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.758018 (E_RNA) where: Base-Base interactions energy: -1215.853 where: short stacking energy: -515.314 Base-Backbone interact. energy: -0.576 local terms energy: -614.328891 where: bonds (distance) C4'-P energy: -117.765 bonds (distance) P-C4' energy: -147.252 flat angles C4'-P-C4' energy: -131.395 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -129.787 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: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1656.442411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.442411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.442411 (E_RNA) where: Base-Base interactions energy: -1084.241 where: short stacking energy: -474.895 Base-Backbone interact. energy: 3.023 local terms energy: -575.224153 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -131.716 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: -101.426 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: 117 Temperature: 1.250000 Total energy: -1480.695937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.695937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.695937 (E_RNA) where: Base-Base interactions energy: -968.345 where: short stacking energy: -454.235 Base-Backbone interact. energy: -2.379 local terms energy: -509.971886 where: bonds (distance) C4'-P energy: -115.386 bonds (distance) P-C4' energy: -100.190 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -104.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1060.454137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.454137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.454137 (E_RNA) where: Base-Base interactions energy: -605.325 where: short stacking energy: -315.789 Base-Backbone interact. energy: -4.759 local terms energy: -450.369815 where: bonds (distance) C4'-P energy: -125.278 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -47.976 tors. eta vs tors. theta energy: -43.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -816.301734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.301734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.301734 (E_RNA) where: Base-Base interactions energy: -419.659 where: short stacking energy: -245.199 Base-Backbone interact. energy: 0.887 local terms energy: -397.530196 where: bonds (distance) C4'-P energy: -115.721 bonds (distance) P-C4' energy: -120.284 flat angles C4'-P-C4' energy: -91.624 flat angles P-C4'-P energy: -48.912 tors. eta vs tors. theta energy: -20.989 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: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2616.498801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.498801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.498801 (E_RNA) where: Base-Base interactions energy: -1845.956 where: short stacking energy: -744.552 Base-Backbone interact. energy: -2.691 local terms energy: -767.851692 where: bonds (distance) C4'-P energy: -134.367 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -166.851 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -212.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2517.923419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.923419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.923419 (E_RNA) where: Base-Base interactions energy: -1715.200 where: short stacking energy: -777.157 Base-Backbone interact. energy: -3.305 local terms energy: -799.418642 where: bonds (distance) C4'-P energy: -144.528 bonds (distance) P-C4' energy: -135.558 flat angles C4'-P-C4' energy: -181.909 flat angles P-C4'-P energy: -109.424 tors. eta vs tors. theta energy: -227.999 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2305.226178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.226178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.226178 (E_RNA) where: Base-Base interactions energy: -1545.423 where: short stacking energy: -699.859 Base-Backbone interact. energy: 1.799 local terms energy: -761.602124 where: bonds (distance) C4'-P energy: -147.644 bonds (distance) P-C4' energy: -142.685 flat angles C4'-P-C4' energy: -160.223 flat angles P-C4'-P energy: -103.001 tors. eta vs tors. theta energy: -208.050 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: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2151.935817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.935817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.935817 (E_RNA) where: Base-Base interactions energy: -1447.472 where: short stacking energy: -621.575 Base-Backbone interact. energy: -2.193 local terms energy: -702.271230 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -144.359 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -166.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1964.915399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.915399 (E_RNA) where: Base-Base interactions energy: -1309.390 where: short stacking energy: -594.993 Base-Backbone interact. energy: 1.940 local terms energy: -657.466154 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -134.320 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -155.200 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: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1841.840982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.840982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.840982 (E_RNA) where: Base-Base interactions energy: -1244.335 where: short stacking energy: -496.306 Base-Backbone interact. energy: 1.706 local terms energy: -599.211758 where: bonds (distance) C4'-P energy: -132.613 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -91.791 tors. eta vs tors. theta energy: -108.026 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: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1616.658264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.658264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.658264 (E_RNA) where: Base-Base interactions energy: -1057.505 where: short stacking energy: -466.603 Base-Backbone interact. energy: 2.405 local terms energy: -561.558058 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -115.549 flat angles C4'-P-C4' energy: -119.113 flat angles P-C4'-P energy: -90.042 tors. eta vs tors. theta energy: -102.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1421.862839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.862839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.862839 (E_RNA) where: Base-Base interactions energy: -893.593 where: short stacking energy: -443.855 Base-Backbone interact. energy: -1.891 local terms energy: -526.378757 where: bonds (distance) C4'-P energy: -109.437 bonds (distance) P-C4' energy: -111.373 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -102.541 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: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1073.530023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.530023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.530023 (E_RNA) where: Base-Base interactions energy: -623.382 where: short stacking energy: -315.004 Base-Backbone interact. energy: -1.726 local terms energy: -448.421596 where: bonds (distance) C4'-P energy: -122.332 bonds (distance) P-C4' energy: -123.242 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -44.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -832.426679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.426679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.426679 (E_RNA) where: Base-Base interactions energy: -401.659 where: short stacking energy: -236.210 Base-Backbone interact. energy: -0.855 local terms energy: -429.912734 where: bonds (distance) C4'-P energy: -113.218 bonds (distance) P-C4' energy: -114.929 flat angles C4'-P-C4' energy: -102.396 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2627.244482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.244482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.244482 (E_RNA) where: Base-Base interactions energy: -1851.108 where: short stacking energy: -758.542 Base-Backbone interact. energy: -0.161 local terms energy: -775.975887 where: bonds (distance) C4'-P energy: -145.308 bonds (distance) P-C4' energy: -164.466 flat angles C4'-P-C4' energy: -169.021 flat angles P-C4'-P energy: -101.048 tors. eta vs tors. theta energy: -196.133 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2497.240976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.240976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.240976 (E_RNA) where: Base-Base interactions energy: -1701.305 where: short stacking energy: -751.730 Base-Backbone interact. energy: -2.552 local terms energy: -793.383741 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -147.975 flat angles C4'-P-C4' energy: -168.480 flat angles P-C4'-P energy: -108.076 tors. eta vs tors. theta energy: -221.581 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: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2328.545393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.545393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.545393 (E_RNA) where: Base-Base interactions energy: -1568.146 where: short stacking energy: -717.236 Base-Backbone interact. energy: -2.591 local terms energy: -757.808329 where: bonds (distance) C4'-P energy: -129.690 bonds (distance) P-C4' energy: -130.130 flat angles C4'-P-C4' energy: -167.054 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -217.372 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: 119 Temperature: 1.050000 Total energy: -2190.897271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.897271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.897271 (E_RNA) where: Base-Base interactions energy: -1481.213 where: short stacking energy: -645.967 Base-Backbone interact. energy: 1.098 local terms energy: -710.781596 where: bonds (distance) C4'-P energy: -139.944 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -149.167 flat angles P-C4'-P energy: -103.010 tors. eta vs tors. theta energy: -183.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1966.891246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.891246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.891246 (E_RNA) where: Base-Base interactions energy: -1331.555 where: short stacking energy: -621.519 Base-Backbone interact. energy: -1.453 local terms energy: -633.883428 where: bonds (distance) C4'-P energy: -123.502 bonds (distance) P-C4' energy: -121.060 flat angles C4'-P-C4' energy: -151.032 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -160.070 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: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1834.982330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.982330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.982330 (E_RNA) where: Base-Base interactions energy: -1220.554 where: short stacking energy: -539.928 Base-Backbone interact. energy: -1.728 local terms energy: -612.700691 where: bonds (distance) C4'-P energy: -124.030 bonds (distance) P-C4' energy: -131.280 flat angles C4'-P-C4' energy: -144.111 flat angles P-C4'-P energy: -93.009 tors. eta vs tors. theta energy: -120.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1636.234895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.234895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.234895 (E_RNA) where: Base-Base interactions energy: -1070.851 where: short stacking energy: -471.408 Base-Backbone interact. energy: -2.987 local terms energy: -562.396556 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -128.492 flat angles C4'-P-C4' energy: -129.272 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -96.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1475.972979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.972979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.972979 (E_RNA) where: Base-Base interactions energy: -947.587 where: short stacking energy: -447.596 Base-Backbone interact. energy: 2.007 local terms energy: -530.392731 where: bonds (distance) C4'-P energy: -92.066 bonds (distance) P-C4' energy: -137.685 flat angles C4'-P-C4' energy: -133.340 flat angles P-C4'-P energy: -78.180 tors. eta vs tors. theta energy: -89.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1058.305420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.305420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.305420 (E_RNA) where: Base-Base interactions energy: -616.624 where: short stacking energy: -339.634 Base-Backbone interact. energy: 0.735 local terms energy: -442.416501 where: bonds (distance) C4'-P energy: -98.866 bonds (distance) P-C4' energy: -124.222 flat angles C4'-P-C4' energy: -112.841 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -36.193 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: 119 Temperature: 1.350000 Total energy: -780.042317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.042317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.042317 (E_RNA) where: Base-Base interactions energy: -406.631 where: short stacking energy: -230.842 Base-Backbone interact. energy: 3.671 local terms energy: -377.083079 where: bonds (distance) C4'-P energy: -121.274 bonds (distance) P-C4' energy: -124.227 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -43.462 tors. eta vs tors. theta energy: 8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2601.551058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.551058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.551058 (E_RNA) where: Base-Base interactions energy: -1810.232 where: short stacking energy: -750.204 Base-Backbone interact. energy: -1.995 local terms energy: -789.323874 where: bonds (distance) C4'-P energy: -150.657 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -173.587 flat angles P-C4'-P energy: -113.935 tors. eta vs tors. theta energy: -201.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2509.635415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.635415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.635415 (E_RNA) where: Base-Base interactions energy: -1699.314 where: short stacking energy: -747.960 Base-Backbone interact. energy: -1.531 local terms energy: -808.790507 where: bonds (distance) C4'-P energy: -151.161 bonds (distance) P-C4' energy: -143.208 flat angles C4'-P-C4' energy: -165.221 flat angles P-C4'-P energy: -124.592 tors. eta vs tors. theta energy: -224.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2321.925516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.925516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.925516 (E_RNA) where: Base-Base interactions energy: -1565.855 where: short stacking energy: -714.135 Base-Backbone interact. energy: -0.199 local terms energy: -755.871111 where: bonds (distance) C4'-P energy: -138.690 bonds (distance) P-C4' energy: -126.372 flat angles C4'-P-C4' energy: -165.463 flat angles P-C4'-P energy: -110.204 tors. eta vs tors. theta energy: -215.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2149.830651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.830651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.830651 (E_RNA) where: Base-Base interactions energy: -1436.938 where: short stacking energy: -637.279 Base-Backbone interact. energy: -3.731 local terms energy: -709.161499 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -136.829 flat angles C4'-P-C4' energy: -151.792 flat angles P-C4'-P energy: -110.455 tors. eta vs tors. theta energy: -170.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1896.492058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.492058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.492058 (E_RNA) where: Base-Base interactions energy: -1246.456 where: short stacking energy: -579.234 Base-Backbone interact. energy: -3.978 local terms energy: -646.058547 where: bonds (distance) C4'-P energy: -125.717 bonds (distance) P-C4' energy: -130.103 flat angles C4'-P-C4' energy: -148.188 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -148.237 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: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1817.453461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.453461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.453461 (E_RNA) where: Base-Base interactions energy: -1192.866 where: short stacking energy: -488.337 Base-Backbone interact. energy: 1.064 local terms energy: -625.652035 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -144.981 flat angles C4'-P-C4' energy: -140.105 flat angles P-C4'-P energy: -94.518 tors. eta vs tors. theta energy: -121.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1681.412255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.412255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.412255 (E_RNA) where: Base-Base interactions energy: -1055.317 where: short stacking energy: -466.850 Base-Backbone interact. energy: -1.434 local terms energy: -624.661480 where: bonds (distance) C4'-P energy: -138.393 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -132.456 flat angles P-C4'-P energy: -102.940 tors. eta vs tors. theta energy: -114.780 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: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1423.150855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.150855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.150855 (E_RNA) where: Base-Base interactions energy: -895.502 where: short stacking energy: -410.878 Base-Backbone interact. energy: -0.554 local terms energy: -527.094827 where: bonds (distance) C4'-P energy: -113.341 bonds (distance) P-C4' energy: -137.626 flat angles C4'-P-C4' energy: -138.306 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -73.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1095.013578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.013578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.013578 (E_RNA) where: Base-Base interactions energy: -636.870 where: short stacking energy: -302.212 Base-Backbone interact. energy: 1.213 local terms energy: -459.356435 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -39.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -805.006812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.006812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.006812 (E_RNA) where: Base-Base interactions energy: -423.440 where: short stacking energy: -221.320 Base-Backbone interact. energy: -0.519 local terms energy: -381.047579 where: bonds (distance) C4'-P energy: -94.138 bonds (distance) P-C4' energy: -103.351 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2603.984592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.984592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.984592 (E_RNA) where: Base-Base interactions energy: -1847.479 where: short stacking energy: -756.751 Base-Backbone interact. energy: -1.984 local terms energy: -754.522351 where: bonds (distance) C4'-P energy: -148.597 bonds (distance) P-C4' energy: -150.587 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -191.298 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2504.375510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.375510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.375510 (E_RNA) where: Base-Base interactions energy: -1730.048 where: short stacking energy: -744.161 Base-Backbone interact. energy: -1.765 local terms energy: -772.562964 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -151.111 flat angles C4'-P-C4' energy: -170.620 flat angles P-C4'-P energy: -110.802 tors. eta vs tors. theta energy: -210.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2331.420545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.420545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.420545 (E_RNA) where: Base-Base interactions energy: -1585.716 where: short stacking energy: -713.357 Base-Backbone interact. energy: -1.090 local terms energy: -744.615375 where: bonds (distance) C4'-P energy: -136.686 bonds (distance) P-C4' energy: -146.950 flat angles C4'-P-C4' energy: -153.378 flat angles P-C4'-P energy: -103.003 tors. eta vs tors. theta energy: -204.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2129.015931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.015931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.015931 (E_RNA) where: Base-Base interactions energy: -1433.801 where: short stacking energy: -632.939 Base-Backbone interact. energy: -1.609 local terms energy: -693.605036 where: bonds (distance) C4'-P energy: -146.682 bonds (distance) P-C4' energy: -133.756 flat angles C4'-P-C4' energy: -143.750 flat angles P-C4'-P energy: -100.447 tors. eta vs tors. theta energy: -168.970 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: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1857.713646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.713646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.713646 (E_RNA) where: Base-Base interactions energy: -1241.702 where: short stacking energy: -538.018 Base-Backbone interact. energy: -1.305 local terms energy: -614.706415 where: bonds (distance) C4'-P energy: -132.998 bonds (distance) P-C4' energy: -136.828 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -78.299 tors. eta vs tors. theta energy: -133.365 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: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1908.032125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.032125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.032125 (E_RNA) where: Base-Base interactions energy: -1283.671 where: short stacking energy: -555.661 Base-Backbone interact. energy: 0.877 local terms energy: -625.237983 where: bonds (distance) C4'-P energy: -126.558 bonds (distance) P-C4' energy: -114.749 flat angles C4'-P-C4' energy: -144.908 flat angles P-C4'-P energy: -97.934 tors. eta vs tors. theta energy: -141.090 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: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1637.236552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.236552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.236552 (E_RNA) where: Base-Base interactions energy: -1065.653 where: short stacking energy: -449.391 Base-Backbone interact. energy: -1.444 local terms energy: -570.140074 where: bonds (distance) C4'-P energy: -124.926 bonds (distance) P-C4' energy: -149.459 flat angles C4'-P-C4' energy: -116.712 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -103.517 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: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1427.049478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.049478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.049478 (E_RNA) where: Base-Base interactions energy: -881.932 where: short stacking energy: -411.284 Base-Backbone interact. energy: 2.226 local terms energy: -547.342930 where: bonds (distance) C4'-P energy: -123.324 bonds (distance) P-C4' energy: -145.453 flat angles C4'-P-C4' energy: -118.364 flat angles P-C4'-P energy: -83.093 tors. eta vs tors. theta energy: -77.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1089.105690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.105690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.105690 (E_RNA) where: Base-Base interactions energy: -581.060 where: short stacking energy: -293.550 Base-Backbone interact. energy: -2.898 local terms energy: -505.148293 where: bonds (distance) C4'-P energy: -106.964 bonds (distance) P-C4' energy: -139.453 flat angles C4'-P-C4' energy: -128.580 flat angles P-C4'-P energy: -79.690 tors. eta vs tors. theta energy: -50.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -773.627688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.627688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.627688 (E_RNA) where: Base-Base interactions energy: -387.419 where: short stacking energy: -204.432 Base-Backbone interact. energy: 0.993 local terms energy: -387.201942 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -58.296 tors. eta vs tors. theta energy: 14.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2644.937920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.937920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.937920 (E_RNA) where: Base-Base interactions energy: -1846.709 where: short stacking energy: -744.285 Base-Backbone interact. energy: -3.555 local terms energy: -794.674500 where: bonds (distance) C4'-P energy: -161.628 bonds (distance) P-C4' energy: -147.192 flat angles C4'-P-C4' energy: -173.980 flat angles P-C4'-P energy: -108.479 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2514.306009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.306009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.306009 (E_RNA) where: Base-Base interactions energy: -1717.877 where: short stacking energy: -757.883 Base-Backbone interact. energy: -0.455 local terms energy: -795.973452 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -137.124 flat angles C4'-P-C4' energy: -171.011 flat angles P-C4'-P energy: -123.416 tors. eta vs tors. theta energy: -224.307 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: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2313.622664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.622664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.622664 (E_RNA) where: Base-Base interactions energy: -1538.945 where: short stacking energy: -695.053 Base-Backbone interact. energy: -1.063 local terms energy: -773.614579 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -147.326 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -203.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2140.645206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.645206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.645206 (E_RNA) where: Base-Base interactions energy: -1447.087 where: short stacking energy: -619.085 Base-Backbone interact. energy: 1.014 local terms energy: -694.572154 where: bonds (distance) C4'-P energy: -145.215 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -148.072 flat angles P-C4'-P energy: -95.742 tors. eta vs tors. theta energy: -178.722 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: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1899.035195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.035195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.035195 (E_RNA) where: Base-Base interactions energy: -1232.722 where: short stacking energy: -574.595 Base-Backbone interact. energy: -4.541 local terms energy: -661.772758 where: bonds (distance) C4'-P energy: -145.284 bonds (distance) P-C4' energy: -136.730 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: -148.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1860.535031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.535031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.535031 (E_RNA) where: Base-Base interactions energy: -1229.207 where: short stacking energy: -515.604 Base-Backbone interact. energy: -0.034 local terms energy: -631.293171 where: bonds (distance) C4'-P energy: -126.714 bonds (distance) P-C4' energy: -137.327 flat angles C4'-P-C4' energy: -150.030 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -126.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1699.774493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.774493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.774493 (E_RNA) where: Base-Base interactions energy: -1115.196 where: short stacking energy: -521.140 Base-Backbone interact. energy: -3.817 local terms energy: -580.760845 where: bonds (distance) C4'-P energy: -118.179 bonds (distance) P-C4' energy: -122.511 flat angles C4'-P-C4' energy: -131.785 flat angles P-C4'-P energy: -74.918 tors. eta vs tors. theta energy: -133.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1391.376933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.376933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.376933 (E_RNA) where: Base-Base interactions energy: -862.040 where: short stacking energy: -366.464 Base-Backbone interact. energy: 1.972 local terms energy: -531.308427 where: bonds (distance) C4'-P energy: -127.343 bonds (distance) P-C4' energy: -116.566 flat angles C4'-P-C4' energy: -127.269 flat angles P-C4'-P energy: -83.574 tors. eta vs tors. theta energy: -76.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1054.847031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.847031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.847031 (E_RNA) where: Base-Base interactions energy: -584.312 where: short stacking energy: -307.808 Base-Backbone interact. energy: -1.696 local terms energy: -468.838775 where: bonds (distance) C4'-P energy: -108.499 bonds (distance) P-C4' energy: -130.830 flat angles C4'-P-C4' energy: -113.554 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -48.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -685.570751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.570751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.570751 (E_RNA) where: Base-Base interactions energy: -304.560 where: short stacking energy: -197.626 Base-Backbone interact. energy: 2.241 local terms energy: -383.251853 where: bonds (distance) C4'-P energy: -110.335 bonds (distance) P-C4' energy: -123.628 flat angles C4'-P-C4' energy: -92.153 flat angles P-C4'-P energy: -63.827 tors. eta vs tors. theta energy: 6.692 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2626.253981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.253981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.253981 (E_RNA) where: Base-Base interactions energy: -1851.471 where: short stacking energy: -733.774 Base-Backbone interact. energy: -0.565 local terms energy: -774.217725 where: bonds (distance) C4'-P energy: -152.099 bonds (distance) P-C4' energy: -141.494 flat angles C4'-P-C4' energy: -171.146 flat angles P-C4'-P energy: -112.267 tors. eta vs tors. theta energy: -197.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2508.782525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.782525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.782525 (E_RNA) where: Base-Base interactions energy: -1718.637 where: short stacking energy: -774.063 Base-Backbone interact. energy: -0.163 local terms energy: -789.982837 where: bonds (distance) C4'-P energy: -143.110 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -176.105 flat angles P-C4'-P energy: -96.985 tors. eta vs tors. theta energy: -235.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2361.111311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.111311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.111311 (E_RNA) where: Base-Base interactions energy: -1603.199 where: short stacking energy: -722.989 Base-Backbone interact. energy: -4.389 local terms energy: -753.523521 where: bonds (distance) C4'-P energy: -137.029 bonds (distance) P-C4' energy: -130.470 flat angles C4'-P-C4' energy: -164.413 flat angles P-C4'-P energy: -116.587 tors. eta vs tors. theta energy: -205.023 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: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2147.867170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.867170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.867170 (E_RNA) where: Base-Base interactions energy: -1421.798 where: short stacking energy: -619.171 Base-Backbone interact. energy: -3.343 local terms energy: -722.726189 where: bonds (distance) C4'-P energy: -140.025 bonds (distance) P-C4' energy: -148.791 flat angles C4'-P-C4' energy: -157.068 flat angles P-C4'-P energy: -103.045 tors. eta vs tors. theta energy: -173.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1930.891506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.891506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.891506 (E_RNA) where: Base-Base interactions energy: -1267.519 where: short stacking energy: -575.853 Base-Backbone interact. energy: 0.204 local terms energy: -663.576713 where: bonds (distance) C4'-P energy: -137.349 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -144.502 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -156.943 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: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1836.113638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.113638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.113638 (E_RNA) where: Base-Base interactions energy: -1206.620 where: short stacking energy: -513.695 Base-Backbone interact. energy: -0.714 local terms energy: -628.779998 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -144.332 flat angles P-C4'-P energy: -100.797 tors. eta vs tors. theta energy: -116.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1712.307142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.307142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.307142 (E_RNA) where: Base-Base interactions energy: -1113.281 where: short stacking energy: -476.877 Base-Backbone interact. energy: -1.819 local terms energy: -597.207235 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -128.050 flat angles P-C4'-P energy: -80.104 tors. eta vs tors. theta energy: -106.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1377.749893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.749893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.749893 (E_RNA) where: Base-Base interactions energy: -876.215 where: short stacking energy: -409.290 Base-Backbone interact. energy: -3.485 local terms energy: -498.050242 where: bonds (distance) C4'-P energy: -84.506 bonds (distance) P-C4' energy: -131.301 flat angles C4'-P-C4' energy: -120.872 flat angles P-C4'-P energy: -99.247 tors. eta vs tors. theta energy: -62.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1086.012646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.012646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.012646 (E_RNA) where: Base-Base interactions energy: -601.395 where: short stacking energy: -290.107 Base-Backbone interact. energy: 5.499 local terms energy: -490.116211 where: bonds (distance) C4'-P energy: -130.919 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -116.788 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -35.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -668.588223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.588223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.588223 (E_RNA) where: Base-Base interactions energy: -283.552 where: short stacking energy: -169.562 Base-Backbone interact. energy: -1.316 local terms energy: -383.720224 where: bonds (distance) C4'-P energy: -115.093 bonds (distance) P-C4' energy: -129.370 flat angles C4'-P-C4' energy: -94.290 flat angles P-C4'-P energy: -72.102 tors. eta vs tors. theta energy: 27.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2630.051991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.051991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.051991 (E_RNA) where: Base-Base interactions energy: -1865.752 where: short stacking energy: -743.307 Base-Backbone interact. energy: -1.445 local terms energy: -762.854490 where: bonds (distance) C4'-P energy: -135.578 bonds (distance) P-C4' energy: -166.224 flat angles C4'-P-C4' energy: -161.090 flat angles P-C4'-P energy: -101.198 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: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2517.909677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.909677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.909677 (E_RNA) where: Base-Base interactions energy: -1741.029 where: short stacking energy: -770.788 Base-Backbone interact. energy: -0.514 local terms energy: -776.367012 where: bonds (distance) C4'-P energy: -132.401 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -159.913 flat angles P-C4'-P energy: -105.172 tors. eta vs tors. theta energy: -230.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2327.510705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.510705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.510705 (E_RNA) where: Base-Base interactions energy: -1583.028 where: short stacking energy: -701.925 Base-Backbone interact. energy: 0.856 local terms energy: -745.338972 where: bonds (distance) C4'-P energy: -149.703 bonds (distance) P-C4' energy: -145.970 flat angles C4'-P-C4' energy: -151.208 flat angles P-C4'-P energy: -90.809 tors. eta vs tors. theta energy: -207.648 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2093.070886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.070886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.070886 (E_RNA) where: Base-Base interactions energy: -1427.493 where: short stacking energy: -589.397 Base-Backbone interact. energy: -2.597 local terms energy: -662.980297 where: bonds (distance) C4'-P energy: -132.764 bonds (distance) P-C4' energy: -146.076 flat angles C4'-P-C4' energy: -145.890 flat angles P-C4'-P energy: -92.716 tors. eta vs tors. theta energy: -145.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1917.776271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.776271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.776271 (E_RNA) where: Base-Base interactions energy: -1289.859 where: short stacking energy: -576.650 Base-Backbone interact. energy: 2.710 local terms energy: -630.626545 where: bonds (distance) C4'-P energy: -125.730 bonds (distance) P-C4' energy: -123.937 flat angles C4'-P-C4' energy: -162.649 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -142.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1851.946093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.946093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.946093 (E_RNA) where: Base-Base interactions energy: -1195.877 where: short stacking energy: -562.125 Base-Backbone interact. energy: 0.134 local terms energy: -656.202342 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -134.059 flat angles C4'-P-C4' energy: -157.260 flat angles P-C4'-P energy: -79.227 tors. eta vs tors. theta energy: -160.336 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1644.051481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.051481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.051481 (E_RNA) where: Base-Base interactions energy: -1104.344 where: short stacking energy: -490.907 Base-Backbone interact. energy: -1.379 local terms energy: -538.328923 where: bonds (distance) C4'-P energy: -120.876 bonds (distance) P-C4' energy: -127.517 flat angles C4'-P-C4' energy: -132.730 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -86.467 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: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1403.685372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.685372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.685372 (E_RNA) where: Base-Base interactions energy: -886.230 where: short stacking energy: -382.280 Base-Backbone interact. energy: -1.668 local terms energy: -515.787356 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -131.899 flat angles C4'-P-C4' energy: -123.186 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -76.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1093.536051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.536051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.536051 (E_RNA) where: Base-Base interactions energy: -640.144 where: short stacking energy: -320.537 Base-Backbone interact. energy: 3.026 local terms energy: -456.417945 where: bonds (distance) C4'-P energy: -121.090 bonds (distance) P-C4' energy: -123.390 flat angles C4'-P-C4' energy: -105.752 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -39.871 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: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -694.620055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.620055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.620055 (E_RNA) where: Base-Base interactions energy: -316.659 where: short stacking energy: -235.108 Base-Backbone interact. energy: 0.751 local terms energy: -378.711243 where: bonds (distance) C4'-P energy: -108.791 bonds (distance) P-C4' energy: -120.671 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: 13.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2646.613207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.613207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.613207 (E_RNA) where: Base-Base interactions energy: -1868.835 where: short stacking energy: -726.102 Base-Backbone interact. energy: 4.148 local terms energy: -781.926818 where: bonds (distance) C4'-P energy: -144.528 bonds (distance) P-C4' energy: -151.418 flat angles C4'-P-C4' energy: -167.177 flat angles P-C4'-P energy: -120.416 tors. eta vs tors. theta energy: -198.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2506.354957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.354957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.354957 (E_RNA) where: Base-Base interactions energy: -1725.202 where: short stacking energy: -753.828 Base-Backbone interact. energy: -2.373 local terms energy: -778.780441 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -146.747 flat angles C4'-P-C4' energy: -168.260 flat angles P-C4'-P energy: -106.510 tors. eta vs tors. theta energy: -220.293 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: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2326.200355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.200355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.200355 (E_RNA) where: Base-Base interactions energy: -1587.573 where: short stacking energy: -688.174 Base-Backbone interact. energy: 0.015 local terms energy: -738.641710 where: bonds (distance) C4'-P energy: -144.628 bonds (distance) P-C4' energy: -133.071 flat angles C4'-P-C4' energy: -155.926 flat angles P-C4'-P energy: -105.401 tors. eta vs tors. theta energy: -199.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2148.110258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.110258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.110258 (E_RNA) where: Base-Base interactions energy: -1442.136 where: short stacking energy: -645.292 Base-Backbone interact. energy: -3.174 local terms energy: -702.800778 where: bonds (distance) C4'-P energy: -128.887 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -160.123 flat angles P-C4'-P energy: -104.147 tors. eta vs tors. theta energy: -169.767 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1919.168165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.168165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.168165 (E_RNA) where: Base-Base interactions energy: -1276.544 where: short stacking energy: -547.257 Base-Backbone interact. energy: -4.654 local terms energy: -637.969801 where: bonds (distance) C4'-P energy: -138.870 bonds (distance) P-C4' energy: -139.404 flat angles C4'-P-C4' energy: -142.320 flat angles P-C4'-P energy: -79.863 tors. eta vs tors. theta energy: -137.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1797.304693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.304693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.304693 (E_RNA) where: Base-Base interactions energy: -1185.003 where: short stacking energy: -532.272 Base-Backbone interact. energy: -3.549 local terms energy: -608.752701 where: bonds (distance) C4'-P energy: -125.979 bonds (distance) P-C4' energy: -130.264 flat angles C4'-P-C4' energy: -146.414 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -131.297 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: 125 Temperature: 1.200000 Total energy: -1692.713089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.713089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.713089 (E_RNA) where: Base-Base interactions energy: -1099.359 where: short stacking energy: -489.400 Base-Backbone interact. energy: 1.215 local terms energy: -594.568963 where: bonds (distance) C4'-P energy: -142.838 bonds (distance) P-C4' energy: -110.179 flat angles C4'-P-C4' energy: -131.735 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -115.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1378.478197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.478197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.478197 (E_RNA) where: Base-Base interactions energy: -851.118 where: short stacking energy: -378.806 Base-Backbone interact. energy: -0.521 local terms energy: -526.839415 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -125.489 flat angles C4'-P-C4' energy: -116.696 flat angles P-C4'-P energy: -91.720 tors. eta vs tors. theta energy: -64.471 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: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1082.648390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.648390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.648390 (E_RNA) where: Base-Base interactions energy: -597.916 where: short stacking energy: -312.928 Base-Backbone interact. energy: 0.791 local terms energy: -485.524119 where: bonds (distance) C4'-P energy: -115.215 bonds (distance) P-C4' energy: -126.603 flat angles C4'-P-C4' energy: -114.962 flat angles P-C4'-P energy: -85.297 tors. eta vs tors. theta energy: -43.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -705.944622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.944622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.944622 (E_RNA) where: Base-Base interactions energy: -310.656 where: short stacking energy: -223.566 Base-Backbone interact. energy: -0.760 local terms energy: -394.528617 where: bonds (distance) C4'-P energy: -104.219 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -124.031 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2617.506402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.506402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.506402 (E_RNA) where: Base-Base interactions energy: -1838.571 where: short stacking energy: -762.529 Base-Backbone interact. energy: 1.508 local terms energy: -780.443791 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -141.748 flat angles C4'-P-C4' energy: -158.208 flat angles P-C4'-P energy: -122.809 tors. eta vs tors. theta energy: -203.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2528.023438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.023438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.023438 (E_RNA) where: Base-Base interactions energy: -1734.290 where: short stacking energy: -784.117 Base-Backbone interact. energy: 2.437 local terms energy: -796.169893 where: bonds (distance) C4'-P energy: -140.400 bonds (distance) P-C4' energy: -149.927 flat angles C4'-P-C4' energy: -167.840 flat angles P-C4'-P energy: -107.499 tors. eta vs tors. theta energy: -230.503 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: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2388.708779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.708779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.708779 (E_RNA) where: Base-Base interactions energy: -1590.558 where: short stacking energy: -746.179 Base-Backbone interact. energy: -1.426 local terms energy: -796.725043 where: bonds (distance) C4'-P energy: -155.942 bonds (distance) P-C4' energy: -157.275 flat angles C4'-P-C4' energy: -149.699 flat angles P-C4'-P energy: -111.592 tors. eta vs tors. theta energy: -222.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2151.058543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.058543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.058543 (E_RNA) where: Base-Base interactions energy: -1449.819 where: short stacking energy: -624.052 Base-Backbone interact. energy: -2.162 local terms energy: -699.077711 where: bonds (distance) C4'-P energy: -145.544 bonds (distance) P-C4' energy: -128.496 flat angles C4'-P-C4' energy: -156.850 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -173.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1924.762752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.762752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.762752 (E_RNA) where: Base-Base interactions energy: -1284.419 where: short stacking energy: -539.917 Base-Backbone interact. energy: 1.384 local terms energy: -641.727724 where: bonds (distance) C4'-P energy: -133.812 bonds (distance) P-C4' energy: -141.119 flat angles C4'-P-C4' energy: -140.223 flat angles P-C4'-P energy: -88.948 tors. eta vs tors. theta energy: -137.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1781.444498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.444498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.444498 (E_RNA) where: Base-Base interactions energy: -1164.051 where: short stacking energy: -530.457 Base-Backbone interact. energy: -0.954 local terms energy: -616.439138 where: bonds (distance) C4'-P energy: -126.606 bonds (distance) P-C4' energy: -138.848 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -71.258 tors. eta vs tors. theta energy: -138.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1753.248044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.248044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.248044 (E_RNA) where: Base-Base interactions energy: -1154.139 where: short stacking energy: -512.951 Base-Backbone interact. energy: -2.532 local terms energy: -596.576826 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -146.719 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -117.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1404.155830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.155830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.155830 (E_RNA) where: Base-Base interactions energy: -951.141 where: short stacking energy: -399.472 Base-Backbone interact. energy: 4.492 local terms energy: -457.506789 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -107.500 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -53.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1108.167322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.167322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.167322 (E_RNA) where: Base-Base interactions energy: -626.330 where: short stacking energy: -315.975 Base-Backbone interact. energy: 2.414 local terms energy: -484.250958 where: bonds (distance) C4'-P energy: -118.198 bonds (distance) P-C4' energy: -115.685 flat angles C4'-P-C4' energy: -133.755 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -43.892 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: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -709.887752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.887752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.887752 (E_RNA) where: Base-Base interactions energy: -335.059 where: short stacking energy: -215.979 Base-Backbone interact. energy: 1.639 local terms energy: -376.467331 where: bonds (distance) C4'-P energy: -100.291 bonds (distance) P-C4' energy: -109.406 flat angles C4'-P-C4' energy: -128.567 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: 12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2602.673670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.673670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.673670 (E_RNA) where: Base-Base interactions energy: -1816.132 where: short stacking energy: -721.452 Base-Backbone interact. energy: -0.031 local terms energy: -786.510575 where: bonds (distance) C4'-P energy: -155.684 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -164.190 flat angles P-C4'-P energy: -107.692 tors. eta vs tors. theta energy: -207.739 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: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2547.516864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.516864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.516864 (E_RNA) where: Base-Base interactions energy: -1774.559 where: short stacking energy: -778.034 Base-Backbone interact. energy: -0.234 local terms energy: -772.724795 where: bonds (distance) C4'-P energy: -120.981 bonds (distance) P-C4' energy: -148.180 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -108.396 tors. eta vs tors. theta energy: -219.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2360.487766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.487766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.487766 (E_RNA) where: Base-Base interactions energy: -1613.728 where: short stacking energy: -720.508 Base-Backbone interact. energy: -4.518 local terms energy: -742.241746 where: bonds (distance) C4'-P energy: -128.028 bonds (distance) P-C4' energy: -141.150 flat angles C4'-P-C4' energy: -161.820 flat angles P-C4'-P energy: -101.709 tors. eta vs tors. theta energy: -209.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2090.466252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.466252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.466252 (E_RNA) where: Base-Base interactions energy: -1402.401 where: short stacking energy: -606.082 Base-Backbone interact. energy: -2.745 local terms energy: -685.320926 where: bonds (distance) C4'-P energy: -132.933 bonds (distance) P-C4' energy: -122.510 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -115.525 tors. eta vs tors. theta energy: -166.726 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: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1935.987573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.987573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.987573 (E_RNA) where: Base-Base interactions energy: -1286.906 where: short stacking energy: -570.396 Base-Backbone interact. energy: -2.566 local terms energy: -646.515690 where: bonds (distance) C4'-P energy: -123.058 bonds (distance) P-C4' energy: -129.601 flat angles C4'-P-C4' energy: -153.094 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -142.643 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: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1811.874863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.874863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.874863 (E_RNA) where: Base-Base interactions energy: -1242.251 where: short stacking energy: -540.837 Base-Backbone interact. energy: -2.605 local terms energy: -567.019274 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -111.177 flat angles C4'-P-C4' energy: -144.357 flat angles P-C4'-P energy: -82.224 tors. eta vs tors. theta energy: -119.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1731.605443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.605443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.605443 (E_RNA) where: Base-Base interactions energy: -1111.758 where: short stacking energy: -489.221 Base-Backbone interact. energy: 0.123 local terms energy: -619.971333 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -141.814 flat angles C4'-P-C4' energy: -129.320 flat angles P-C4'-P energy: -95.091 tors. eta vs tors. theta energy: -132.850 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: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1308.819100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.819100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.819100 (E_RNA) where: Base-Base interactions energy: -799.323 where: short stacking energy: -380.601 Base-Backbone interact. energy: 2.217 local terms energy: -511.713716 where: bonds (distance) C4'-P energy: -135.197 bonds (distance) P-C4' energy: -124.094 flat angles C4'-P-C4' energy: -112.973 flat angles P-C4'-P energy: -76.735 tors. eta vs tors. theta energy: -62.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1124.836278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.836278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.836278 (E_RNA) where: Base-Base interactions energy: -627.816 where: short stacking energy: -326.304 Base-Backbone interact. energy: -1.634 local terms energy: -495.386364 where: bonds (distance) C4'-P energy: -119.314 bonds (distance) P-C4' energy: -129.041 flat angles C4'-P-C4' energy: -124.484 flat angles P-C4'-P energy: -60.083 tors. eta vs tors. theta energy: -62.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -719.262323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.262323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.262323 (E_RNA) where: Base-Base interactions energy: -314.706 where: short stacking energy: -188.686 Base-Backbone interact. energy: 1.148 local terms energy: -405.704275 where: bonds (distance) C4'-P energy: -115.765 bonds (distance) P-C4' energy: -119.756 flat angles C4'-P-C4' energy: -96.699 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: 6.145 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: 128 Temperature: 0.900000 Total energy: -2574.678927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.678927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.678927 (E_RNA) where: Base-Base interactions energy: -1764.023 where: short stacking energy: -778.033 Base-Backbone interact. energy: -4.768 local terms energy: -805.888144 where: bonds (distance) C4'-P energy: -145.983 bonds (distance) P-C4' energy: -140.747 flat angles C4'-P-C4' energy: -174.157 flat angles P-C4'-P energy: -115.937 tors. eta vs tors. theta energy: -229.064 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: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2514.215343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.215343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.215343 (E_RNA) where: Base-Base interactions energy: -1793.657 where: short stacking energy: -740.408 Base-Backbone interact. energy: -2.360 local terms energy: -718.199122 where: bonds (distance) C4'-P energy: -127.846 bonds (distance) P-C4' energy: -135.777 flat angles C4'-P-C4' energy: -161.965 flat angles P-C4'-P energy: -92.206 tors. eta vs tors. theta energy: -200.405 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: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2351.388984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.388984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.388984 (E_RNA) where: Base-Base interactions energy: -1608.009 where: short stacking energy: -706.367 Base-Backbone interact. energy: -4.776 local terms energy: -738.604369 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -140.305 flat angles C4'-P-C4' energy: -165.161 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -210.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2078.095479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.095479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.095479 (E_RNA) where: Base-Base interactions energy: -1342.828 where: short stacking energy: -591.005 Base-Backbone interact. energy: -2.445 local terms energy: -732.822485 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -161.462 flat angles P-C4'-P energy: -103.919 tors. eta vs tors. theta energy: -175.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1934.250199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.250199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.250199 (E_RNA) where: Base-Base interactions energy: -1262.939 where: short stacking energy: -560.991 Base-Backbone interact. energy: 3.246 local terms energy: -674.556975 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -151.098 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -100.348 tors. eta vs tors. theta energy: -138.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1814.777730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.777730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.777730 (E_RNA) where: Base-Base interactions energy: -1211.732 where: short stacking energy: -532.951 Base-Backbone interact. energy: -3.972 local terms energy: -599.074288 where: bonds (distance) C4'-P energy: -123.521 bonds (distance) P-C4' energy: -123.660 flat angles C4'-P-C4' energy: -137.891 flat angles P-C4'-P energy: -84.966 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: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1671.253828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.253828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.253828 (E_RNA) where: Base-Base interactions energy: -1070.492 where: short stacking energy: -504.104 Base-Backbone interact. energy: -3.362 local terms energy: -597.400672 where: bonds (distance) C4'-P energy: -106.107 bonds (distance) P-C4' energy: -128.153 flat angles C4'-P-C4' energy: -144.553 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -129.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1413.286805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.286805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.286805 (E_RNA) where: Base-Base interactions energy: -900.950 where: short stacking energy: -420.112 Base-Backbone interact. energy: -0.808 local terms energy: -511.528717 where: bonds (distance) C4'-P energy: -130.729 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -136.983 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -70.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1125.021140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.021140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.021140 (E_RNA) where: Base-Base interactions energy: -644.129 where: short stacking energy: -311.928 Base-Backbone interact. energy: 2.195 local terms energy: -483.087630 where: bonds (distance) C4'-P energy: -120.432 bonds (distance) P-C4' energy: -139.580 flat angles C4'-P-C4' energy: -107.439 flat angles P-C4'-P energy: -73.013 tors. eta vs tors. theta energy: -42.624 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: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -798.079799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.079799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.079799 (E_RNA) where: Base-Base interactions energy: -402.628 where: short stacking energy: -219.581 Base-Backbone interact. energy: 5.093 local terms energy: -400.545105 where: bonds (distance) C4'-P energy: -129.183 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -98.217 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2591.745717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.745717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.745717 (E_RNA) where: Base-Base interactions energy: -1773.812 where: short stacking energy: -785.892 Base-Backbone interact. energy: -3.206 local terms energy: -814.727855 where: bonds (distance) C4'-P energy: -147.874 bonds (distance) P-C4' energy: -151.005 flat angles C4'-P-C4' energy: -174.197 flat angles P-C4'-P energy: -115.209 tors. eta vs tors. theta energy: -226.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2534.674034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.674034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.674034 (E_RNA) where: Base-Base interactions energy: -1781.384 where: short stacking energy: -719.408 Base-Backbone interact. energy: -0.344 local terms energy: -752.945469 where: bonds (distance) C4'-P energy: -158.416 bonds (distance) P-C4' energy: -131.609 flat angles C4'-P-C4' energy: -161.940 flat angles P-C4'-P energy: -101.834 tors. eta vs tors. theta energy: -199.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2370.251152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.251152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.251152 (E_RNA) where: Base-Base interactions energy: -1629.636 where: short stacking energy: -740.251 Base-Backbone interact. energy: -2.704 local terms energy: -737.911611 where: bonds (distance) C4'-P energy: -138.612 bonds (distance) P-C4' energy: -120.293 flat angles C4'-P-C4' energy: -164.157 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -215.831 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: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2122.114764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.114764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.114764 (E_RNA) where: Base-Base interactions energy: -1421.160 where: short stacking energy: -614.096 Base-Backbone interact. energy: -3.561 local terms energy: -697.393722 where: bonds (distance) C4'-P energy: -121.142 bonds (distance) P-C4' energy: -132.895 flat angles C4'-P-C4' energy: -163.386 flat angles P-C4'-P energy: -91.317 tors. eta vs tors. theta energy: -188.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1968.645197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.645197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.645197 (E_RNA) where: Base-Base interactions energy: -1308.011 where: short stacking energy: -565.245 Base-Backbone interact. energy: -2.327 local terms energy: -658.306924 where: bonds (distance) C4'-P energy: -128.972 bonds (distance) P-C4' energy: -134.731 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -97.859 tors. eta vs tors. theta energy: -148.455 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: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1743.343953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.343953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.343953 (E_RNA) where: Base-Base interactions energy: -1153.249 where: short stacking energy: -531.989 Base-Backbone interact. energy: -2.944 local terms energy: -587.151134 where: bonds (distance) C4'-P energy: -109.710 bonds (distance) P-C4' energy: -111.001 flat angles C4'-P-C4' energy: -149.587 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -122.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1707.065783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.065783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.065783 (E_RNA) where: Base-Base interactions energy: -1088.650 where: short stacking energy: -493.959 Base-Backbone interact. energy: 0.202 local terms energy: -618.617393 where: bonds (distance) C4'-P energy: -125.194 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -133.587 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -134.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1461.319390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.319390 (E_RNA) where: Base-Base interactions energy: -939.864 where: short stacking energy: -438.198 Base-Backbone interact. energy: 2.496 local terms energy: -523.951005 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -119.925 flat angles C4'-P-C4' energy: -131.871 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -92.982 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1133.082448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.082448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.082448 (E_RNA) where: Base-Base interactions energy: -660.186 where: short stacking energy: -311.719 Base-Backbone interact. energy: 0.723 local terms energy: -473.619634 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -126.918 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -77.937 tors. eta vs tors. theta energy: -43.549 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: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -772.302999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.302999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.302999 (E_RNA) where: Base-Base interactions energy: -374.646 where: short stacking energy: -212.301 Base-Backbone interact. energy: -0.735 local terms energy: -396.921916 where: bonds (distance) C4'-P energy: -121.205 bonds (distance) P-C4' energy: -123.559 flat angles C4'-P-C4' energy: -93.024 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: 6.341 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: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2600.988485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.988485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.988485 (E_RNA) where: Base-Base interactions energy: -1793.071 where: short stacking energy: -787.902 Base-Backbone interact. energy: -4.137 local terms energy: -803.780344 where: bonds (distance) C4'-P energy: -140.836 bonds (distance) P-C4' energy: -156.427 flat angles C4'-P-C4' energy: -171.617 flat angles P-C4'-P energy: -114.755 tors. eta vs tors. theta energy: -220.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2505.961291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.961291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.961291 (E_RNA) where: Base-Base interactions energy: -1760.445 where: short stacking energy: -711.789 Base-Backbone interact. energy: -2.044 local terms energy: -743.472202 where: bonds (distance) C4'-P energy: -119.446 bonds (distance) P-C4' energy: -158.487 flat angles C4'-P-C4' energy: -165.438 flat angles P-C4'-P energy: -104.916 tors. eta vs tors. theta energy: -195.186 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2347.825280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.825280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.825280 (E_RNA) where: Base-Base interactions energy: -1608.967 where: short stacking energy: -703.326 Base-Backbone interact. energy: 0.405 local terms energy: -739.263367 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -142.446 flat angles C4'-P-C4' energy: -148.125 flat angles P-C4'-P energy: -97.626 tors. eta vs tors. theta energy: -214.978 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: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2210.436155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.436155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.436155 (E_RNA) where: Base-Base interactions energy: -1506.007 where: short stacking energy: -671.605 Base-Backbone interact. energy: -0.596 local terms energy: -703.832375 where: bonds (distance) C4'-P energy: -117.920 bonds (distance) P-C4' energy: -126.259 flat angles C4'-P-C4' energy: -154.654 flat angles P-C4'-P energy: -107.098 tors. eta vs tors. theta energy: -197.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1971.247230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.247230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.247230 (E_RNA) where: Base-Base interactions energy: -1320.234 where: short stacking energy: -567.404 Base-Backbone interact. energy: 0.440 local terms energy: -651.453007 where: bonds (distance) C4'-P energy: -125.415 bonds (distance) P-C4' energy: -143.798 flat angles C4'-P-C4' energy: -151.194 flat angles P-C4'-P energy: -86.610 tors. eta vs tors. theta energy: -144.436 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: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1726.338496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.338496 (E_RNA) where: Base-Base interactions energy: -1101.558 where: short stacking energy: -510.404 Base-Backbone interact. energy: -2.145 local terms energy: -622.636291 where: bonds (distance) C4'-P energy: -111.662 bonds (distance) P-C4' energy: -146.353 flat angles C4'-P-C4' energy: -145.335 flat angles P-C4'-P energy: -96.574 tors. eta vs tors. theta energy: -122.712 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: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1598.761421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.761421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.761421 (E_RNA) where: Base-Base interactions energy: -1019.404 where: short stacking energy: -451.253 Base-Backbone interact. energy: -3.702 local terms energy: -575.655350 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -131.053 flat angles C4'-P-C4' energy: -146.075 flat angles P-C4'-P energy: -71.423 tors. eta vs tors. theta energy: -101.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1435.288740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.288740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.288740 (E_RNA) where: Base-Base interactions energy: -895.136 where: short stacking energy: -414.916 Base-Backbone interact. energy: 2.080 local terms energy: -542.232469 where: bonds (distance) C4'-P energy: -129.870 bonds (distance) P-C4' energy: -136.468 flat angles C4'-P-C4' energy: -128.688 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -79.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1139.891849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.891849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.891849 (E_RNA) where: Base-Base interactions energy: -675.368 where: short stacking energy: -340.903 Base-Backbone interact. energy: 5.096 local terms energy: -469.620183 where: bonds (distance) C4'-P energy: -92.824 bonds (distance) P-C4' energy: -125.001 flat angles C4'-P-C4' energy: -125.223 flat angles P-C4'-P energy: -74.541 tors. eta vs tors. theta energy: -52.030 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: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -751.015435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.015435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.015435 (E_RNA) where: Base-Base interactions energy: -374.962 where: short stacking energy: -203.390 Base-Backbone interact. energy: 2.913 local terms energy: -378.966403 where: bonds (distance) C4'-P energy: -111.031 bonds (distance) P-C4' energy: -131.331 flat angles C4'-P-C4' energy: -101.775 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: 19.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2610.665863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.665863 (E_RNA) where: Base-Base interactions energy: -1778.302 where: short stacking energy: -754.766 Base-Backbone interact. energy: -1.897 local terms energy: -830.466105 where: bonds (distance) C4'-P energy: -157.475 bonds (distance) P-C4' energy: -163.142 flat angles C4'-P-C4' energy: -171.759 flat angles P-C4'-P energy: -116.421 tors. eta vs tors. theta energy: -221.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2498.215917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.215917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.215917 (E_RNA) where: Base-Base interactions energy: -1725.445 where: short stacking energy: -708.667 Base-Backbone interact. energy: -2.017 local terms energy: -770.753958 where: bonds (distance) C4'-P energy: -142.737 bonds (distance) P-C4' energy: -147.735 flat angles C4'-P-C4' energy: -161.921 flat angles P-C4'-P energy: -115.507 tors. eta vs tors. theta energy: -202.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2335.917811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.917811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.917811 (E_RNA) where: Base-Base interactions energy: -1589.305 where: short stacking energy: -681.231 Base-Backbone interact. energy: -1.748 local terms energy: -744.865086 where: bonds (distance) C4'-P energy: -136.064 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -159.159 flat angles P-C4'-P energy: -105.116 tors. eta vs tors. theta energy: -209.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2155.642550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.642550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.642550 (E_RNA) where: Base-Base interactions energy: -1464.465 where: short stacking energy: -624.407 Base-Backbone interact. energy: -1.715 local terms energy: -689.462180 where: bonds (distance) C4'-P energy: -134.559 bonds (distance) P-C4' energy: -142.733 flat angles C4'-P-C4' energy: -151.984 flat angles P-C4'-P energy: -96.133 tors. eta vs tors. theta energy: -164.053 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2026.474530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.474530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.474530 (E_RNA) where: Base-Base interactions energy: -1350.159 where: short stacking energy: -586.749 Base-Backbone interact. energy: 1.051 local terms energy: -677.366796 where: bonds (distance) C4'-P energy: -136.928 bonds (distance) P-C4' energy: -149.354 flat angles C4'-P-C4' energy: -151.793 flat angles P-C4'-P energy: -85.532 tors. eta vs tors. theta energy: -153.760 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: 131 Temperature: 1.150000 Total energy: -1750.802387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.802387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.802387 (E_RNA) where: Base-Base interactions energy: -1137.761 where: short stacking energy: -514.423 Base-Backbone interact. energy: 3.981 local terms energy: -617.022338 where: bonds (distance) C4'-P energy: -126.385 bonds (distance) P-C4' energy: -127.666 flat angles C4'-P-C4' energy: -145.023 flat angles P-C4'-P energy: -92.198 tors. eta vs tors. theta energy: -125.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1468.588221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.588221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.588221 (E_RNA) where: Base-Base interactions energy: -920.417 where: short stacking energy: -424.376 Base-Backbone interact. energy: -1.181 local terms energy: -546.989364 where: bonds (distance) C4'-P energy: -127.297 bonds (distance) P-C4' energy: -138.603 flat angles C4'-P-C4' energy: -123.815 flat angles P-C4'-P energy: -80.644 tors. eta vs tors. theta energy: -76.630 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: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1385.702803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.702803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.702803 (E_RNA) where: Base-Base interactions energy: -870.934 where: short stacking energy: -416.152 Base-Backbone interact. energy: 3.644 local terms energy: -518.413666 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -100.353 flat angles C4'-P-C4' energy: -128.033 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -70.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1140.491585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.491585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.491585 (E_RNA) where: Base-Base interactions energy: -681.659 where: short stacking energy: -349.425 Base-Backbone interact. energy: -1.674 local terms energy: -457.158294 where: bonds (distance) C4'-P energy: -118.769 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -118.869 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: -71.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -747.830321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.830321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.830321 (E_RNA) where: Base-Base interactions energy: -352.568 where: short stacking energy: -201.840 Base-Backbone interact. energy: 8.091 local terms energy: -403.353513 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: 8.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2605.792903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.792903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.792903 (E_RNA) where: Base-Base interactions energy: -1799.193 where: short stacking energy: -765.349 Base-Backbone interact. energy: -3.456 local terms energy: -803.143779 where: bonds (distance) C4'-P energy: -153.367 bonds (distance) P-C4' energy: -148.260 flat angles C4'-P-C4' energy: -168.546 flat angles P-C4'-P energy: -105.287 tors. eta vs tors. theta energy: -227.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2506.383055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.383055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.383055 (E_RNA) where: Base-Base interactions energy: -1750.838 where: short stacking energy: -703.389 Base-Backbone interact. energy: -1.698 local terms energy: -753.847597 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -154.787 flat angles C4'-P-C4' energy: -160.639 flat angles P-C4'-P energy: -108.819 tors. eta vs tors. theta energy: -185.442 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: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2349.937165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.937165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.937165 (E_RNA) where: Base-Base interactions energy: -1594.645 where: short stacking energy: -706.233 Base-Backbone interact. energy: 2.140 local terms energy: -757.432497 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -142.817 flat angles C4'-P-C4' energy: -151.134 flat angles P-C4'-P energy: -107.649 tors. eta vs tors. theta energy: -212.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2224.556446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.556446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.556446 (E_RNA) where: Base-Base interactions energy: -1530.587 where: short stacking energy: -638.385 Base-Backbone interact. energy: -2.534 local terms energy: -691.435184 where: bonds (distance) C4'-P energy: -128.781 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -153.548 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -175.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2019.178157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.178157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.178157 (E_RNA) where: Base-Base interactions energy: -1367.990 where: short stacking energy: -571.900 Base-Backbone interact. energy: 2.021 local terms energy: -653.209442 where: bonds (distance) C4'-P energy: -122.190 bonds (distance) P-C4' energy: -142.660 flat angles C4'-P-C4' energy: -146.575 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -159.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1739.951357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.951357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.951357 (E_RNA) where: Base-Base interactions energy: -1109.805 where: short stacking energy: -503.062 Base-Backbone interact. energy: 0.758 local terms energy: -630.904434 where: bonds (distance) C4'-P energy: -106.670 bonds (distance) P-C4' energy: -150.074 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -125.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1567.733190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.733190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.733190 (E_RNA) where: Base-Base interactions energy: -997.311 where: short stacking energy: -478.626 Base-Backbone interact. energy: 2.139 local terms energy: -572.560810 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -147.484 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -88.661 tors. eta vs tors. theta energy: -102.835 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: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1353.595572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.595572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.595572 (E_RNA) where: Base-Base interactions energy: -861.479 where: short stacking energy: -398.132 Base-Backbone interact. energy: -0.094 local terms energy: -492.022059 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -112.124 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -66.649 tors. eta vs tors. theta energy: -72.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1202.847972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.847972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.847972 (E_RNA) where: Base-Base interactions energy: -724.047 where: short stacking energy: -364.658 Base-Backbone interact. energy: 4.793 local terms energy: -483.594324 where: bonds (distance) C4'-P energy: -109.860 bonds (distance) P-C4' energy: -109.567 flat angles C4'-P-C4' energy: -134.945 flat angles P-C4'-P energy: -67.331 tors. eta vs tors. theta energy: -61.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -765.338565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.338565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.338565 (E_RNA) where: Base-Base interactions energy: -366.892 where: short stacking energy: -209.708 Base-Backbone interact. energy: -2.112 local terms energy: -396.335404 where: bonds (distance) C4'-P energy: -110.789 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: 8.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2602.593309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.593309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.593309 (E_RNA) where: Base-Base interactions energy: -1815.324 where: short stacking energy: -772.202 Base-Backbone interact. energy: -2.545 local terms energy: -784.724112 where: bonds (distance) C4'-P energy: -137.941 bonds (distance) P-C4' energy: -156.295 flat angles C4'-P-C4' energy: -164.433 flat angles P-C4'-P energy: -104.690 tors. eta vs tors. theta energy: -221.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2502.398439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.398439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.398439 (E_RNA) where: Base-Base interactions energy: -1757.592 where: short stacking energy: -710.079 Base-Backbone interact. energy: 1.120 local terms energy: -745.925979 where: bonds (distance) C4'-P energy: -142.622 bonds (distance) P-C4' energy: -139.717 flat angles C4'-P-C4' energy: -155.389 flat angles P-C4'-P energy: -109.348 tors. eta vs tors. theta energy: -198.850 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: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2391.380411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.380411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.380411 (E_RNA) where: Base-Base interactions energy: -1643.804 where: short stacking energy: -719.377 Base-Backbone interact. energy: -2.994 local terms energy: -744.581698 where: bonds (distance) C4'-P energy: -144.414 bonds (distance) P-C4' energy: -137.517 flat angles C4'-P-C4' energy: -157.624 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -211.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2229.113287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.113287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.113287 (E_RNA) where: Base-Base interactions energy: -1509.218 where: short stacking energy: -632.579 Base-Backbone interact. energy: 0.580 local terms energy: -720.475000 where: bonds (distance) C4'-P energy: -118.906 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -173.880 flat angles P-C4'-P energy: -101.516 tors. eta vs tors. theta energy: -176.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2026.602641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.602641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.602641 (E_RNA) where: Base-Base interactions energy: -1391.293 where: short stacking energy: -609.001 Base-Backbone interact. energy: -3.517 local terms energy: -631.792127 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -120.080 flat angles C4'-P-C4' energy: -141.558 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -157.450 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: 133 Temperature: 1.150000 Total energy: -1695.998954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.998954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.998954 (E_RNA) where: Base-Base interactions energy: -1071.319 where: short stacking energy: -489.386 Base-Backbone interact. energy: -0.687 local terms energy: -623.992994 where: bonds (distance) C4'-P energy: -124.942 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -156.484 flat angles P-C4'-P energy: -105.409 tors. eta vs tors. theta energy: -104.822 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: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1517.765035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.765035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.765035 (E_RNA) where: Base-Base interactions energy: -954.066 where: short stacking energy: -433.088 Base-Backbone interact. energy: -2.494 local terms energy: -561.205129 where: bonds (distance) C4'-P energy: -115.304 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -125.469 flat angles P-C4'-P energy: -86.333 tors. eta vs tors. theta energy: -101.544 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1306.110257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.110257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.110257 (E_RNA) where: Base-Base interactions energy: -804.482 where: short stacking energy: -400.674 Base-Backbone interact. energy: -1.629 local terms energy: -499.998646 where: bonds (distance) C4'-P energy: -93.301 bonds (distance) P-C4' energy: -131.961 flat angles C4'-P-C4' energy: -109.321 flat angles P-C4'-P energy: -86.254 tors. eta vs tors. theta energy: -79.162 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1244.627333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.627333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.627333 (E_RNA) where: Base-Base interactions energy: -739.044 where: short stacking energy: -334.748 Base-Backbone interact. energy: 3.158 local terms energy: -508.740880 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -146.752 flat angles C4'-P-C4' energy: -128.836 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -56.118 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: 133 Temperature: 1.350000 Total energy: -729.013643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.013643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.013643 (E_RNA) where: Base-Base interactions energy: -335.984 where: short stacking energy: -199.280 Base-Backbone interact. energy: -0.767 local terms energy: -392.263380 where: bonds (distance) C4'-P energy: -115.073 bonds (distance) P-C4' energy: -124.700 flat angles C4'-P-C4' energy: -101.998 flat angles P-C4'-P energy: -57.914 tors. eta vs tors. theta energy: 7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2584.415569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.415569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.415569 (E_RNA) where: Base-Base interactions energy: -1771.792 where: short stacking energy: -739.167 Base-Backbone interact. energy: -5.951 local terms energy: -806.672433 where: bonds (distance) C4'-P energy: -157.783 bonds (distance) P-C4' energy: -152.981 flat angles C4'-P-C4' energy: -171.778 flat angles P-C4'-P energy: -113.174 tors. eta vs tors. theta energy: -210.956 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: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2501.953555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.953555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.953555 (E_RNA) where: Base-Base interactions energy: -1753.522 where: short stacking energy: -730.460 Base-Backbone interact. energy: -2.372 local terms energy: -746.059339 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -171.983 flat angles P-C4'-P energy: -94.675 tors. eta vs tors. theta energy: -194.849 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: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2373.288459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.288459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.288459 (E_RNA) where: Base-Base interactions energy: -1602.700 where: short stacking energy: -693.696 Base-Backbone interact. energy: -0.859 local terms energy: -769.729529 where: bonds (distance) C4'-P energy: -148.721 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -167.719 flat angles P-C4'-P energy: -101.772 tors. eta vs tors. theta energy: -206.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2169.992991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.992991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.992991 (E_RNA) where: Base-Base interactions energy: -1457.268 where: short stacking energy: -610.631 Base-Backbone interact. energy: -5.227 local terms energy: -707.498617 where: bonds (distance) C4'-P energy: -142.463 bonds (distance) P-C4' energy: -140.846 flat angles C4'-P-C4' energy: -157.018 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -168.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1987.782704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.782704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.782704 (E_RNA) where: Base-Base interactions energy: -1359.411 where: short stacking energy: -573.090 Base-Backbone interact. energy: 4.259 local terms energy: -632.630359 where: bonds (distance) C4'-P energy: -119.728 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -146.585 flat angles P-C4'-P energy: -86.251 tors. eta vs tors. theta energy: -142.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1721.337165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.337165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.337165 (E_RNA) where: Base-Base interactions energy: -1129.077 where: short stacking energy: -526.995 Base-Backbone interact. energy: -1.247 local terms energy: -591.013779 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -128.305 flat angles C4'-P-C4' energy: -125.377 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -131.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1531.313717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.313717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.313717 (E_RNA) where: Base-Base interactions energy: -991.401 where: short stacking energy: -448.983 Base-Backbone interact. energy: 0.304 local terms energy: -540.216483 where: bonds (distance) C4'-P energy: -110.953 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -125.498 flat angles P-C4'-P energy: -79.429 tors. eta vs tors. theta energy: -99.736 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: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1248.130069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.130069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.130069 (E_RNA) where: Base-Base interactions energy: -756.505 where: short stacking energy: -344.974 Base-Backbone interact. energy: -0.466 local terms energy: -491.159291 where: bonds (distance) C4'-P energy: -107.036 bonds (distance) P-C4' energy: -125.026 flat angles C4'-P-C4' energy: -138.276 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -50.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1185.918252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.918252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.918252 (E_RNA) where: Base-Base interactions energy: -716.863 where: short stacking energy: -351.507 Base-Backbone interact. energy: -0.208 local terms energy: -468.846975 where: bonds (distance) C4'-P energy: -114.173 bonds (distance) P-C4' energy: -114.450 flat angles C4'-P-C4' energy: -125.595 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: -53.992 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: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -701.672023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.672023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.672023 (E_RNA) where: Base-Base interactions energy: -311.855 where: short stacking energy: -195.133 Base-Backbone interact. energy: -1.772 local terms energy: -388.045724 where: bonds (distance) C4'-P energy: -102.472 bonds (distance) P-C4' energy: -124.683 flat angles C4'-P-C4' energy: -105.997 flat angles P-C4'-P energy: -66.607 tors. eta vs tors. theta energy: 11.713 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: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2614.565440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.565440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.565440 (E_RNA) where: Base-Base interactions energy: -1814.243 where: short stacking energy: -776.104 Base-Backbone interact. energy: -3.870 local terms energy: -796.452453 where: bonds (distance) C4'-P energy: -143.380 bonds (distance) P-C4' energy: -164.045 flat angles C4'-P-C4' energy: -162.965 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -212.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2483.232160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.232160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.232160 (E_RNA) where: Base-Base interactions energy: -1712.024 where: short stacking energy: -698.893 Base-Backbone interact. energy: -1.960 local terms energy: -769.248409 where: bonds (distance) C4'-P energy: -138.402 bonds (distance) P-C4' energy: -149.541 flat angles C4'-P-C4' energy: -172.796 flat angles P-C4'-P energy: -112.567 tors. eta vs tors. theta energy: -195.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2379.385853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.385853 (E_RNA) where: Base-Base interactions energy: -1603.931 where: short stacking energy: -701.802 Base-Backbone interact. energy: -2.632 local terms energy: -772.823201 where: bonds (distance) C4'-P energy: -131.164 bonds (distance) P-C4' energy: -150.322 flat angles C4'-P-C4' energy: -158.049 flat angles P-C4'-P energy: -114.949 tors. eta vs tors. theta energy: -218.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2214.897688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.897688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.897688 (E_RNA) where: Base-Base interactions energy: -1553.383 where: short stacking energy: -671.007 Base-Backbone interact. energy: -2.589 local terms energy: -658.925066 where: bonds (distance) C4'-P energy: -111.244 bonds (distance) P-C4' energy: -145.009 flat angles C4'-P-C4' energy: -126.185 flat angles P-C4'-P energy: -99.217 tors. eta vs tors. theta energy: -177.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2017.287639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.287639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.287639 (E_RNA) where: Base-Base interactions energy: -1388.007 where: short stacking energy: -614.220 Base-Backbone interact. energy: 0.735 local terms energy: -630.015562 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -159.315 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -155.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1766.653288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.653288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.653288 (E_RNA) where: Base-Base interactions energy: -1159.447 where: short stacking energy: -526.227 Base-Backbone interact. energy: -0.967 local terms energy: -606.239039 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -119.803 flat angles C4'-P-C4' energy: -137.123 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -128.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1454.481862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.481862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.481862 (E_RNA) where: Base-Base interactions energy: -934.285 where: short stacking energy: -440.625 Base-Backbone interact. energy: -1.924 local terms energy: -518.272634 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -111.773 flat angles C4'-P-C4' energy: -132.625 flat angles P-C4'-P energy: -84.915 tors. eta vs tors. theta energy: -80.674 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: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1300.236403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.236403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.236403 (E_RNA) where: Base-Base interactions energy: -784.356 where: short stacking energy: -372.512 Base-Backbone interact. energy: 2.489 local terms energy: -518.370266 where: bonds (distance) C4'-P energy: -120.631 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -73.496 tors. eta vs tors. theta energy: -66.884 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: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1135.003836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.003836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.003836 (E_RNA) where: Base-Base interactions energy: -684.787 where: short stacking energy: -309.950 Base-Backbone interact. energy: 2.687 local terms energy: -452.903704 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -111.795 flat angles C4'-P-C4' energy: -103.919 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -44.602 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: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -727.261613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.261613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.261613 (E_RNA) where: Base-Base interactions energy: -361.808 where: short stacking energy: -200.218 Base-Backbone interact. energy: 2.030 local terms energy: -367.483909 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -127.162 flat angles C4'-P-C4' energy: -88.609 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: 5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2636.952399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.952399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.952399 (E_RNA) where: Base-Base interactions energy: -1839.911 where: short stacking energy: -779.233 Base-Backbone interact. energy: -3.990 local terms energy: -793.051853 where: bonds (distance) C4'-P energy: -143.983 bonds (distance) P-C4' energy: -153.029 flat angles C4'-P-C4' energy: -158.488 flat angles P-C4'-P energy: -114.396 tors. eta vs tors. theta energy: -223.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2519.777079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.777079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.777079 (E_RNA) where: Base-Base interactions energy: -1772.294 where: short stacking energy: -731.646 Base-Backbone interact. energy: -2.353 local terms energy: -745.130580 where: bonds (distance) C4'-P energy: -146.136 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -166.472 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -205.791 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2396.233613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.233613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.233613 (E_RNA) where: Base-Base interactions energy: -1628.521 where: short stacking energy: -733.446 Base-Backbone interact. energy: -0.777 local terms energy: -766.936237 where: bonds (distance) C4'-P energy: -133.043 bonds (distance) P-C4' energy: -132.237 flat angles C4'-P-C4' energy: -173.226 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -225.715 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: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2204.402382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.402382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.402382 (E_RNA) where: Base-Base interactions energy: -1547.424 where: short stacking energy: -642.317 Base-Backbone interact. energy: -1.252 local terms energy: -655.726240 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -143.284 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -168.606 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: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2050.812015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.812015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.812015 (E_RNA) where: Base-Base interactions energy: -1370.991 where: short stacking energy: -591.905 Base-Backbone interact. energy: -0.806 local terms energy: -679.014578 where: bonds (distance) C4'-P energy: -128.526 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -153.133 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -162.847 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: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1769.432456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.432456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.432456 (E_RNA) where: Base-Base interactions energy: -1139.567 where: short stacking energy: -550.745 Base-Backbone interact. energy: 0.099 local terms energy: -629.963694 where: bonds (distance) C4'-P energy: -125.351 bonds (distance) P-C4' energy: -134.070 flat angles C4'-P-C4' energy: -142.089 flat angles P-C4'-P energy: -87.875 tors. eta vs tors. theta energy: -140.579 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: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1506.217487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.217487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.217487 (E_RNA) where: Base-Base interactions energy: -920.458 where: short stacking energy: -444.361 Base-Backbone interact. energy: -0.792 local terms energy: -584.968068 where: bonds (distance) C4'-P energy: -133.120 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -147.743 flat angles P-C4'-P energy: -87.175 tors. eta vs tors. theta energy: -85.565 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: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1314.167396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.167396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.167396 (E_RNA) where: Base-Base interactions energy: -799.347 where: short stacking energy: -389.068 Base-Backbone interact. energy: -1.457 local terms energy: -513.363752 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -135.648 flat angles C4'-P-C4' energy: -125.581 flat angles P-C4'-P energy: -69.245 tors. eta vs tors. theta energy: -65.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1027.032314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.032314 (E_RNA) where: Base-Base interactions energy: -595.324 where: short stacking energy: -287.223 Base-Backbone interact. energy: -0.197 local terms energy: -431.511821 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -121.362 flat angles C4'-P-C4' energy: -85.145 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -42.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -806.884133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.884133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.884133 (E_RNA) where: Base-Base interactions energy: -430.966 where: short stacking energy: -262.335 Base-Backbone interact. energy: 9.304 local terms energy: -385.221552 where: bonds (distance) C4'-P energy: -118.080 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -73.661 flat angles P-C4'-P energy: -62.354 tors. eta vs tors. theta energy: -8.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2613.256503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.256503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.256503 (E_RNA) where: Base-Base interactions energy: -1841.742 where: short stacking energy: -786.672 Base-Backbone interact. energy: -3.145 local terms energy: -768.369840 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -138.265 flat angles C4'-P-C4' energy: -163.178 flat angles P-C4'-P energy: -104.116 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: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2490.975430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.975430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.975430 (E_RNA) where: Base-Base interactions energy: -1740.239 where: short stacking energy: -713.525 Base-Backbone interact. energy: 1.028 local terms energy: -751.765016 where: bonds (distance) C4'-P energy: -142.393 bonds (distance) P-C4' energy: -153.254 flat angles C4'-P-C4' energy: -156.839 flat angles P-C4'-P energy: -98.270 tors. eta vs tors. theta energy: -201.009 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: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2372.977408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.977408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.977408 (E_RNA) where: Base-Base interactions energy: -1625.071 where: short stacking energy: -722.946 Base-Backbone interact. energy: 4.557 local terms energy: -752.463441 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -159.688 flat angles P-C4'-P energy: -104.339 tors. eta vs tors. theta energy: -205.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2219.581957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.581957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.581957 (E_RNA) where: Base-Base interactions energy: -1526.811 where: short stacking energy: -655.868 Base-Backbone interact. energy: -0.114 local terms energy: -692.657209 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -140.443 flat angles C4'-P-C4' energy: -149.175 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2065.478632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.478632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.478632 (E_RNA) where: Base-Base interactions energy: -1359.255 where: short stacking energy: -587.684 Base-Backbone interact. energy: 0.156 local terms energy: -706.380171 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -128.687 flat angles C4'-P-C4' energy: -162.913 flat angles P-C4'-P energy: -100.661 tors. eta vs tors. theta energy: -167.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1802.762318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.762318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.762318 (E_RNA) where: Base-Base interactions energy: -1169.782 where: short stacking energy: -553.393 Base-Backbone interact. energy: 5.279 local terms energy: -638.259297 where: bonds (distance) C4'-P energy: -121.779 bonds (distance) P-C4' energy: -122.665 flat angles C4'-P-C4' energy: -151.620 flat angles P-C4'-P energy: -106.462 tors. eta vs tors. theta energy: -135.734 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: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1446.846052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.846052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.846052 (E_RNA) where: Base-Base interactions energy: -903.961 where: short stacking energy: -444.072 Base-Backbone interact. energy: 3.579 local terms energy: -546.464013 where: bonds (distance) C4'-P energy: -117.326 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -121.912 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: -100.004 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: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1246.974997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.974997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.974997 (E_RNA) where: Base-Base interactions energy: -727.683 where: short stacking energy: -361.889 Base-Backbone interact. energy: 0.856 local terms energy: -520.148341 where: bonds (distance) C4'-P energy: -132.673 bonds (distance) P-C4' energy: -142.417 flat angles C4'-P-C4' energy: -119.154 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: -64.685 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: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1073.724201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.724201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.724201 (E_RNA) where: Base-Base interactions energy: -603.765 where: short stacking energy: -296.174 Base-Backbone interact. energy: 3.051 local terms energy: -473.010424 where: bonds (distance) C4'-P energy: -128.340 bonds (distance) P-C4' energy: -113.493 flat angles C4'-P-C4' energy: -106.308 flat angles P-C4'-P energy: -84.347 tors. eta vs tors. theta energy: -40.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -830.181457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.181457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.181457 (E_RNA) where: Base-Base interactions energy: -411.876 where: short stacking energy: -237.818 Base-Backbone interact. energy: 1.824 local terms energy: -420.129455 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -129.823 flat angles C4'-P-C4' energy: -124.350 flat angles P-C4'-P energy: -40.655 tors. eta vs tors. theta energy: -12.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2585.900777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.900777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.900777 (E_RNA) where: Base-Base interactions energy: -1808.223 where: short stacking energy: -762.178 Base-Backbone interact. energy: 0.453 local terms energy: -778.130502 where: bonds (distance) C4'-P energy: -129.888 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -169.904 flat angles P-C4'-P energy: -114.557 tors. eta vs tors. theta energy: -212.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2500.743653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.743653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.743653 (E_RNA) where: Base-Base interactions energy: -1746.678 where: short stacking energy: -741.357 Base-Backbone interact. energy: -1.897 local terms energy: -752.168815 where: bonds (distance) C4'-P energy: -143.058 bonds (distance) P-C4' energy: -140.729 flat angles C4'-P-C4' energy: -164.825 flat angles P-C4'-P energy: -102.377 tors. eta vs tors. theta energy: -201.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2375.035820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.035820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.035820 (E_RNA) where: Base-Base interactions energy: -1625.461 where: short stacking energy: -712.181 Base-Backbone interact. energy: 2.208 local terms energy: -751.782369 where: bonds (distance) C4'-P energy: -127.212 bonds (distance) P-C4' energy: -143.757 flat angles C4'-P-C4' energy: -149.762 flat angles P-C4'-P energy: -116.433 tors. eta vs tors. theta energy: -214.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2176.020227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.020227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.020227 (E_RNA) where: Base-Base interactions energy: -1474.342 where: short stacking energy: -632.398 Base-Backbone interact. energy: -0.798 local terms energy: -700.880593 where: bonds (distance) C4'-P energy: -126.057 bonds (distance) P-C4' energy: -142.078 flat angles C4'-P-C4' energy: -156.235 flat angles P-C4'-P energy: -97.488 tors. eta vs tors. theta energy: -179.023 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: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2107.853574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.853574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.853574 (E_RNA) where: Base-Base interactions energy: -1432.616 where: short stacking energy: -608.942 Base-Backbone interact. energy: -2.816 local terms energy: -672.421413 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -136.878 flat angles C4'-P-C4' energy: -152.459 flat angles P-C4'-P energy: -89.643 tors. eta vs tors. theta energy: -178.336 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: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1825.513783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.513783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.513783 (E_RNA) where: Base-Base interactions energy: -1169.666 where: short stacking energy: -587.893 Base-Backbone interact. energy: 9.452 local terms energy: -665.300522 where: bonds (distance) C4'-P energy: -135.167 bonds (distance) P-C4' energy: -135.568 flat angles C4'-P-C4' energy: -138.859 flat angles P-C4'-P energy: -103.622 tors. eta vs tors. theta energy: -152.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1423.655610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.655610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.655610 (E_RNA) where: Base-Base interactions energy: -885.484 where: short stacking energy: -424.313 Base-Backbone interact. energy: -0.041 local terms energy: -538.131102 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -121.782 flat angles C4'-P-C4' energy: -130.410 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -87.450 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: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1277.745065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.745065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.745065 (E_RNA) where: Base-Base interactions energy: -756.932 where: short stacking energy: -395.752 Base-Backbone interact. energy: -0.633 local terms energy: -520.180047 where: bonds (distance) C4'-P energy: -132.521 bonds (distance) P-C4' energy: -125.929 flat angles C4'-P-C4' energy: -126.150 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -62.898 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: 138 Temperature: 1.300000 Total energy: -959.045083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.045083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.045083 (E_RNA) where: Base-Base interactions energy: -521.277 where: short stacking energy: -248.651 Base-Backbone interact. energy: -3.205 local terms energy: -434.563331 where: bonds (distance) C4'-P energy: -128.044 bonds (distance) P-C4' energy: -128.495 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -58.775 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: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -817.621728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.621728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.621728 (E_RNA) where: Base-Base interactions energy: -415.550 where: short stacking energy: -224.600 Base-Backbone interact. energy: 3.870 local terms energy: -405.942243 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -139.506 flat angles C4'-P-C4' energy: -109.053 flat angles P-C4'-P energy: -39.068 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2604.880346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.880346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.880346 (E_RNA) where: Base-Base interactions energy: -1812.720 where: short stacking energy: -750.455 Base-Backbone interact. energy: -5.842 local terms energy: -786.318323 where: bonds (distance) C4'-P energy: -144.503 bonds (distance) P-C4' energy: -149.086 flat angles C4'-P-C4' energy: -174.697 flat angles P-C4'-P energy: -106.440 tors. eta vs tors. theta energy: -211.593 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: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2537.478853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.478853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.478853 (E_RNA) where: Base-Base interactions energy: -1757.980 where: short stacking energy: -722.056 Base-Backbone interact. energy: -0.378 local terms energy: -779.121158 where: bonds (distance) C4'-P energy: -143.605 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -160.820 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -212.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2359.616216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.616216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.616216 (E_RNA) where: Base-Base interactions energy: -1582.617 where: short stacking energy: -724.342 Base-Backbone interact. energy: -3.734 local terms energy: -773.265081 where: bonds (distance) C4'-P energy: -144.230 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -173.863 flat angles P-C4'-P energy: -110.711 tors. eta vs tors. theta energy: -204.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2194.750238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.750238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.750238 (E_RNA) where: Base-Base interactions energy: -1539.998 where: short stacking energy: -650.864 Base-Backbone interact. energy: -4.104 local terms energy: -650.648570 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -103.828 flat angles C4'-P-C4' energy: -149.589 flat angles P-C4'-P energy: -99.872 tors. eta vs tors. theta energy: -169.095 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: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2122.526164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.526164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.526164 (E_RNA) where: Base-Base interactions energy: -1457.181 where: short stacking energy: -623.789 Base-Backbone interact. energy: 0.945 local terms energy: -666.290091 where: bonds (distance) C4'-P energy: -129.333 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -149.259 flat angles P-C4'-P energy: -91.013 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: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1835.178055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.178055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.178055 (E_RNA) where: Base-Base interactions energy: -1188.954 where: short stacking energy: -562.320 Base-Backbone interact. energy: -0.775 local terms energy: -645.448320 where: bonds (distance) C4'-P energy: -120.075 bonds (distance) P-C4' energy: -136.679 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -91.932 tors. eta vs tors. theta energy: -151.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1440.755869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.755869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.755869 (E_RNA) where: Base-Base interactions energy: -873.101 where: short stacking energy: -430.857 Base-Backbone interact. energy: 6.634 local terms energy: -574.288688 where: bonds (distance) C4'-P energy: -139.931 bonds (distance) P-C4' energy: -141.566 flat angles C4'-P-C4' energy: -142.178 flat angles P-C4'-P energy: -70.987 tors. eta vs tors. theta energy: -79.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1313.825382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.825382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.825382 (E_RNA) where: Base-Base interactions energy: -819.525 where: short stacking energy: -398.473 Base-Backbone interact. energy: 0.776 local terms energy: -495.076723 where: bonds (distance) C4'-P energy: -110.291 bonds (distance) P-C4' energy: -119.648 flat angles C4'-P-C4' energy: -121.650 flat angles P-C4'-P energy: -75.350 tors. eta vs tors. theta energy: -68.138 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: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -877.939854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.939854 (E_RNA) where: Base-Base interactions energy: -473.990 where: short stacking energy: -306.626 Base-Backbone interact. energy: 3.677 local terms energy: -407.626657 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -124.056 flat angles C4'-P-C4' energy: -112.058 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -22.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -710.494377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.494377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.494377 (E_RNA) where: Base-Base interactions energy: -343.784 where: short stacking energy: -219.707 Base-Backbone interact. energy: 1.651 local terms energy: -368.361543 where: bonds (distance) C4'-P energy: -120.088 bonds (distance) P-C4' energy: -127.603 flat angles C4'-P-C4' energy: -94.036 flat angles P-C4'-P energy: -28.000 tors. eta vs tors. theta energy: 1.366 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2615.078984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.078984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.078984 (E_RNA) where: Base-Base interactions energy: -1801.396 where: short stacking energy: -778.778 Base-Backbone interact. energy: -5.969 local terms energy: -807.714173 where: bonds (distance) C4'-P energy: -152.746 bonds (distance) P-C4' energy: -147.726 flat angles C4'-P-C4' energy: -176.026 flat angles P-C4'-P energy: -111.369 tors. eta vs tors. theta energy: -219.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2588.863342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.863342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.863342 (E_RNA) where: Base-Base interactions energy: -1809.368 where: short stacking energy: -734.481 Base-Backbone interact. energy: 0.372 local terms energy: -779.866762 where: bonds (distance) C4'-P energy: -150.276 bonds (distance) P-C4' energy: -133.931 flat angles C4'-P-C4' energy: -175.557 flat angles P-C4'-P energy: -115.002 tors. eta vs tors. theta energy: -205.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2329.460561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.460561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.460561 (E_RNA) where: Base-Base interactions energy: -1603.808 where: short stacking energy: -702.412 Base-Backbone interact. energy: -1.471 local terms energy: -724.182250 where: bonds (distance) C4'-P energy: -109.931 bonds (distance) P-C4' energy: -138.955 flat angles C4'-P-C4' energy: -164.929 flat angles P-C4'-P energy: -103.543 tors. eta vs tors. theta energy: -206.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2235.604247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.604247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.604247 (E_RNA) where: Base-Base interactions energy: -1513.393 where: short stacking energy: -635.281 Base-Backbone interact. energy: 0.651 local terms energy: -722.862774 where: bonds (distance) C4'-P energy: -146.049 bonds (distance) P-C4' energy: -147.051 flat angles C4'-P-C4' energy: -153.702 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -178.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2063.001425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.001425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.001425 (E_RNA) where: Base-Base interactions energy: -1402.312 where: short stacking energy: -580.185 Base-Backbone interact. energy: -1.614 local terms energy: -659.075286 where: bonds (distance) C4'-P energy: -123.660 bonds (distance) P-C4' energy: -138.097 flat angles C4'-P-C4' energy: -141.624 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -162.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1845.459856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.459856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.459856 (E_RNA) where: Base-Base interactions energy: -1194.191 where: short stacking energy: -591.519 Base-Backbone interact. energy: -1.185 local terms energy: -650.083785 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -116.303 flat angles C4'-P-C4' energy: -157.580 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -147.106 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: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1485.066689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.066689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.066689 (E_RNA) where: Base-Base interactions energy: -906.279 where: short stacking energy: -477.669 Base-Backbone interact. energy: 2.896 local terms energy: -581.683458 where: bonds (distance) C4'-P energy: -128.982 bonds (distance) P-C4' energy: -126.782 flat angles C4'-P-C4' energy: -132.203 flat angles P-C4'-P energy: -90.594 tors. eta vs tors. theta energy: -103.121 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: 140 Temperature: 1.250000 Total energy: -1434.885957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.885957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.885957 (E_RNA) where: Base-Base interactions energy: -896.198 where: short stacking energy: -424.599 Base-Backbone interact. energy: 0.259 local terms energy: -538.946615 where: bonds (distance) C4'-P energy: -135.498 bonds (distance) P-C4' energy: -123.892 flat angles C4'-P-C4' energy: -132.707 flat angles P-C4'-P energy: -68.161 tors. eta vs tors. theta energy: -78.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -832.069889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.069889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.069889 (E_RNA) where: Base-Base interactions energy: -412.070 where: short stacking energy: -269.608 Base-Backbone interact. energy: -0.047 local terms energy: -419.953080 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -124.534 flat angles C4'-P-C4' energy: -94.106 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -13.596 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: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -831.180982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.180982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.180982 (E_RNA) where: Base-Base interactions energy: -432.597 where: short stacking energy: -233.892 Base-Backbone interact. energy: -1.847 local terms energy: -396.736956 where: bonds (distance) C4'-P energy: -131.568 bonds (distance) P-C4' energy: -113.177 flat angles C4'-P-C4' energy: -83.674 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2578.775064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.775064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.775064 (E_RNA) where: Base-Base interactions energy: -1770.899 where: short stacking energy: -771.260 Base-Backbone interact. energy: -1.186 local terms energy: -806.690573 where: bonds (distance) C4'-P energy: -151.198 bonds (distance) P-C4' energy: -155.626 flat angles C4'-P-C4' energy: -168.384 flat angles P-C4'-P energy: -108.703 tors. eta vs tors. theta energy: -222.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2562.304508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.304508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.304508 (E_RNA) where: Base-Base interactions energy: -1830.334 where: short stacking energy: -720.677 Base-Backbone interact. energy: -1.490 local terms energy: -730.480447 where: bonds (distance) C4'-P energy: -130.330 bonds (distance) P-C4' energy: -141.584 flat angles C4'-P-C4' energy: -168.761 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -200.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2353.819252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.819252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.819252 (E_RNA) where: Base-Base interactions energy: -1587.639 where: short stacking energy: -700.108 Base-Backbone interact. energy: -1.117 local terms energy: -765.062939 where: bonds (distance) C4'-P energy: -140.529 bonds (distance) P-C4' energy: -152.225 flat angles C4'-P-C4' energy: -156.252 flat angles P-C4'-P energy: -110.002 tors. eta vs tors. theta energy: -206.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2261.833539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.833539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.833539 (E_RNA) where: Base-Base interactions energy: -1544.159 where: short stacking energy: -644.079 Base-Backbone interact. energy: 1.574 local terms energy: -719.248142 where: bonds (distance) C4'-P energy: -138.033 bonds (distance) P-C4' energy: -149.066 flat angles C4'-P-C4' energy: -162.439 flat angles P-C4'-P energy: -89.319 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: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1994.837264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.837264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.837264 (E_RNA) where: Base-Base interactions energy: -1332.370 where: short stacking energy: -565.866 Base-Backbone interact. energy: 2.315 local terms energy: -664.782153 where: bonds (distance) C4'-P energy: -135.402 bonds (distance) P-C4' energy: -152.444 flat angles C4'-P-C4' energy: -141.327 flat angles P-C4'-P energy: -102.687 tors. eta vs tors. theta energy: -132.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1803.885935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.885935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.885935 (E_RNA) where: Base-Base interactions energy: -1189.831 where: short stacking energy: -534.306 Base-Backbone interact. energy: -4.709 local terms energy: -609.345743 where: bonds (distance) C4'-P energy: -126.963 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -136.606 flat angles P-C4'-P energy: -81.117 tors. eta vs tors. theta energy: -130.010 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: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1471.885715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.885715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.885715 (E_RNA) where: Base-Base interactions energy: -913.920 where: short stacking energy: -448.083 Base-Backbone interact. energy: 1.143 local terms energy: -559.109416 where: bonds (distance) C4'-P energy: -129.079 bonds (distance) P-C4' energy: -127.208 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -79.580 tors. eta vs tors. theta energy: -100.141 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: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1421.513533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.513533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.513533 (E_RNA) where: Base-Base interactions energy: -861.916 where: short stacking energy: -399.425 Base-Backbone interact. energy: -0.893 local terms energy: -558.704871 where: bonds (distance) C4'-P energy: -131.784 bonds (distance) P-C4' energy: -145.705 flat angles C4'-P-C4' energy: -128.839 flat angles P-C4'-P energy: -77.251 tors. eta vs tors. theta energy: -75.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -812.796893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.796893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.796893 (E_RNA) where: Base-Base interactions energy: -431.931 where: short stacking energy: -237.415 Base-Backbone interact. energy: 3.330 local terms energy: -384.196206 where: bonds (distance) C4'-P energy: -103.870 bonds (distance) P-C4' energy: -106.039 flat angles C4'-P-C4' energy: -123.675 flat angles P-C4'-P energy: -71.493 tors. eta vs tors. theta energy: 20.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -688.527490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.527490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.527490 (E_RNA) where: Base-Base interactions energy: -327.682 where: short stacking energy: -169.311 Base-Backbone interact. energy: -0.731 local terms energy: -360.113996 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -107.596 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: 25.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2581.947414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.947414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.947414 (E_RNA) where: Base-Base interactions energy: -1799.204 where: short stacking energy: -754.720 Base-Backbone interact. energy: -2.198 local terms energy: -780.545391 where: bonds (distance) C4'-P energy: -156.441 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -158.829 flat angles P-C4'-P energy: -115.654 tors. eta vs tors. theta energy: -213.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2529.963298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.963298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.963298 (E_RNA) where: Base-Base interactions energy: -1756.156 where: short stacking energy: -716.246 Base-Backbone interact. energy: 2.735 local terms energy: -776.542588 where: bonds (distance) C4'-P energy: -141.323 bonds (distance) P-C4' energy: -155.325 flat angles C4'-P-C4' energy: -172.324 flat angles P-C4'-P energy: -117.513 tors. eta vs tors. theta energy: -190.057 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: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2286.450658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.450658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.450658 (E_RNA) where: Base-Base interactions energy: -1562.328 where: short stacking energy: -681.198 Base-Backbone interact. energy: -1.005 local terms energy: -723.117916 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -150.589 flat angles C4'-P-C4' energy: -159.215 flat angles P-C4'-P energy: -96.133 tors. eta vs tors. theta energy: -194.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2258.790456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.790456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.790456 (E_RNA) where: Base-Base interactions energy: -1536.849 where: short stacking energy: -671.623 Base-Backbone interact. energy: -2.069 local terms energy: -719.872350 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -148.708 flat angles C4'-P-C4' energy: -161.881 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -198.393 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: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2018.370808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.370808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.370808 (E_RNA) where: Base-Base interactions energy: -1337.526 where: short stacking energy: -577.481 Base-Backbone interact. energy: -3.159 local terms energy: -677.685701 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -144.854 flat angles C4'-P-C4' energy: -146.233 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -157.147 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: 142 Temperature: 1.150000 Total energy: -1781.837842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.837842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.837842 (E_RNA) where: Base-Base interactions energy: -1159.979 where: short stacking energy: -530.141 Base-Backbone interact. energy: 0.060 local terms energy: -621.918470 where: bonds (distance) C4'-P energy: -117.033 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -137.498 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -133.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1531.409840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.409840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.409840 (E_RNA) where: Base-Base interactions energy: -971.517 where: short stacking energy: -464.144 Base-Backbone interact. energy: -1.969 local terms energy: -557.923879 where: bonds (distance) C4'-P energy: -127.857 bonds (distance) P-C4' energy: -133.340 flat angles C4'-P-C4' energy: -125.808 flat angles P-C4'-P energy: -86.237 tors. eta vs tors. theta energy: -84.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1410.437068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.437068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.437068 (E_RNA) where: Base-Base interactions energy: -864.569 where: short stacking energy: -395.465 Base-Backbone interact. energy: -0.081 local terms energy: -545.786905 where: bonds (distance) C4'-P energy: -131.540 bonds (distance) P-C4' energy: -134.730 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -94.821 tors. eta vs tors. theta energy: -70.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -945.848596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.848596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.848596 (E_RNA) where: Base-Base interactions energy: -483.599 where: short stacking energy: -267.657 Base-Backbone interact. energy: 0.984 local terms energy: -463.233654 where: bonds (distance) C4'-P energy: -135.732 bonds (distance) P-C4' energy: -127.896 flat angles C4'-P-C4' energy: -116.065 flat angles P-C4'-P energy: -64.398 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -731.469021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.469021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.469021 (E_RNA) where: Base-Base interactions energy: -340.158 where: short stacking energy: -202.277 Base-Backbone interact. energy: -1.229 local terms energy: -390.082544 where: bonds (distance) C4'-P energy: -132.130 bonds (distance) P-C4' energy: -105.592 flat angles C4'-P-C4' energy: -114.304 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: 20.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2570.370273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.370273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.370273 (E_RNA) where: Base-Base interactions energy: -1770.200 where: short stacking energy: -755.464 Base-Backbone interact. energy: -0.871 local terms energy: -799.298823 where: bonds (distance) C4'-P energy: -139.614 bonds (distance) P-C4' energy: -153.766 flat angles C4'-P-C4' energy: -171.554 flat angles P-C4'-P energy: -118.961 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: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2547.574536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.574536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.574536 (E_RNA) where: Base-Base interactions energy: -1826.524 where: short stacking energy: -738.060 Base-Backbone interact. energy: 1.806 local terms energy: -722.855763 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -127.314 flat angles C4'-P-C4' energy: -157.018 flat angles P-C4'-P energy: -108.523 tors. eta vs tors. theta energy: -193.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2271.321867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.321867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.321867 (E_RNA) where: Base-Base interactions energy: -1553.536 where: short stacking energy: -672.948 Base-Backbone interact. energy: 3.053 local terms energy: -720.839179 where: bonds (distance) C4'-P energy: -149.563 bonds (distance) P-C4' energy: -133.640 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -100.450 tors. eta vs tors. theta energy: -180.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2291.412581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.412581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.412581 (E_RNA) where: Base-Base interactions energy: -1546.931 where: short stacking energy: -669.046 Base-Backbone interact. energy: -2.924 local terms energy: -741.557311 where: bonds (distance) C4'-P energy: -129.738 bonds (distance) P-C4' energy: -152.806 flat angles C4'-P-C4' energy: -163.290 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -202.818 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: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2032.957929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.957929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.957929 (E_RNA) where: Base-Base interactions energy: -1363.973 where: short stacking energy: -597.137 Base-Backbone interact. energy: -3.487 local terms energy: -665.498384 where: bonds (distance) C4'-P energy: -134.073 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -146.640 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -157.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1855.644325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.644325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.644325 (E_RNA) where: Base-Base interactions energy: -1189.314 where: short stacking energy: -549.886 Base-Backbone interact. energy: -3.259 local terms energy: -663.070882 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -122.413 flat angles C4'-P-C4' energy: -146.871 flat angles P-C4'-P energy: -101.330 tors. eta vs tors. theta energy: -154.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1577.591510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.591510 (E_RNA) where: Base-Base interactions energy: -999.165 where: short stacking energy: -457.653 Base-Backbone interact. energy: -1.048 local terms energy: -577.379030 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -136.055 flat angles C4'-P-C4' energy: -131.541 flat angles P-C4'-P energy: -87.471 tors. eta vs tors. theta energy: -103.869 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: 143 Temperature: 1.250000 Total energy: -1388.369631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.369631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.369631 (E_RNA) where: Base-Base interactions energy: -828.678 where: short stacking energy: -378.041 Base-Backbone interact. energy: -3.181 local terms energy: -556.509720 where: bonds (distance) C4'-P energy: -132.140 bonds (distance) P-C4' energy: -133.258 flat angles C4'-P-C4' energy: -132.327 flat angles P-C4'-P energy: -88.315 tors. eta vs tors. theta energy: -70.470 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: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -933.752308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.752308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.752308 (E_RNA) where: Base-Base interactions energy: -493.856 where: short stacking energy: -279.847 Base-Backbone interact. energy: -2.824 local terms energy: -437.072394 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -99.821 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -20.446 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: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -755.768711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.768711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.768711 (E_RNA) where: Base-Base interactions energy: -355.004 where: short stacking energy: -199.638 Base-Backbone interact. energy: -2.262 local terms energy: -398.502085 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -142.560 flat angles C4'-P-C4' energy: -94.703 flat angles P-C4'-P energy: -60.566 tors. eta vs tors. theta energy: -9.472 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: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2569.790894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.790894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.790894 (E_RNA) where: Base-Base interactions energy: -1800.776 where: short stacking energy: -698.983 Base-Backbone interact. energy: -3.204 local terms energy: -765.810729 where: bonds (distance) C4'-P energy: -133.956 bonds (distance) P-C4' energy: -154.928 flat angles C4'-P-C4' energy: -172.553 flat angles P-C4'-P energy: -110.549 tors. eta vs tors. theta energy: -193.824 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: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2549.961197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.961197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.961197 (E_RNA) where: Base-Base interactions energy: -1770.222 where: short stacking energy: -738.384 Base-Backbone interact. energy: -2.275 local terms energy: -777.463948 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -141.098 flat angles C4'-P-C4' energy: -171.742 flat angles P-C4'-P energy: -100.739 tors. eta vs tors. theta energy: -217.129 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: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2369.242451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.242451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.242451 (E_RNA) where: Base-Base interactions energy: -1616.239 where: short stacking energy: -698.777 Base-Backbone interact. energy: -3.527 local terms energy: -749.475943 where: bonds (distance) C4'-P energy: -149.236 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -152.561 flat angles P-C4'-P energy: -102.381 tors. eta vs tors. theta energy: -208.967 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: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2215.843005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.843005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.843005 (E_RNA) where: Base-Base interactions energy: -1507.664 where: short stacking energy: -636.449 Base-Backbone interact. energy: 1.278 local terms energy: -709.457179 where: bonds (distance) C4'-P energy: -135.336 bonds (distance) P-C4' energy: -144.951 flat angles C4'-P-C4' energy: -159.875 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: -187.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2055.545380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.545380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.545380 (E_RNA) where: Base-Base interactions energy: -1405.058 where: short stacking energy: -618.141 Base-Backbone interact. energy: -0.582 local terms energy: -649.905019 where: bonds (distance) C4'-P energy: -120.116 bonds (distance) P-C4' energy: -127.104 flat angles C4'-P-C4' energy: -145.095 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -164.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1774.522892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.522892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.522892 (E_RNA) where: Base-Base interactions energy: -1146.572 where: short stacking energy: -529.333 Base-Backbone interact. energy: -0.495 local terms energy: -627.455575 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -145.156 flat angles P-C4'-P energy: -94.493 tors. eta vs tors. theta energy: -127.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1537.253250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.253250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.253250 (E_RNA) where: Base-Base interactions energy: -941.210 where: short stacking energy: -467.711 Base-Backbone interact. energy: -1.198 local terms energy: -594.845434 where: bonds (distance) C4'-P energy: -126.242 bonds (distance) P-C4' energy: -147.655 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -80.334 tors. eta vs tors. theta energy: -101.102 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: 144 Temperature: 1.250000 Total energy: -1317.816698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.816698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.816698 (E_RNA) where: Base-Base interactions energy: -837.860 where: short stacking energy: -383.696 Base-Backbone interact. energy: -1.399 local terms energy: -478.557567 where: bonds (distance) C4'-P energy: -121.051 bonds (distance) P-C4' energy: -115.672 flat angles C4'-P-C4' energy: -107.592 flat angles P-C4'-P energy: -69.801 tors. eta vs tors. theta energy: -64.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -980.114425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.114425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.114425 (E_RNA) where: Base-Base interactions energy: -517.792 where: short stacking energy: -274.247 Base-Backbone interact. energy: 2.812 local terms energy: -465.134449 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -142.906 flat angles C4'-P-C4' energy: -105.815 flat angles P-C4'-P energy: -63.677 tors. eta vs tors. theta energy: -25.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -762.448255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.448255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.448255 (E_RNA) where: Base-Base interactions energy: -392.562 where: short stacking energy: -208.099 Base-Backbone interact. energy: -2.101 local terms energy: -367.784681 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -99.237 flat angles C4'-P-C4' energy: -104.137 flat angles P-C4'-P energy: -66.573 tors. eta vs tors. theta energy: 13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2594.968363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.968363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.968363 (E_RNA) where: Base-Base interactions energy: -1809.601 where: short stacking energy: -726.166 Base-Backbone interact. energy: -1.089 local terms energy: -784.278600 where: bonds (distance) C4'-P energy: -142.077 bonds (distance) P-C4' energy: -156.111 flat angles C4'-P-C4' energy: -167.837 flat angles P-C4'-P energy: -110.262 tors. eta vs tors. theta energy: -207.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2547.766876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.766876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.766876 (E_RNA) where: Base-Base interactions energy: -1773.652 where: short stacking energy: -729.683 Base-Backbone interact. energy: -2.461 local terms energy: -771.654025 where: bonds (distance) C4'-P energy: -142.037 bonds (distance) P-C4' energy: -140.791 flat angles C4'-P-C4' energy: -159.576 flat angles P-C4'-P energy: -106.677 tors. eta vs tors. theta energy: -222.573 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: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2340.953029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.953029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.953029 (E_RNA) where: Base-Base interactions energy: -1594.550 where: short stacking energy: -697.320 Base-Backbone interact. energy: -2.210 local terms energy: -744.192457 where: bonds (distance) C4'-P energy: -135.144 bonds (distance) P-C4' energy: -147.572 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -109.043 tors. eta vs tors. theta energy: -197.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2199.901424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.901424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.901424 (E_RNA) where: Base-Base interactions energy: -1513.719 where: short stacking energy: -637.360 Base-Backbone interact. energy: -1.801 local terms energy: -684.381866 where: bonds (distance) C4'-P energy: -139.970 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -150.221 flat angles P-C4'-P energy: -98.017 tors. eta vs tors. theta energy: -168.500 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: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2024.445022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.445022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.445022 (E_RNA) where: Base-Base interactions energy: -1361.403 where: short stacking energy: -568.719 Base-Backbone interact. energy: -2.271 local terms energy: -660.771557 where: bonds (distance) C4'-P energy: -138.002 bonds (distance) P-C4' energy: -121.443 flat angles C4'-P-C4' energy: -143.860 flat angles P-C4'-P energy: -103.769 tors. eta vs tors. theta energy: -153.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1842.450106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.450106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.450106 (E_RNA) where: Base-Base interactions energy: -1240.582 where: short stacking energy: -588.614 Base-Backbone interact. energy: -3.017 local terms energy: -598.850511 where: bonds (distance) C4'-P energy: -115.123 bonds (distance) P-C4' energy: -109.770 flat angles C4'-P-C4' energy: -139.226 flat angles P-C4'-P energy: -95.131 tors. eta vs tors. theta energy: -139.601 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: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1524.983316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.983316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.983316 (E_RNA) where: Base-Base interactions energy: -949.777 where: short stacking energy: -484.910 Base-Backbone interact. energy: 1.923 local terms energy: -577.129361 where: bonds (distance) C4'-P energy: -107.207 bonds (distance) P-C4' energy: -136.445 flat angles C4'-P-C4' energy: -133.259 flat angles P-C4'-P energy: -81.356 tors. eta vs tors. theta energy: -118.862 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1431.369315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.369315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.369315 (E_RNA) where: Base-Base interactions energy: -926.894 where: short stacking energy: -424.296 Base-Backbone interact. energy: 2.070 local terms energy: -506.544641 where: bonds (distance) C4'-P energy: -122.127 bonds (distance) P-C4' energy: -120.761 flat angles C4'-P-C4' energy: -103.896 flat angles P-C4'-P energy: -94.978 tors. eta vs tors. theta energy: -64.783 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: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1006.800101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.800101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.800101 (E_RNA) where: Base-Base interactions energy: -533.543 where: short stacking energy: -301.947 Base-Backbone interact. energy: 0.110 local terms energy: -473.367073 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -134.310 flat angles C4'-P-C4' energy: -121.782 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: -25.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -747.803940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.803940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.803940 (E_RNA) where: Base-Base interactions energy: -365.401 where: short stacking energy: -214.575 Base-Backbone interact. energy: 0.024 local terms energy: -382.427636 where: bonds (distance) C4'-P energy: -118.743 bonds (distance) P-C4' energy: -123.299 flat angles C4'-P-C4' energy: -91.176 flat angles P-C4'-P energy: -57.193 tors. eta vs tors. theta energy: 7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2606.777486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.777486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.777486 (E_RNA) where: Base-Base interactions energy: -1802.293 where: short stacking energy: -715.535 Base-Backbone interact. energy: -2.142 local terms energy: -802.343468 where: bonds (distance) C4'-P energy: -169.536 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -175.920 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -202.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2543.519007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.519007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.519007 (E_RNA) where: Base-Base interactions energy: -1748.717 where: short stacking energy: -738.416 Base-Backbone interact. energy: -1.990 local terms energy: -792.812822 where: bonds (distance) C4'-P energy: -145.330 bonds (distance) P-C4' energy: -141.236 flat angles C4'-P-C4' energy: -178.735 flat angles P-C4'-P energy: -110.146 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: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2352.949429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.949429 (E_RNA) where: Base-Base interactions energy: -1598.461 where: short stacking energy: -697.632 Base-Backbone interact. energy: -2.952 local terms energy: -751.536519 where: bonds (distance) C4'-P energy: -148.923 bonds (distance) P-C4' energy: -139.926 flat angles C4'-P-C4' energy: -163.073 flat angles P-C4'-P energy: -100.789 tors. eta vs tors. theta energy: -198.826 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: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2250.800443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.800443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.800443 (E_RNA) where: Base-Base interactions energy: -1530.764 where: short stacking energy: -628.612 Base-Backbone interact. energy: -4.247 local terms energy: -715.789482 where: bonds (distance) C4'-P energy: -147.519 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -172.837 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -174.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2004.520553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.520553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.520553 (E_RNA) where: Base-Base interactions energy: -1352.257 where: short stacking energy: -585.969 Base-Backbone interact. energy: 1.141 local terms energy: -653.403864 where: bonds (distance) C4'-P energy: -131.630 bonds (distance) P-C4' energy: -146.290 flat angles C4'-P-C4' energy: -133.751 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -166.088 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: 146 Temperature: 1.150000 Total energy: -1805.362289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.362289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.362289 (E_RNA) where: Base-Base interactions energy: -1183.301 where: short stacking energy: -531.083 Base-Backbone interact. energy: -2.502 local terms energy: -619.559354 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -128.422 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -99.964 tors. eta vs tors. theta energy: -136.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1518.467629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.467629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.467629 (E_RNA) where: Base-Base interactions energy: -939.164 where: short stacking energy: -426.800 Base-Backbone interact. energy: 0.988 local terms energy: -580.292115 where: bonds (distance) C4'-P energy: -102.087 bonds (distance) P-C4' energy: -137.845 flat angles C4'-P-C4' energy: -139.039 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -103.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1517.111263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.111263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.111263 (E_RNA) where: Base-Base interactions energy: -987.665 where: short stacking energy: -462.350 Base-Backbone interact. energy: 1.964 local terms energy: -531.409638 where: bonds (distance) C4'-P energy: -104.185 bonds (distance) P-C4' energy: -134.523 flat angles C4'-P-C4' energy: -117.263 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -108.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -945.880689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.880689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.880689 (E_RNA) where: Base-Base interactions energy: -520.529 where: short stacking energy: -273.133 Base-Backbone interact. energy: 0.920 local terms energy: -426.271597 where: bonds (distance) C4'-P energy: -121.629 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -94.496 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -739.141889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.141889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.141889 (E_RNA) where: Base-Base interactions energy: -328.849 where: short stacking energy: -231.051 Base-Backbone interact. energy: 0.320 local terms energy: -410.612349 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -43.233 tors. eta vs tors. theta energy: 2.275 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: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2631.757742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.757742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.757742 (E_RNA) where: Base-Base interactions energy: -1855.174 where: short stacking energy: -763.125 Base-Backbone interact. energy: -2.390 local terms energy: -774.193873 where: bonds (distance) C4'-P energy: -143.943 bonds (distance) P-C4' energy: -158.138 flat angles C4'-P-C4' energy: -171.066 flat angles P-C4'-P energy: -97.851 tors. eta vs tors. theta energy: -203.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2510.946338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.946338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.946338 (E_RNA) where: Base-Base interactions energy: -1728.743 where: short stacking energy: -690.874 Base-Backbone interact. energy: -7.417 local terms energy: -774.786741 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -139.091 flat angles C4'-P-C4' energy: -165.037 flat angles P-C4'-P energy: -111.923 tors. eta vs tors. theta energy: -212.032 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: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2358.885982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.885982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.885982 (E_RNA) where: Base-Base interactions energy: -1621.383 where: short stacking energy: -730.468 Base-Backbone interact. energy: -0.256 local terms energy: -737.247407 where: bonds (distance) C4'-P energy: -139.096 bonds (distance) P-C4' energy: -150.219 flat angles C4'-P-C4' energy: -159.598 flat angles P-C4'-P energy: -85.167 tors. eta vs tors. theta energy: -203.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2182.879360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.879360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.879360 (E_RNA) where: Base-Base interactions energy: -1481.111 where: short stacking energy: -650.247 Base-Backbone interact. energy: -1.384 local terms energy: -700.383970 where: bonds (distance) C4'-P energy: -134.614 bonds (distance) P-C4' energy: -129.496 flat angles C4'-P-C4' energy: -150.943 flat angles P-C4'-P energy: -114.705 tors. eta vs tors. theta energy: -170.626 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: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2002.602682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.602682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.602682 (E_RNA) where: Base-Base interactions energy: -1333.546 where: short stacking energy: -575.440 Base-Backbone interact. energy: -3.291 local terms energy: -665.766284 where: bonds (distance) C4'-P energy: -129.359 bonds (distance) P-C4' energy: -130.865 flat angles C4'-P-C4' energy: -149.777 flat angles P-C4'-P energy: -95.951 tors. eta vs tors. theta energy: -159.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1803.585817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.585817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.585817 (E_RNA) where: Base-Base interactions energy: -1194.204 where: short stacking energy: -524.588 Base-Backbone interact. energy: 8.039 local terms energy: -617.420352 where: bonds (distance) C4'-P energy: -119.534 bonds (distance) P-C4' energy: -130.917 flat angles C4'-P-C4' energy: -147.559 flat angles P-C4'-P energy: -77.933 tors. eta vs tors. theta energy: -141.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1529.374166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.374166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.374166 (E_RNA) where: Base-Base interactions energy: -967.637 where: short stacking energy: -459.031 Base-Backbone interact. energy: 1.049 local terms energy: -562.786071 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -128.694 flat angles C4'-P-C4' energy: -135.750 flat angles P-C4'-P energy: -69.083 tors. eta vs tors. theta energy: -103.392 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: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1520.435716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.435716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.435716 (E_RNA) where: Base-Base interactions energy: -1006.526 where: short stacking energy: -444.192 Base-Backbone interact. energy: -2.342 local terms energy: -511.568262 where: bonds (distance) C4'-P energy: -93.902 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -128.670 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -103.013 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: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -957.316883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.316883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.316883 (E_RNA) where: Base-Base interactions energy: -521.961 where: short stacking energy: -272.627 Base-Backbone interact. energy: -0.925 local terms energy: -434.431204 where: bonds (distance) C4'-P energy: -139.476 bonds (distance) P-C4' energy: -112.692 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -11.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -680.850320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.850320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.850320 (E_RNA) where: Base-Base interactions energy: -275.802 where: short stacking energy: -197.989 Base-Backbone interact. energy: -1.903 local terms energy: -403.145376 where: bonds (distance) C4'-P energy: -110.826 bonds (distance) P-C4' energy: -129.652 flat angles C4'-P-C4' energy: -106.024 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: 7.675 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2611.501243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.501243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.501243 (E_RNA) where: Base-Base interactions energy: -1812.148 where: short stacking energy: -751.221 Base-Backbone interact. energy: -1.741 local terms energy: -797.611396 where: bonds (distance) C4'-P energy: -148.083 bonds (distance) P-C4' energy: -151.222 flat angles C4'-P-C4' energy: -170.238 flat angles P-C4'-P energy: -115.823 tors. eta vs tors. theta energy: -212.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2543.018548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.018548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.018548 (E_RNA) where: Base-Base interactions energy: -1750.455 where: short stacking energy: -743.734 Base-Backbone interact. energy: -0.726 local terms energy: -791.837615 where: bonds (distance) C4'-P energy: -150.139 bonds (distance) P-C4' energy: -137.675 flat angles C4'-P-C4' energy: -175.030 flat angles P-C4'-P energy: -115.274 tors. eta vs tors. theta energy: -213.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2301.966455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.966455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.966455 (E_RNA) where: Base-Base interactions energy: -1589.585 where: short stacking energy: -707.997 Base-Backbone interact. energy: -1.801 local terms energy: -710.579897 where: bonds (distance) C4'-P energy: -130.323 bonds (distance) P-C4' energy: -122.171 flat angles C4'-P-C4' energy: -151.956 flat angles P-C4'-P energy: -104.722 tors. eta vs tors. theta energy: -201.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2218.105378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.105378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.105378 (E_RNA) where: Base-Base interactions energy: -1500.253 where: short stacking energy: -667.522 Base-Backbone interact. energy: 2.296 local terms energy: -720.148409 where: bonds (distance) C4'-P energy: -142.229 bonds (distance) P-C4' energy: -132.730 flat angles C4'-P-C4' energy: -156.909 flat angles P-C4'-P energy: -96.072 tors. eta vs tors. theta energy: -192.209 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: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2079.133914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.133914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.133914 (E_RNA) where: Base-Base interactions energy: -1397.663 where: short stacking energy: -606.139 Base-Backbone interact. energy: -6.166 local terms energy: -675.305791 where: bonds (distance) C4'-P energy: -127.850 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -156.874 flat angles P-C4'-P energy: -100.172 tors. eta vs tors. theta energy: -153.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1815.725690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.725690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.725690 (E_RNA) where: Base-Base interactions energy: -1199.955 where: short stacking energy: -523.181 Base-Backbone interact. energy: -0.784 local terms energy: -614.985848 where: bonds (distance) C4'-P energy: -111.815 bonds (distance) P-C4' energy: -134.287 flat angles C4'-P-C4' energy: -142.907 flat angles P-C4'-P energy: -97.984 tors. eta vs tors. theta energy: -127.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1548.149434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.149434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.149434 (E_RNA) where: Base-Base interactions energy: -974.890 where: short stacking energy: -473.574 Base-Backbone interact. energy: -1.949 local terms energy: -571.310772 where: bonds (distance) C4'-P energy: -134.900 bonds (distance) P-C4' energy: -132.901 flat angles C4'-P-C4' energy: -120.653 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -102.965 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: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1587.028736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.028736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.028736 (E_RNA) where: Base-Base interactions energy: -1046.747 where: short stacking energy: -447.551 Base-Backbone interact. energy: -0.530 local terms energy: -539.751925 where: bonds (distance) C4'-P energy: -124.350 bonds (distance) P-C4' energy: -124.479 flat angles C4'-P-C4' energy: -121.323 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -87.440 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: 148 Temperature: 1.300000 Total energy: -964.656232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.656232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.656232 (E_RNA) where: Base-Base interactions energy: -503.114 where: short stacking energy: -284.779 Base-Backbone interact. energy: -0.367 local terms energy: -461.175621 where: bonds (distance) C4'-P energy: -139.209 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -108.105 flat angles P-C4'-P energy: -70.310 tors. eta vs tors. theta energy: -11.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -573.568658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.568658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.568658 (E_RNA) where: Base-Base interactions energy: -184.200 where: short stacking energy: -139.768 Base-Backbone interact. energy: 4.715 local terms energy: -394.083799 where: bonds (distance) C4'-P energy: -121.933 bonds (distance) P-C4' energy: -136.275 flat angles C4'-P-C4' energy: -110.359 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: 35.032 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: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2593.917617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.917617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.917617 (E_RNA) where: Base-Base interactions energy: -1832.922 where: short stacking energy: -748.379 Base-Backbone interact. energy: -2.211 local terms energy: -758.784383 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -165.259 flat angles P-C4'-P energy: -107.814 tors. eta vs tors. theta energy: -211.834 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: 149 Temperature: 0.950000 Total energy: -2559.478070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.478070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.478070 (E_RNA) where: Base-Base interactions energy: -1764.741 where: short stacking energy: -769.314 Base-Backbone interact. energy: -2.102 local terms energy: -792.635014 where: bonds (distance) C4'-P energy: -149.476 bonds (distance) P-C4' energy: -132.665 flat angles C4'-P-C4' energy: -172.396 flat angles P-C4'-P energy: -113.548 tors. eta vs tors. theta energy: -224.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2308.992549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.992549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.992549 (E_RNA) where: Base-Base interactions energy: -1560.124 where: short stacking energy: -676.488 Base-Backbone interact. energy: -5.434 local terms energy: -743.434851 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -161.673 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -111.562 tors. eta vs tors. theta energy: -191.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2223.747164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.747164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.747164 (E_RNA) where: Base-Base interactions energy: -1549.399 where: short stacking energy: -635.626 Base-Backbone interact. energy: -3.259 local terms energy: -671.089304 where: bonds (distance) C4'-P energy: -127.932 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -149.233 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -184.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2044.992659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.992659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.992659 (E_RNA) where: Base-Base interactions energy: -1375.361 where: short stacking energy: -603.496 Base-Backbone interact. energy: -1.393 local terms energy: -668.238799 where: bonds (distance) C4'-P energy: -127.759 bonds (distance) P-C4' energy: -134.739 flat angles C4'-P-C4' energy: -147.181 flat angles P-C4'-P energy: -98.223 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1811.452445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.452445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.452445 (E_RNA) where: Base-Base interactions energy: -1185.201 where: short stacking energy: -528.711 Base-Backbone interact. energy: -1.290 local terms energy: -624.960707 where: bonds (distance) C4'-P energy: -109.124 bonds (distance) P-C4' energy: -134.100 flat angles C4'-P-C4' energy: -152.501 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -139.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1452.294349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.294349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.294349 (E_RNA) where: Base-Base interactions energy: -920.786 where: short stacking energy: -421.350 Base-Backbone interact. energy: 0.216 local terms energy: -531.724934 where: bonds (distance) C4'-P energy: -126.716 bonds (distance) P-C4' energy: -127.966 flat angles C4'-P-C4' energy: -132.604 flat angles P-C4'-P energy: -72.287 tors. eta vs tors. theta energy: -72.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1520.329857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.329857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.329857 (E_RNA) where: Base-Base interactions energy: -983.967 where: short stacking energy: -436.840 Base-Backbone interact. energy: 0.181 local terms energy: -536.543242 where: bonds (distance) C4'-P energy: -125.443 bonds (distance) P-C4' energy: -123.699 flat angles C4'-P-C4' energy: -120.761 flat angles P-C4'-P energy: -79.766 tors. eta vs tors. theta energy: -86.875 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: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -913.526667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.526667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.526667 (E_RNA) where: Base-Base interactions energy: -529.112 where: short stacking energy: -285.742 Base-Backbone interact. energy: 6.284 local terms energy: -390.698591 where: bonds (distance) C4'-P energy: -91.300 bonds (distance) P-C4' energy: -121.185 flat angles C4'-P-C4' energy: -109.349 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -14.071 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: 149 Temperature: 1.350000 Total energy: -595.680999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.680999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.680999 (E_RNA) where: Base-Base interactions energy: -254.159 where: short stacking energy: -205.006 Base-Backbone interact. energy: -2.687 local terms energy: -338.834700 where: bonds (distance) C4'-P energy: -94.072 bonds (distance) P-C4' energy: -106.112 flat angles C4'-P-C4' energy: -93.320 flat angles P-C4'-P energy: -59.343 tors. eta vs tors. theta energy: 14.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2615.320774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.320774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.320774 (E_RNA) where: Base-Base interactions energy: -1824.986 where: short stacking energy: -748.244 Base-Backbone interact. energy: -1.450 local terms energy: -788.884690 where: bonds (distance) C4'-P energy: -143.395 bonds (distance) P-C4' energy: -156.040 flat angles C4'-P-C4' energy: -166.526 flat angles P-C4'-P energy: -110.817 tors. eta vs tors. theta energy: -212.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2491.432346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.432346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.432346 (E_RNA) where: Base-Base interactions energy: -1688.359 where: short stacking energy: -747.597 Base-Backbone interact. energy: -2.589 local terms energy: -800.484736 where: bonds (distance) C4'-P energy: -149.376 bonds (distance) P-C4' energy: -153.095 flat angles C4'-P-C4' energy: -167.639 flat angles P-C4'-P energy: -111.558 tors. eta vs tors. theta energy: -218.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2326.484504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.484504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.484504 (E_RNA) where: Base-Base interactions energy: -1582.195 where: short stacking energy: -704.332 Base-Backbone interact. energy: -3.935 local terms energy: -740.354660 where: bonds (distance) C4'-P energy: -130.251 bonds (distance) P-C4' energy: -141.791 flat angles C4'-P-C4' energy: -151.946 flat angles P-C4'-P energy: -116.561 tors. eta vs tors. theta energy: -199.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2245.049355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.049355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.049355 (E_RNA) where: Base-Base interactions energy: -1558.386 where: short stacking energy: -652.072 Base-Backbone interact. energy: -3.781 local terms energy: -682.882681 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -124.308 flat angles C4'-P-C4' energy: -159.097 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -179.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2069.390335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.390335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.390335 (E_RNA) where: Base-Base interactions energy: -1393.652 where: short stacking energy: -599.779 Base-Backbone interact. energy: -1.213 local terms energy: -674.525198 where: bonds (distance) C4'-P energy: -153.721 bonds (distance) P-C4' energy: -128.231 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -86.651 tors. eta vs tors. theta energy: -164.805 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: 150 Temperature: 1.150000 Total energy: -1816.669930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.669930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.669930 (E_RNA) where: Base-Base interactions energy: -1193.073 where: short stacking energy: -528.716 Base-Backbone interact. energy: -2.958 local terms energy: -620.639371 where: bonds (distance) C4'-P energy: -126.331 bonds (distance) P-C4' energy: -138.802 flat angles C4'-P-C4' energy: -130.579 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -129.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1636.401091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.401091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.401091 (E_RNA) where: Base-Base interactions energy: -1081.357 where: short stacking energy: -457.186 Base-Backbone interact. energy: -3.266 local terms energy: -551.778140 where: bonds (distance) C4'-P energy: -119.580 bonds (distance) P-C4' energy: -123.847 flat angles C4'-P-C4' energy: -136.174 flat angles P-C4'-P energy: -92.371 tors. eta vs tors. theta energy: -79.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1438.321774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.321774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.321774 (E_RNA) where: Base-Base interactions energy: -924.748 where: short stacking energy: -421.004 Base-Backbone interact. energy: 1.138 local terms energy: -514.711483 where: bonds (distance) C4'-P energy: -110.685 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -98.337 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -94.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -942.504427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.504427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.504427 (E_RNA) where: Base-Base interactions energy: -510.102 where: short stacking energy: -268.934 Base-Backbone interact. energy: 1.174 local terms energy: -433.576349 where: bonds (distance) C4'-P energy: -95.011 bonds (distance) P-C4' energy: -129.254 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -27.695 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: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -591.720979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.720979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.720979 (E_RNA) where: Base-Base interactions energy: -235.131 where: short stacking energy: -179.423 Base-Backbone interact. energy: 1.418 local terms energy: -358.007959 where: bonds (distance) C4'-P energy: -103.113 bonds (distance) P-C4' energy: -106.131 flat angles C4'-P-C4' energy: -109.726 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: 15.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2615.780266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.780266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.780266 (E_RNA) where: Base-Base interactions energy: -1819.805 where: short stacking energy: -758.745 Base-Backbone interact. energy: -0.766 local terms energy: -795.208855 where: bonds (distance) C4'-P energy: -145.364 bonds (distance) P-C4' energy: -158.909 flat angles C4'-P-C4' energy: -167.527 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -214.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2457.432020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.432020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.432020 (E_RNA) where: Base-Base interactions energy: -1706.956 where: short stacking energy: -737.963 Base-Backbone interact. energy: -0.432 local terms energy: -750.044347 where: bonds (distance) C4'-P energy: -147.386 bonds (distance) P-C4' energy: -136.067 flat angles C4'-P-C4' energy: -148.922 flat angles P-C4'-P energy: -104.913 tors. eta vs tors. theta energy: -212.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2357.239195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.239195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.239195 (E_RNA) where: Base-Base interactions energy: -1598.496 where: short stacking energy: -684.268 Base-Backbone interact. energy: -3.028 local terms energy: -755.715519 where: bonds (distance) C4'-P energy: -148.034 bonds (distance) P-C4' energy: -146.159 flat angles C4'-P-C4' energy: -160.000 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -196.178 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: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2246.075560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.075560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.075560 (E_RNA) where: Base-Base interactions energy: -1544.915 where: short stacking energy: -636.055 Base-Backbone interact. energy: -2.115 local terms energy: -699.046191 where: bonds (distance) C4'-P energy: -143.039 bonds (distance) P-C4' energy: -151.010 flat angles C4'-P-C4' energy: -154.606 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -167.779 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: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2066.594977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.594977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.594977 (E_RNA) where: Base-Base interactions energy: -1375.033 where: short stacking energy: -564.746 Base-Backbone interact. energy: -4.872 local terms energy: -686.690594 where: bonds (distance) C4'-P energy: -140.308 bonds (distance) P-C4' energy: -142.063 flat angles C4'-P-C4' energy: -145.794 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -149.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1795.353110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.353110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.353110 (E_RNA) where: Base-Base interactions energy: -1186.215 where: short stacking energy: -518.604 Base-Backbone interact. energy: -5.290 local terms energy: -603.848168 where: bonds (distance) C4'-P energy: -108.981 bonds (distance) P-C4' energy: -138.601 flat angles C4'-P-C4' energy: -139.838 flat angles P-C4'-P energy: -85.696 tors. eta vs tors. theta energy: -130.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1724.346042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.346042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.346042 (E_RNA) where: Base-Base interactions energy: -1141.373 where: short stacking energy: -520.478 Base-Backbone interact. energy: -0.879 local terms energy: -582.093865 where: bonds (distance) C4'-P energy: -116.403 bonds (distance) P-C4' energy: -122.173 flat angles C4'-P-C4' energy: -127.969 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -123.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1438.029477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.029477 (E_RNA) where: Base-Base interactions energy: -929.583 where: short stacking energy: -443.331 Base-Backbone interact. energy: 3.649 local terms energy: -512.095629 where: bonds (distance) C4'-P energy: -111.008 bonds (distance) P-C4' energy: -127.830 flat angles C4'-P-C4' energy: -119.248 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -97.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1020.604992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.604992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.604992 (E_RNA) where: Base-Base interactions energy: -562.616 where: short stacking energy: -297.071 Base-Backbone interact. energy: -1.504 local terms energy: -456.485414 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -104.324 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -37.785 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: 151 Temperature: 1.350000 Total energy: -680.601496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.601496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.601496 (E_RNA) where: Base-Base interactions energy: -318.700 where: short stacking energy: -193.428 Base-Backbone interact. energy: -1.203 local terms energy: -360.699113 where: bonds (distance) C4'-P energy: -127.719 bonds (distance) P-C4' energy: -110.184 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -61.235 tors. eta vs tors. theta energy: 31.662 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: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2595.362803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.362803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.362803 (E_RNA) where: Base-Base interactions energy: -1811.587 where: short stacking energy: -764.513 Base-Backbone interact. energy: -2.098 local terms energy: -781.677286 where: bonds (distance) C4'-P energy: -146.620 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -159.597 flat angles P-C4'-P energy: -107.211 tors. eta vs tors. theta energy: -218.072 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: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2520.775918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.775918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.775918 (E_RNA) where: Base-Base interactions energy: -1752.121 where: short stacking energy: -741.239 Base-Backbone interact. energy: -2.097 local terms energy: -766.558414 where: bonds (distance) C4'-P energy: -144.692 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -164.094 flat angles P-C4'-P energy: -103.321 tors. eta vs tors. theta energy: -203.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2322.998989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.998989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.998989 (E_RNA) where: Base-Base interactions energy: -1589.339 where: short stacking energy: -696.965 Base-Backbone interact. energy: -4.808 local terms energy: -728.851779 where: bonds (distance) C4'-P energy: -133.984 bonds (distance) P-C4' energy: -132.241 flat angles C4'-P-C4' energy: -161.887 flat angles P-C4'-P energy: -106.230 tors. eta vs tors. theta energy: -194.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2318.416545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.416545 (E_RNA) where: Base-Base interactions energy: -1638.207 where: short stacking energy: -660.543 Base-Backbone interact. energy: -3.163 local terms energy: -677.046192 where: bonds (distance) C4'-P energy: -118.160 bonds (distance) P-C4' energy: -131.229 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -103.469 tors. eta vs tors. theta energy: -179.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2087.938727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.938727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.938727 (E_RNA) where: Base-Base interactions energy: -1405.323 where: short stacking energy: -607.375 Base-Backbone interact. energy: 0.280 local terms energy: -682.895729 where: bonds (distance) C4'-P energy: -107.170 bonds (distance) P-C4' energy: -151.464 flat angles C4'-P-C4' energy: -160.268 flat angles P-C4'-P energy: -101.891 tors. eta vs tors. theta energy: -162.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1815.939657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.939657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.939657 (E_RNA) where: Base-Base interactions energy: -1183.756 where: short stacking energy: -530.758 Base-Backbone interact. energy: -3.072 local terms energy: -629.111391 where: bonds (distance) C4'-P energy: -125.203 bonds (distance) P-C4' energy: -146.304 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -80.611 tors. eta vs tors. theta energy: -136.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1753.442349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.442349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.442349 (E_RNA) where: Base-Base interactions energy: -1158.399 where: short stacking energy: -522.374 Base-Backbone interact. energy: -1.337 local terms energy: -593.706831 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -122.369 flat angles C4'-P-C4' energy: -140.140 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -134.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1406.706328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.706328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.706328 (E_RNA) where: Base-Base interactions energy: -872.540 where: short stacking energy: -387.546 Base-Backbone interact. energy: -1.809 local terms energy: -532.357154 where: bonds (distance) C4'-P energy: -128.166 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -117.987 flat angles P-C4'-P energy: -82.542 tors. eta vs tors. theta energy: -69.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -999.748301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.748301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.748301 (E_RNA) where: Base-Base interactions energy: -564.503 where: short stacking energy: -321.482 Base-Backbone interact. energy: 4.044 local terms energy: -439.289080 where: bonds (distance) C4'-P energy: -112.293 bonds (distance) P-C4' energy: -121.845 flat angles C4'-P-C4' energy: -109.509 flat angles P-C4'-P energy: -59.814 tors. eta vs tors. theta energy: -35.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -755.066968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.066968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.066968 (E_RNA) where: Base-Base interactions energy: -374.837 where: short stacking energy: -207.106 Base-Backbone interact. energy: 2.590 local terms energy: -382.819456 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -120.649 flat angles C4'-P-C4' energy: -114.343 flat angles P-C4'-P energy: -49.018 tors. eta vs tors. theta energy: 18.040 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: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2617.385500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.385500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.385500 (E_RNA) where: Base-Base interactions energy: -1822.041 where: short stacking energy: -743.781 Base-Backbone interact. energy: -1.357 local terms energy: -793.987047 where: bonds (distance) C4'-P energy: -148.292 bonds (distance) P-C4' energy: -161.864 flat angles C4'-P-C4' energy: -167.930 flat angles P-C4'-P energy: -104.834 tors. eta vs tors. theta energy: -211.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2537.235702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.235702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.235702 (E_RNA) where: Base-Base interactions energy: -1789.268 where: short stacking energy: -740.966 Base-Backbone interact. energy: -2.533 local terms energy: -745.434803 where: bonds (distance) C4'-P energy: -139.469 bonds (distance) P-C4' energy: -124.240 flat angles C4'-P-C4' energy: -154.829 flat angles P-C4'-P energy: -115.943 tors. eta vs tors. theta energy: -210.954 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2355.352175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.352175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.352175 (E_RNA) where: Base-Base interactions energy: -1580.491 where: short stacking energy: -720.706 Base-Backbone interact. energy: -5.324 local terms energy: -769.537737 where: bonds (distance) C4'-P energy: -148.184 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -160.911 flat angles P-C4'-P energy: -107.519 tors. eta vs tors. theta energy: -208.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2277.108548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.108548 (E_RNA) where: Base-Base interactions energy: -1566.217 where: short stacking energy: -659.652 Base-Backbone interact. energy: -2.524 local terms energy: -708.367203 where: bonds (distance) C4'-P energy: -136.127 bonds (distance) P-C4' energy: -138.355 flat angles C4'-P-C4' energy: -149.001 flat angles P-C4'-P energy: -103.974 tors. eta vs tors. theta energy: -180.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2084.337478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.337478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.337478 (E_RNA) where: Base-Base interactions energy: -1406.555 where: short stacking energy: -630.098 Base-Backbone interact. energy: 0.269 local terms energy: -678.050939 where: bonds (distance) C4'-P energy: -137.128 bonds (distance) P-C4' energy: -129.335 flat angles C4'-P-C4' energy: -147.786 flat angles P-C4'-P energy: -98.190 tors. eta vs tors. theta energy: -165.612 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: 153 Temperature: 1.150000 Total energy: -1842.237141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.237141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.237141 (E_RNA) where: Base-Base interactions energy: -1237.068 where: short stacking energy: -546.696 Base-Backbone interact. energy: -0.392 local terms energy: -604.777286 where: bonds (distance) C4'-P energy: -130.754 bonds (distance) P-C4' energy: -132.226 flat angles C4'-P-C4' energy: -126.441 flat angles P-C4'-P energy: -92.130 tors. eta vs tors. theta energy: -123.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1670.771227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.771227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.771227 (E_RNA) where: Base-Base interactions energy: -1096.248 where: short stacking energy: -472.874 Base-Backbone interact. energy: -0.324 local terms energy: -574.199405 where: bonds (distance) C4'-P energy: -138.681 bonds (distance) P-C4' energy: -141.906 flat angles C4'-P-C4' energy: -122.035 flat angles P-C4'-P energy: -83.154 tors. eta vs tors. theta energy: -88.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1429.886530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.886530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.886530 (E_RNA) where: Base-Base interactions energy: -886.577 where: short stacking energy: -383.416 Base-Backbone interact. energy: -1.377 local terms energy: -541.932486 where: bonds (distance) C4'-P energy: -137.734 bonds (distance) P-C4' energy: -131.051 flat angles C4'-P-C4' energy: -122.061 flat angles P-C4'-P energy: -72.805 tors. eta vs tors. theta energy: -78.281 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: 153 Temperature: 1.300000 Total energy: -999.538860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.538860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.538860 (E_RNA) where: Base-Base interactions energy: -539.019 where: short stacking energy: -292.500 Base-Backbone interact. energy: -3.978 local terms energy: -456.542045 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -120.795 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: -34.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -781.188079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.188079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.188079 (E_RNA) where: Base-Base interactions energy: -415.876 where: short stacking energy: -236.447 Base-Backbone interact. energy: -3.193 local terms energy: -362.118758 where: bonds (distance) C4'-P energy: -119.399 bonds (distance) P-C4' energy: -110.326 flat angles C4'-P-C4' energy: -103.577 flat angles P-C4'-P energy: -25.793 tors. eta vs tors. theta energy: -3.023 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2622.400754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.400754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.400754 (E_RNA) where: Base-Base interactions energy: -1841.928 where: short stacking energy: -745.763 Base-Backbone interact. energy: -0.093 local terms energy: -780.379564 where: bonds (distance) C4'-P energy: -145.464 bonds (distance) P-C4' energy: -143.788 flat angles C4'-P-C4' energy: -176.458 flat angles P-C4'-P energy: -107.054 tors. eta vs tors. theta energy: -207.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2565.378791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.378791 (E_RNA) where: Base-Base interactions energy: -1808.590 where: short stacking energy: -750.399 Base-Backbone interact. energy: -1.259 local terms energy: -755.529730 where: bonds (distance) C4'-P energy: -133.111 bonds (distance) P-C4' energy: -134.526 flat angles C4'-P-C4' energy: -175.230 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -215.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2356.766385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.766385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.766385 (E_RNA) where: Base-Base interactions energy: -1611.349 where: short stacking energy: -722.833 Base-Backbone interact. energy: -0.714 local terms energy: -744.703528 where: bonds (distance) C4'-P energy: -137.209 bonds (distance) P-C4' energy: -138.903 flat angles C4'-P-C4' energy: -153.708 flat angles P-C4'-P energy: -105.820 tors. eta vs tors. theta energy: -209.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2254.293262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.293262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.293262 (E_RNA) where: Base-Base interactions energy: -1546.269 where: short stacking energy: -627.206 Base-Backbone interact. energy: -5.153 local terms energy: -702.870467 where: bonds (distance) C4'-P energy: -145.604 bonds (distance) P-C4' energy: -127.136 flat angles C4'-P-C4' energy: -159.490 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -191.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1987.977561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.977561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.977561 (E_RNA) where: Base-Base interactions energy: -1349.906 where: short stacking energy: -582.024 Base-Backbone interact. energy: 1.121 local terms energy: -639.192116 where: bonds (distance) C4'-P energy: -136.048 bonds (distance) P-C4' energy: -131.550 flat angles C4'-P-C4' energy: -130.307 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -153.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1885.395429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.395429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.395429 (E_RNA) where: Base-Base interactions energy: -1258.165 where: short stacking energy: -554.950 Base-Backbone interact. energy: -2.594 local terms energy: -624.637062 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -132.724 flat angles C4'-P-C4' energy: -144.025 flat angles P-C4'-P energy: -88.851 tors. eta vs tors. theta energy: -132.165 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: 154 Temperature: 1.200000 Total energy: -1719.310510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.310510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.310510 (E_RNA) where: Base-Base interactions energy: -1156.917 where: short stacking energy: -491.786 Base-Backbone interact. energy: -1.447 local terms energy: -560.947380 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -116.708 flat angles C4'-P-C4' energy: -131.484 flat angles P-C4'-P energy: -84.140 tors. eta vs tors. theta energy: -103.089 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1452.159507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.159507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.159507 (E_RNA) where: Base-Base interactions energy: -952.899 where: short stacking energy: -461.327 Base-Backbone interact. energy: -0.443 local terms energy: -498.816653 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -123.737 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -82.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1000.627805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.627805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.627805 (E_RNA) where: Base-Base interactions energy: -568.198 where: short stacking energy: -296.235 Base-Backbone interact. energy: -3.207 local terms energy: -429.222294 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -128.563 flat angles C4'-P-C4' energy: -112.171 flat angles P-C4'-P energy: -71.868 tors. eta vs tors. theta energy: -19.595 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: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -754.061870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.061870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.061870 (E_RNA) where: Base-Base interactions energy: -347.210 where: short stacking energy: -188.918 Base-Backbone interact. energy: -2.631 local terms energy: -404.221442 where: bonds (distance) C4'-P energy: -113.675 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -109.099 flat angles P-C4'-P energy: -63.545 tors. eta vs tors. theta energy: 0.707 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: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2652.332632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.332632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.332632 (E_RNA) where: Base-Base interactions energy: -1863.853 where: short stacking energy: -726.962 Base-Backbone interact. energy: -2.731 local terms energy: -785.749232 where: bonds (distance) C4'-P energy: -154.099 bonds (distance) P-C4' energy: -155.160 flat angles C4'-P-C4' energy: -172.466 flat angles P-C4'-P energy: -105.348 tors. eta vs tors. theta energy: -198.676 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: 155 Temperature: 0.950000 Total energy: -2521.836206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.836206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.836206 (E_RNA) where: Base-Base interactions energy: -1767.131 where: short stacking energy: -737.485 Base-Backbone interact. energy: 1.057 local terms energy: -755.762484 where: bonds (distance) C4'-P energy: -147.550 bonds (distance) P-C4' energy: -145.978 flat angles C4'-P-C4' energy: -148.414 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -209.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2368.475791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.475791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.475791 (E_RNA) where: Base-Base interactions energy: -1613.391 where: short stacking energy: -685.336 Base-Backbone interact. energy: 0.205 local terms energy: -755.289591 where: bonds (distance) C4'-P energy: -132.040 bonds (distance) P-C4' energy: -150.436 flat angles C4'-P-C4' energy: -155.981 flat angles P-C4'-P energy: -109.377 tors. eta vs tors. theta energy: -207.456 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: 155 Temperature: 1.050000 Total energy: -2217.141724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.141724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.141724 (E_RNA) where: Base-Base interactions energy: -1519.012 where: short stacking energy: -643.184 Base-Backbone interact. energy: 1.803 local terms energy: -699.932802 where: bonds (distance) C4'-P energy: -127.900 bonds (distance) P-C4' energy: -142.267 flat angles C4'-P-C4' energy: -159.706 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -167.290 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: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1998.501320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.501320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.501320 (E_RNA) where: Base-Base interactions energy: -1324.637 where: short stacking energy: -605.370 Base-Backbone interact. energy: -3.812 local terms energy: -670.052443 where: bonds (distance) C4'-P energy: -118.570 bonds (distance) P-C4' energy: -136.024 flat angles C4'-P-C4' energy: -145.920 flat angles P-C4'-P energy: -109.331 tors. eta vs tors. theta energy: -160.208 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: 155 Temperature: 1.150000 Total energy: -1855.434820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.434820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.434820 (E_RNA) where: Base-Base interactions energy: -1204.428 where: short stacking energy: -517.348 Base-Backbone interact. energy: 0.888 local terms energy: -651.895170 where: bonds (distance) C4'-P energy: -123.689 bonds (distance) P-C4' energy: -145.840 flat angles C4'-P-C4' energy: -150.742 flat angles P-C4'-P energy: -103.330 tors. eta vs tors. theta energy: -128.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1727.486246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.486246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.486246 (E_RNA) where: Base-Base interactions energy: -1145.162 where: short stacking energy: -511.263 Base-Backbone interact. energy: 6.496 local terms energy: -588.819430 where: bonds (distance) C4'-P energy: -132.185 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -142.677 flat angles P-C4'-P energy: -71.535 tors. eta vs tors. theta energy: -110.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1429.259749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.259749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.259749 (E_RNA) where: Base-Base interactions energy: -904.109 where: short stacking energy: -425.226 Base-Backbone interact. energy: 1.673 local terms energy: -526.824083 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -103.314 flat angles C4'-P-C4' energy: -127.221 flat angles P-C4'-P energy: -88.877 tors. eta vs tors. theta energy: -78.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -999.572109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.572109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.572109 (E_RNA) where: Base-Base interactions energy: -552.568 where: short stacking energy: -299.464 Base-Backbone interact. energy: 4.024 local terms energy: -451.027847 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -115.914 flat angles C4'-P-C4' energy: -126.400 flat angles P-C4'-P energy: -72.801 tors. eta vs tors. theta energy: -25.259 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: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -653.566981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.566981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.566981 (E_RNA) where: Base-Base interactions energy: -305.105 where: short stacking energy: -225.098 Base-Backbone interact. energy: 2.977 local terms energy: -351.439440 where: bonds (distance) C4'-P energy: -103.276 bonds (distance) P-C4' energy: -126.247 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -16.975 tors. eta vs tors. theta energy: 6.977 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: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2620.430844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.430844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.430844 (E_RNA) where: Base-Base interactions energy: -1836.473 where: short stacking energy: -742.772 Base-Backbone interact. energy: 0.368 local terms energy: -784.325857 where: bonds (distance) C4'-P energy: -133.546 bonds (distance) P-C4' energy: -161.205 flat angles C4'-P-C4' energy: -168.592 flat angles P-C4'-P energy: -116.681 tors. eta vs tors. theta energy: -204.302 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: 156 Temperature: 0.950000 Total energy: -2524.008909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.008909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.008909 (E_RNA) where: Base-Base interactions energy: -1732.672 where: short stacking energy: -733.038 Base-Backbone interact. energy: -3.384 local terms energy: -787.952664 where: bonds (distance) C4'-P energy: -144.088 bonds (distance) P-C4' energy: -154.811 flat angles C4'-P-C4' energy: -166.291 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -209.392 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: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2350.620005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.620005 (E_RNA) where: Base-Base interactions energy: -1608.470 where: short stacking energy: -688.108 Base-Backbone interact. energy: -3.851 local terms energy: -738.299635 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -137.220 flat angles C4'-P-C4' energy: -161.622 flat angles P-C4'-P energy: -102.063 tors. eta vs tors. theta energy: -204.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2254.951938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.951938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.951938 (E_RNA) where: Base-Base interactions energy: -1548.305 where: short stacking energy: -654.488 Base-Backbone interact. energy: -0.161 local terms energy: -706.485965 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -134.011 flat angles C4'-P-C4' energy: -164.790 flat angles P-C4'-P energy: -93.584 tors. eta vs tors. theta energy: -178.994 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: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2011.720188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.720188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.720188 (E_RNA) where: Base-Base interactions energy: -1317.618 where: short stacking energy: -582.153 Base-Backbone interact. energy: -0.522 local terms energy: -693.580264 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -143.804 flat angles P-C4'-P energy: -112.138 tors. eta vs tors. theta energy: -154.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1844.291244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.291244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.291244 (E_RNA) where: Base-Base interactions energy: -1223.360 where: short stacking energy: -539.042 Base-Backbone interact. energy: -3.169 local terms energy: -617.762772 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -129.737 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -99.343 tors. eta vs tors. theta energy: -120.978 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1757.417573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.417573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.417573 (E_RNA) where: Base-Base interactions energy: -1160.944 where: short stacking energy: -498.961 Base-Backbone interact. energy: 7.175 local terms energy: -603.648662 where: bonds (distance) C4'-P energy: -136.683 bonds (distance) P-C4' energy: -131.598 flat angles C4'-P-C4' energy: -135.494 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -111.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1425.744978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.744978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.744978 (E_RNA) where: Base-Base interactions energy: -884.257 where: short stacking energy: -422.706 Base-Backbone interact. energy: -1.030 local terms energy: -540.458199 where: bonds (distance) C4'-P energy: -113.754 bonds (distance) P-C4' energy: -129.841 flat angles C4'-P-C4' energy: -123.828 flat angles P-C4'-P energy: -88.779 tors. eta vs tors. theta energy: -84.257 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: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -993.037893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.037893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.037893 (E_RNA) where: Base-Base interactions energy: -529.686 where: short stacking energy: -281.592 Base-Backbone interact. energy: -2.953 local terms energy: -460.398101 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -31.527 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: 156 Temperature: 1.350000 Total energy: -648.001095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.001095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.001095 (E_RNA) where: Base-Base interactions energy: -279.816 where: short stacking energy: -170.541 Base-Backbone interact. energy: 0.036 local terms energy: -368.220906 where: bonds (distance) C4'-P energy: -112.183 bonds (distance) P-C4' energy: -123.580 flat angles C4'-P-C4' energy: -87.958 flat angles P-C4'-P energy: -65.547 tors. eta vs tors. theta energy: 21.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2631.320258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.320258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.320258 (E_RNA) where: Base-Base interactions energy: -1845.801 where: short stacking energy: -741.317 Base-Backbone interact. energy: -1.231 local terms energy: -784.287997 where: bonds (distance) C4'-P energy: -143.399 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -179.641 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -212.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2519.003729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.003729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.003729 (E_RNA) where: Base-Base interactions energy: -1763.022 where: short stacking energy: -731.389 Base-Backbone interact. energy: -0.474 local terms energy: -755.507528 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -135.185 flat angles C4'-P-C4' energy: -157.424 flat angles P-C4'-P energy: -120.181 tors. eta vs tors. theta energy: -208.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2358.879260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.879260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.879260 (E_RNA) where: Base-Base interactions energy: -1608.688 where: short stacking energy: -685.121 Base-Backbone interact. energy: 2.235 local terms energy: -752.425679 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -133.661 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -109.692 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: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2232.984718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.984718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.984718 (E_RNA) where: Base-Base interactions energy: -1504.395 where: short stacking energy: -646.050 Base-Backbone interact. energy: -2.262 local terms energy: -726.328206 where: bonds (distance) C4'-P energy: -142.227 bonds (distance) P-C4' energy: -140.513 flat angles C4'-P-C4' energy: -157.293 flat angles P-C4'-P energy: -98.849 tors. eta vs tors. theta energy: -187.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2041.055613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.055613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.055613 (E_RNA) where: Base-Base interactions energy: -1418.056 where: short stacking energy: -585.540 Base-Backbone interact. energy: -2.687 local terms energy: -620.313072 where: bonds (distance) C4'-P energy: -115.710 bonds (distance) P-C4' energy: -124.542 flat angles C4'-P-C4' energy: -154.379 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -135.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1832.472642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.472642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.472642 (E_RNA) where: Base-Base interactions energy: -1229.401 where: short stacking energy: -558.079 Base-Backbone interact. energy: -1.155 local terms energy: -601.915780 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -120.766 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -137.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1765.073587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.073587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.073587 (E_RNA) where: Base-Base interactions energy: -1176.236 where: short stacking energy: -504.086 Base-Backbone interact. energy: -0.988 local terms energy: -587.848923 where: bonds (distance) C4'-P energy: -116.539 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -130.224 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -124.733 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: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1454.111259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.111259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.111259 (E_RNA) where: Base-Base interactions energy: -936.684 where: short stacking energy: -451.961 Base-Backbone interact. energy: 5.276 local terms energy: -522.703295 where: bonds (distance) C4'-P energy: -107.057 bonds (distance) P-C4' energy: -118.576 flat angles C4'-P-C4' energy: -114.847 flat angles P-C4'-P energy: -90.542 tors. eta vs tors. theta energy: -91.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -989.996119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.996119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.996119 (E_RNA) where: Base-Base interactions energy: -537.504 where: short stacking energy: -297.442 Base-Backbone interact. energy: -1.225 local terms energy: -451.267626 where: bonds (distance) C4'-P energy: -130.949 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -104.022 flat angles P-C4'-P energy: -73.640 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -627.160150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.160150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.160150 (E_RNA) where: Base-Base interactions energy: -250.112 where: short stacking energy: -167.914 Base-Backbone interact. energy: 6.358 local terms energy: -383.406215 where: bonds (distance) C4'-P energy: -130.386 bonds (distance) P-C4' energy: -130.896 flat angles C4'-P-C4' energy: -106.956 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: 21.566 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: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2635.089972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.089972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.089972 (E_RNA) where: Base-Base interactions energy: -1839.604 where: short stacking energy: -748.549 Base-Backbone interact. energy: -2.778 local terms energy: -792.708821 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -163.713 flat angles C4'-P-C4' energy: -166.839 flat angles P-C4'-P energy: -101.918 tors. eta vs tors. theta energy: -211.656 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: 158 Temperature: 0.950000 Total energy: -2518.471614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.471614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.471614 (E_RNA) where: Base-Base interactions energy: -1736.824 where: short stacking energy: -718.134 Base-Backbone interact. energy: -1.655 local terms energy: -779.992592 where: bonds (distance) C4'-P energy: -149.765 bonds (distance) P-C4' energy: -156.245 flat angles C4'-P-C4' energy: -163.131 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -202.782 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: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2307.048715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.048715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.048715 (E_RNA) where: Base-Base interactions energy: -1609.015 where: short stacking energy: -656.900 Base-Backbone interact. energy: -2.883 local terms energy: -695.150683 where: bonds (distance) C4'-P energy: -124.844 bonds (distance) P-C4' energy: -139.091 flat angles C4'-P-C4' energy: -162.991 flat angles P-C4'-P energy: -93.126 tors. eta vs tors. theta energy: -175.100 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: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2274.532949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.532949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.532949 (E_RNA) where: Base-Base interactions energy: -1544.731 where: short stacking energy: -656.046 Base-Backbone interact. energy: -0.983 local terms energy: -728.819208 where: bonds (distance) C4'-P energy: -137.152 bonds (distance) P-C4' energy: -142.223 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -98.917 tors. eta vs tors. theta energy: -193.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2103.269704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.269704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.269704 (E_RNA) where: Base-Base interactions energy: -1433.316 where: short stacking energy: -619.465 Base-Backbone interact. energy: -0.548 local terms energy: -669.405477 where: bonds (distance) C4'-P energy: -121.092 bonds (distance) P-C4' energy: -139.118 flat angles C4'-P-C4' energy: -130.336 flat angles P-C4'-P energy: -102.223 tors. eta vs tors. theta energy: -176.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1814.257826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.257826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.257826 (E_RNA) where: Base-Base interactions energy: -1190.361 where: short stacking energy: -543.510 Base-Backbone interact. energy: -2.003 local terms energy: -621.893381 where: bonds (distance) C4'-P energy: -119.079 bonds (distance) P-C4' energy: -133.877 flat angles C4'-P-C4' energy: -158.896 flat angles P-C4'-P energy: -90.131 tors. eta vs tors. theta energy: -119.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1810.486241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.486241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.486241 (E_RNA) where: Base-Base interactions energy: -1202.083 where: short stacking energy: -524.866 Base-Backbone interact. energy: -0.607 local terms energy: -607.796577 where: bonds (distance) C4'-P energy: -125.636 bonds (distance) P-C4' energy: -128.841 flat angles C4'-P-C4' energy: -136.380 flat angles P-C4'-P energy: -88.709 tors. eta vs tors. theta energy: -128.230 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: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1421.232172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.232172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.232172 (E_RNA) where: Base-Base interactions energy: -900.406 where: short stacking energy: -427.008 Base-Backbone interact. energy: -1.621 local terms energy: -519.205889 where: bonds (distance) C4'-P energy: -126.337 bonds (distance) P-C4' energy: -138.773 flat angles C4'-P-C4' energy: -118.255 flat angles P-C4'-P energy: -62.485 tors. eta vs tors. theta energy: -73.357 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: 158 Temperature: 1.300000 Total energy: -960.295263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.295263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.295263 (E_RNA) where: Base-Base interactions energy: -520.861 where: short stacking energy: -242.994 Base-Backbone interact. energy: -1.388 local terms energy: -438.046608 where: bonds (distance) C4'-P energy: -119.695 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -112.373 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -6.000 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: 158 Temperature: 1.350000 Total energy: -611.049331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.049331 (E_RNA) where: Base-Base interactions energy: -251.944 where: short stacking energy: -171.736 Base-Backbone interact. energy: 1.550 local terms energy: -360.655302 where: bonds (distance) C4'-P energy: -98.958 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -92.606 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: 17.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2658.312176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.312176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.312176 (E_RNA) where: Base-Base interactions energy: -1895.099 where: short stacking energy: -766.163 Base-Backbone interact. energy: 0.904 local terms energy: -764.117346 where: bonds (distance) C4'-P energy: -127.917 bonds (distance) P-C4' energy: -144.218 flat angles C4'-P-C4' energy: -170.281 flat angles P-C4'-P energy: -112.234 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: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2501.019659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.019659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.019659 (E_RNA) where: Base-Base interactions energy: -1761.522 where: short stacking energy: -730.338 Base-Backbone interact. energy: -0.677 local terms energy: -738.820137 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -146.879 flat angles C4'-P-C4' energy: -155.186 flat angles P-C4'-P energy: -114.478 tors. eta vs tors. theta energy: -195.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2326.858031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.858031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.858031 (E_RNA) where: Base-Base interactions energy: -1584.748 where: short stacking energy: -664.163 Base-Backbone interact. energy: -1.124 local terms energy: -740.985957 where: bonds (distance) C4'-P energy: -150.248 bonds (distance) P-C4' energy: -141.805 flat angles C4'-P-C4' energy: -166.533 flat angles P-C4'-P energy: -102.389 tors. eta vs tors. theta energy: -180.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2303.577740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.577740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.577740 (E_RNA) where: Base-Base interactions energy: -1569.534 where: short stacking energy: -706.554 Base-Backbone interact. energy: -0.465 local terms energy: -733.578673 where: bonds (distance) C4'-P energy: -143.417 bonds (distance) P-C4' energy: -134.391 flat angles C4'-P-C4' energy: -161.075 flat angles P-C4'-P energy: -93.641 tors. eta vs tors. theta energy: -201.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2064.083928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.083928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.083928 (E_RNA) where: Base-Base interactions energy: -1373.592 where: short stacking energy: -574.097 Base-Backbone interact. energy: -2.561 local terms energy: -687.930844 where: bonds (distance) C4'-P energy: -138.513 bonds (distance) P-C4' energy: -144.655 flat angles C4'-P-C4' energy: -143.473 flat angles P-C4'-P energy: -93.782 tors. eta vs tors. theta energy: -167.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1805.449376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.449376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.449376 (E_RNA) where: Base-Base interactions energy: -1204.296 where: short stacking energy: -541.803 Base-Backbone interact. energy: 7.900 local terms energy: -609.053914 where: bonds (distance) C4'-P energy: -131.028 bonds (distance) P-C4' energy: -119.067 flat angles C4'-P-C4' energy: -133.271 flat angles P-C4'-P energy: -90.423 tors. eta vs tors. theta energy: -135.264 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: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1805.331320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.331320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.331320 (E_RNA) where: Base-Base interactions energy: -1190.525 where: short stacking energy: -526.453 Base-Backbone interact. energy: 1.241 local terms energy: -616.047023 where: bonds (distance) C4'-P energy: -129.794 bonds (distance) P-C4' energy: -125.525 flat angles C4'-P-C4' energy: -154.566 flat angles P-C4'-P energy: -87.142 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: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1462.463747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.463747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.463747 (E_RNA) where: Base-Base interactions energy: -901.112 where: short stacking energy: -404.540 Base-Backbone interact. energy: -2.974 local terms energy: -558.377621 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -140.254 flat angles C4'-P-C4' energy: -121.883 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -106.088 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: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1009.601656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.601656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.601656 (E_RNA) where: Base-Base interactions energy: -550.173 where: short stacking energy: -311.948 Base-Backbone interact. energy: 3.324 local terms energy: -462.752840 where: bonds (distance) C4'-P energy: -102.416 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -125.704 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -41.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -613.054488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.054488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.054488 (E_RNA) where: Base-Base interactions energy: -222.209 where: short stacking energy: -169.957 Base-Backbone interact. energy: -4.589 local terms energy: -386.256217 where: bonds (distance) C4'-P energy: -130.476 bonds (distance) P-C4' energy: -119.333 flat angles C4'-P-C4' energy: -109.171 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: 24.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2646.290977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.290977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.290977 (E_RNA) where: Base-Base interactions energy: -1881.291 where: short stacking energy: -778.441 Base-Backbone interact. energy: -0.941 local terms energy: -764.059497 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -170.812 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -229.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2508.658112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.658112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.658112 (E_RNA) where: Base-Base interactions energy: -1722.708 where: short stacking energy: -732.859 Base-Backbone interact. energy: -3.491 local terms energy: -782.459518 where: bonds (distance) C4'-P energy: -142.838 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -171.532 flat angles P-C4'-P energy: -109.407 tors. eta vs tors. theta energy: -215.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2341.130045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.130045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.130045 (E_RNA) where: Base-Base interactions energy: -1588.018 where: short stacking energy: -708.387 Base-Backbone interact. energy: -0.719 local terms energy: -752.392467 where: bonds (distance) C4'-P energy: -146.089 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -164.260 flat angles P-C4'-P energy: -102.393 tors. eta vs tors. theta energy: -203.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2279.183878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.183878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.183878 (E_RNA) where: Base-Base interactions energy: -1555.073 where: short stacking energy: -655.736 Base-Backbone interact. energy: -3.825 local terms energy: -720.286797 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -147.566 flat angles C4'-P-C4' energy: -160.088 flat angles P-C4'-P energy: -110.343 tors. eta vs tors. theta energy: -178.469 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2040.024148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.024148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.024148 (E_RNA) where: Base-Base interactions energy: -1359.375 where: short stacking energy: -594.668 Base-Backbone interact. energy: -1.784 local terms energy: -678.865935 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -167.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1894.482568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.482568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.482568 (E_RNA) where: Base-Base interactions energy: -1250.327 where: short stacking energy: -582.890 Base-Backbone interact. energy: -2.517 local terms energy: -641.639182 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -126.629 flat angles C4'-P-C4' energy: -143.433 flat angles P-C4'-P energy: -87.405 tors. eta vs tors. theta energy: -149.419 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: 160 Temperature: 1.200000 Total energy: -1779.272132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.272132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.272132 (E_RNA) where: Base-Base interactions energy: -1199.968 where: short stacking energy: -522.366 Base-Backbone interact. energy: 0.641 local terms energy: -579.945343 where: bonds (distance) C4'-P energy: -126.287 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -140.787 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -111.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1411.860746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.860746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.860746 (E_RNA) where: Base-Base interactions energy: -866.088 where: short stacking energy: -409.158 Base-Backbone interact. energy: -2.922 local terms energy: -542.850562 where: bonds (distance) C4'-P energy: -123.096 bonds (distance) P-C4' energy: -135.122 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -70.017 tors. eta vs tors. theta energy: -85.276 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: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1038.879512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.879512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.879512 (E_RNA) where: Base-Base interactions energy: -561.517 where: short stacking energy: -296.108 Base-Backbone interact. energy: 1.485 local terms energy: -478.847098 where: bonds (distance) C4'-P energy: -102.018 bonds (distance) P-C4' energy: -149.220 flat angles C4'-P-C4' energy: -123.596 flat angles P-C4'-P energy: -78.266 tors. eta vs tors. theta energy: -25.746 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: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -591.090912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.090912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.090912 (E_RNA) where: Base-Base interactions energy: -232.238 where: short stacking energy: -172.802 Base-Backbone interact. energy: 1.897 local terms energy: -360.750553 where: bonds (distance) C4'-P energy: -125.954 bonds (distance) P-C4' energy: -128.491 flat angles C4'-P-C4' energy: -98.880 flat angles P-C4'-P energy: -37.905 tors. eta vs tors. theta energy: 30.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2627.942578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.942578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.942578 (E_RNA) where: Base-Base interactions energy: -1831.437 where: short stacking energy: -748.376 Base-Backbone interact. energy: -0.483 local terms energy: -796.022714 where: bonds (distance) C4'-P energy: -151.366 bonds (distance) P-C4' energy: -164.744 flat angles C4'-P-C4' energy: -162.434 flat angles P-C4'-P energy: -109.568 tors. eta vs tors. theta energy: -207.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2508.318270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.318270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.318270 (E_RNA) where: Base-Base interactions energy: -1726.672 where: short stacking energy: -731.742 Base-Backbone interact. energy: 2.424 local terms energy: -784.070271 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -150.584 flat angles C4'-P-C4' energy: -167.922 flat angles P-C4'-P energy: -114.934 tors. eta vs tors. theta energy: -212.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2315.962446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.962446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.962446 (E_RNA) where: Base-Base interactions energy: -1554.458 where: short stacking energy: -677.419 Base-Backbone interact. energy: -1.386 local terms energy: -760.118888 where: bonds (distance) C4'-P energy: -151.273 bonds (distance) P-C4' energy: -139.812 flat angles C4'-P-C4' energy: -162.297 flat angles P-C4'-P energy: -104.001 tors. eta vs tors. theta energy: -202.736 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: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2227.960921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.960921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.960921 (E_RNA) where: Base-Base interactions energy: -1560.588 where: short stacking energy: -648.953 Base-Backbone interact. energy: 5.804 local terms energy: -673.177541 where: bonds (distance) C4'-P energy: -130.142 bonds (distance) P-C4' energy: -125.066 flat angles C4'-P-C4' energy: -154.892 flat angles P-C4'-P energy: -90.807 tors. eta vs tors. theta energy: -172.271 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: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2070.563014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.563014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.563014 (E_RNA) where: Base-Base interactions energy: -1411.129 where: short stacking energy: -586.909 Base-Backbone interact. energy: -2.979 local terms energy: -656.455859 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -153.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1904.005947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.005947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.005947 (E_RNA) where: Base-Base interactions energy: -1286.132 where: short stacking energy: -537.552 Base-Backbone interact. energy: -2.233 local terms energy: -615.640970 where: bonds (distance) C4'-P energy: -122.542 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -136.451 flat angles P-C4'-P energy: -90.960 tors. eta vs tors. theta energy: -139.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1795.897912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.897912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.897912 (E_RNA) where: Base-Base interactions energy: -1202.454 where: short stacking energy: -515.599 Base-Backbone interact. energy: -2.109 local terms energy: -591.335699 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -146.073 flat angles C4'-P-C4' energy: -133.577 flat angles P-C4'-P energy: -89.521 tors. eta vs tors. theta energy: -109.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1409.700007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.700007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.700007 (E_RNA) where: Base-Base interactions energy: -872.451 where: short stacking energy: -416.920 Base-Backbone interact. energy: -2.378 local terms energy: -534.871125 where: bonds (distance) C4'-P energy: -126.280 bonds (distance) P-C4' energy: -132.718 flat angles C4'-P-C4' energy: -130.798 flat angles P-C4'-P energy: -65.048 tors. eta vs tors. theta energy: -80.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -946.719621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.719621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.719621 (E_RNA) where: Base-Base interactions energy: -494.917 where: short stacking energy: -275.641 Base-Backbone interact. energy: -2.708 local terms energy: -449.094636 where: bonds (distance) C4'-P energy: -125.790 bonds (distance) P-C4' energy: -123.767 flat angles C4'-P-C4' energy: -116.845 flat angles P-C4'-P energy: -73.586 tors. eta vs tors. theta energy: -9.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -564.346604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.346604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.346604 (E_RNA) where: Base-Base interactions energy: -181.697 where: short stacking energy: -153.795 Base-Backbone interact. energy: 2.990 local terms energy: -385.640359 where: bonds (distance) C4'-P energy: -130.327 bonds (distance) P-C4' energy: -128.751 flat angles C4'-P-C4' energy: -78.314 flat angles P-C4'-P energy: -75.360 tors. eta vs tors. theta energy: 27.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2629.994219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.994219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.994219 (E_RNA) where: Base-Base interactions energy: -1836.299 where: short stacking energy: -758.870 Base-Backbone interact. energy: -3.213 local terms energy: -790.482149 where: bonds (distance) C4'-P energy: -149.896 bonds (distance) P-C4' energy: -161.125 flat angles C4'-P-C4' energy: -162.849 flat angles P-C4'-P energy: -105.850 tors. eta vs tors. theta energy: -210.762 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: 162 Temperature: 0.950000 Total energy: -2478.924581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.924581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.924581 (E_RNA) where: Base-Base interactions energy: -1715.290 where: short stacking energy: -755.804 Base-Backbone interact. energy: -3.540 local terms energy: -760.095124 where: bonds (distance) C4'-P energy: -142.874 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -163.259 flat angles P-C4'-P energy: -111.270 tors. eta vs tors. theta energy: -207.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2361.738210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.738210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.738210 (E_RNA) where: Base-Base interactions energy: -1597.876 where: short stacking energy: -712.032 Base-Backbone interact. energy: -1.934 local terms energy: -761.928087 where: bonds (distance) C4'-P energy: -132.020 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -168.102 flat angles P-C4'-P energy: -97.186 tors. eta vs tors. theta energy: -226.784 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: 162 Temperature: 1.050000 Total energy: -2263.186071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.186071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.186071 (E_RNA) where: Base-Base interactions energy: -1559.843 where: short stacking energy: -678.351 Base-Backbone interact. energy: 4.843 local terms energy: -708.186869 where: bonds (distance) C4'-P energy: -132.699 bonds (distance) P-C4' energy: -138.175 flat angles C4'-P-C4' energy: -144.349 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -183.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2055.658553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.658553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.658553 (E_RNA) where: Base-Base interactions energy: -1383.543 where: short stacking energy: -597.053 Base-Backbone interact. energy: -2.424 local terms energy: -669.692241 where: bonds (distance) C4'-P energy: -129.304 bonds (distance) P-C4' energy: -141.374 flat angles C4'-P-C4' energy: -131.824 flat angles P-C4'-P energy: -102.013 tors. eta vs tors. theta energy: -165.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1926.830946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.830946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.830946 (E_RNA) where: Base-Base interactions energy: -1285.588 where: short stacking energy: -551.906 Base-Backbone interact. energy: 0.218 local terms energy: -641.461213 where: bonds (distance) C4'-P energy: -134.050 bonds (distance) P-C4' energy: -128.940 flat angles C4'-P-C4' energy: -138.943 flat angles P-C4'-P energy: -107.096 tors. eta vs tors. theta energy: -132.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1775.230306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.230306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.230306 (E_RNA) where: Base-Base interactions energy: -1168.021 where: short stacking energy: -500.818 Base-Backbone interact. energy: -4.083 local terms energy: -603.125936 where: bonds (distance) C4'-P energy: -131.588 bonds (distance) P-C4' energy: -124.957 flat angles C4'-P-C4' energy: -150.528 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -114.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1396.371624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.371624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.371624 (E_RNA) where: Base-Base interactions energy: -879.521 where: short stacking energy: -384.652 Base-Backbone interact. energy: -2.924 local terms energy: -513.926022 where: bonds (distance) C4'-P energy: -114.396 bonds (distance) P-C4' energy: -113.724 flat angles C4'-P-C4' energy: -118.697 flat angles P-C4'-P energy: -93.522 tors. eta vs tors. theta energy: -73.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -841.467274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.467274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.467274 (E_RNA) where: Base-Base interactions energy: -408.594 where: short stacking energy: -262.508 Base-Backbone interact. energy: 1.414 local terms energy: -434.287732 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -127.590 flat angles C4'-P-C4' energy: -111.828 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -640.654544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.654544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.654544 (E_RNA) where: Base-Base interactions energy: -277.839 where: short stacking energy: -208.745 Base-Backbone interact. energy: 2.085 local terms energy: -364.900486 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -117.066 flat angles C4'-P-C4' energy: -89.333 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: 16.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2642.470448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.470448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.470448 (E_RNA) where: Base-Base interactions energy: -1855.681 where: short stacking energy: -751.627 Base-Backbone interact. energy: -1.239 local terms energy: -785.550394 where: bonds (distance) C4'-P energy: -144.169 bonds (distance) P-C4' energy: -145.281 flat angles C4'-P-C4' energy: -164.651 flat angles P-C4'-P energy: -114.407 tors. eta vs tors. theta energy: -217.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2541.065615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.065615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.065615 (E_RNA) where: Base-Base interactions energy: -1767.933 where: short stacking energy: -739.752 Base-Backbone interact. energy: 1.585 local terms energy: -774.718311 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -144.035 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -124.971 tors. eta vs tors. theta energy: -212.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2366.036223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.036223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.036223 (E_RNA) where: Base-Base interactions energy: -1589.912 where: short stacking energy: -723.943 Base-Backbone interact. energy: -4.244 local terms energy: -771.880524 where: bonds (distance) C4'-P energy: -141.210 bonds (distance) P-C4' energy: -140.847 flat angles C4'-P-C4' energy: -175.642 flat angles P-C4'-P energy: -98.958 tors. eta vs tors. theta energy: -215.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2209.199587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.199587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.199587 (E_RNA) where: Base-Base interactions energy: -1513.873 where: short stacking energy: -614.114 Base-Backbone interact. energy: -1.876 local terms energy: -693.451530 where: bonds (distance) C4'-P energy: -125.363 bonds (distance) P-C4' energy: -150.992 flat angles C4'-P-C4' energy: -146.033 flat angles P-C4'-P energy: -101.454 tors. eta vs tors. theta energy: -169.609 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: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2097.757979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.757979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.757979 (E_RNA) where: Base-Base interactions energy: -1409.476 where: short stacking energy: -590.357 Base-Backbone interact. energy: -2.460 local terms energy: -685.821114 where: bonds (distance) C4'-P energy: -144.374 bonds (distance) P-C4' energy: -133.699 flat angles C4'-P-C4' energy: -159.746 flat angles P-C4'-P energy: -87.167 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1971.924116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.924116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.924116 (E_RNA) where: Base-Base interactions energy: -1304.258 where: short stacking energy: -584.071 Base-Backbone interact. energy: -1.839 local terms energy: -665.826900 where: bonds (distance) C4'-P energy: -123.170 bonds (distance) P-C4' energy: -136.443 flat angles C4'-P-C4' energy: -147.631 flat angles P-C4'-P energy: -99.643 tors. eta vs tors. theta energy: -158.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1768.373896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.373896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.373896 (E_RNA) where: Base-Base interactions energy: -1168.942 where: short stacking energy: -524.983 Base-Backbone interact. energy: 1.244 local terms energy: -600.676202 where: bonds (distance) C4'-P energy: -137.953 bonds (distance) P-C4' energy: -132.435 flat angles C4'-P-C4' energy: -131.610 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -121.402 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: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1396.543455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.543455 (E_RNA) where: Base-Base interactions energy: -881.274 where: short stacking energy: -403.633 Base-Backbone interact. energy: -0.342 local terms energy: -514.927636 where: bonds (distance) C4'-P energy: -129.878 bonds (distance) P-C4' energy: -125.752 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -74.567 tors. eta vs tors. theta energy: -74.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -843.284051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.284051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.284051 (E_RNA) where: Base-Base interactions energy: -410.003 where: short stacking energy: -235.088 Base-Backbone interact. energy: -1.974 local terms energy: -431.306410 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -117.354 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -7.000 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: 163 Temperature: 1.350000 Total energy: -637.063367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.063367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.063367 (E_RNA) where: Base-Base interactions energy: -271.057 where: short stacking energy: -164.003 Base-Backbone interact. energy: 1.719 local terms energy: -367.725834 where: bonds (distance) C4'-P energy: -124.716 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -96.424 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: 21.059 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2623.929679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.929679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.929679 (E_RNA) where: Base-Base interactions energy: -1846.764 where: short stacking energy: -743.397 Base-Backbone interact. energy: 0.772 local terms energy: -777.937452 where: bonds (distance) C4'-P energy: -147.146 bonds (distance) P-C4' energy: -144.905 flat angles C4'-P-C4' energy: -168.076 flat angles P-C4'-P energy: -100.526 tors. eta vs tors. theta energy: -217.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2511.680152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.680152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.680152 (E_RNA) where: Base-Base interactions energy: -1738.973 where: short stacking energy: -728.244 Base-Backbone interact. energy: -0.112 local terms energy: -772.594820 where: bonds (distance) C4'-P energy: -134.925 bonds (distance) P-C4' energy: -147.218 flat angles C4'-P-C4' energy: -170.036 flat angles P-C4'-P energy: -110.287 tors. eta vs tors. theta energy: -210.128 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: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2373.057158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.057158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.057158 (E_RNA) where: Base-Base interactions energy: -1614.648 where: short stacking energy: -709.212 Base-Backbone interact. energy: -2.000 local terms energy: -756.409413 where: bonds (distance) C4'-P energy: -124.610 bonds (distance) P-C4' energy: -147.928 flat angles C4'-P-C4' energy: -167.870 flat angles P-C4'-P energy: -105.757 tors. eta vs tors. theta energy: -210.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2192.102806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.102806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.102806 (E_RNA) where: Base-Base interactions energy: -1517.269 where: short stacking energy: -648.674 Base-Backbone interact. energy: -5.170 local terms energy: -669.664370 where: bonds (distance) C4'-P energy: -127.485 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -162.716 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -171.181 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: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2158.275767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.275767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.275767 (E_RNA) where: Base-Base interactions energy: -1457.963 where: short stacking energy: -614.373 Base-Backbone interact. energy: -4.363 local terms energy: -695.949807 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -140.566 flat angles P-C4'-P energy: -102.315 tors. eta vs tors. theta energy: -171.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1969.204020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.204020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.204020 (E_RNA) where: Base-Base interactions energy: -1310.892 where: short stacking energy: -584.341 Base-Backbone interact. energy: -2.808 local terms energy: -655.504690 where: bonds (distance) C4'-P energy: -117.684 bonds (distance) P-C4' energy: -128.174 flat angles C4'-P-C4' energy: -153.409 flat angles P-C4'-P energy: -97.511 tors. eta vs tors. theta energy: -158.727 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1724.624139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.624139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.624139 (E_RNA) where: Base-Base interactions energy: -1143.934 where: short stacking energy: -483.938 Base-Backbone interact. energy: 5.959 local terms energy: -586.649458 where: bonds (distance) C4'-P energy: -112.253 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -119.498 flat angles P-C4'-P energy: -103.243 tors. eta vs tors. theta energy: -112.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1386.296882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.296882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.296882 (E_RNA) where: Base-Base interactions energy: -869.780 where: short stacking energy: -400.846 Base-Backbone interact. energy: -1.254 local terms energy: -515.262624 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -136.704 flat angles C4'-P-C4' energy: -123.103 flat angles P-C4'-P energy: -78.220 tors. eta vs tors. theta energy: -72.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -852.797307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.797307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.797307 (E_RNA) where: Base-Base interactions energy: -416.648 where: short stacking energy: -248.165 Base-Backbone interact. energy: -0.517 local terms energy: -435.632402 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -112.824 flat angles C4'-P-C4' energy: -116.160 flat angles P-C4'-P energy: -63.322 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -632.811802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.811802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.811802 (E_RNA) where: Base-Base interactions energy: -258.848 where: short stacking energy: -188.401 Base-Backbone interact. energy: 5.241 local terms energy: -379.205465 where: bonds (distance) C4'-P energy: -111.235 bonds (distance) P-C4' energy: -117.125 flat angles C4'-P-C4' energy: -108.687 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: 27.278 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2634.369533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.369533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.369533 (E_RNA) where: Base-Base interactions energy: -1881.029 where: short stacking energy: -733.154 Base-Backbone interact. energy: 0.518 local terms energy: -753.858167 where: bonds (distance) C4'-P energy: -141.870 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -149.870 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -210.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2514.351747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.351747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.351747 (E_RNA) where: Base-Base interactions energy: -1757.172 where: short stacking energy: -723.113 Base-Backbone interact. energy: -1.876 local terms energy: -755.304463 where: bonds (distance) C4'-P energy: -142.148 bonds (distance) P-C4' energy: -142.609 flat angles C4'-P-C4' energy: -159.044 flat angles P-C4'-P energy: -111.086 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: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2391.194602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.194602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.194602 (E_RNA) where: Base-Base interactions energy: -1601.359 where: short stacking energy: -718.857 Base-Backbone interact. energy: -2.819 local terms energy: -787.017123 where: bonds (distance) C4'-P energy: -131.694 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -167.518 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -231.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2179.167821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.167821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.167821 (E_RNA) where: Base-Base interactions energy: -1487.935 where: short stacking energy: -610.313 Base-Backbone interact. energy: -0.050 local terms energy: -691.182910 where: bonds (distance) C4'-P energy: -143.375 bonds (distance) P-C4' energy: -160.267 flat angles C4'-P-C4' energy: -137.227 flat angles P-C4'-P energy: -87.704 tors. eta vs tors. theta energy: -162.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2144.323014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.323014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.323014 (E_RNA) where: Base-Base interactions energy: -1455.817 where: short stacking energy: -604.411 Base-Backbone interact. energy: -1.133 local terms energy: -687.373421 where: bonds (distance) C4'-P energy: -118.595 bonds (distance) P-C4' energy: -141.979 flat angles C4'-P-C4' energy: -160.100 flat angles P-C4'-P energy: -106.239 tors. eta vs tors. theta energy: -160.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1922.448015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.448015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.448015 (E_RNA) where: Base-Base interactions energy: -1290.274 where: short stacking energy: -581.089 Base-Backbone interact. energy: 5.276 local terms energy: -637.449889 where: bonds (distance) C4'-P energy: -128.695 bonds (distance) P-C4' energy: -127.385 flat angles C4'-P-C4' energy: -144.177 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -143.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1677.767532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.767532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.767532 (E_RNA) where: Base-Base interactions energy: -1097.526 where: short stacking energy: -465.082 Base-Backbone interact. energy: -0.899 local terms energy: -579.341732 where: bonds (distance) C4'-P energy: -129.999 bonds (distance) P-C4' energy: -129.962 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -111.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1355.488419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.488419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.488419 (E_RNA) where: Base-Base interactions energy: -846.070 where: short stacking energy: -361.003 Base-Backbone interact. energy: 0.724 local terms energy: -510.142826 where: bonds (distance) C4'-P energy: -111.187 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -111.724 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -59.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -947.258390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.258390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.258390 (E_RNA) where: Base-Base interactions energy: -494.192 where: short stacking energy: -296.401 Base-Backbone interact. energy: -1.818 local terms energy: -451.249199 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -113.417 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -20.991 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: 165 Temperature: 1.350000 Total energy: -586.459115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.459115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.459115 (E_RNA) where: Base-Base interactions energy: -254.531 where: short stacking energy: -195.315 Base-Backbone interact. energy: 5.550 local terms energy: -337.478012 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -126.113 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -47.638 tors. eta vs tors. theta energy: 33.238 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: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2659.337082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.337082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.337082 (E_RNA) where: Base-Base interactions energy: -1867.540 where: short stacking energy: -773.539 Base-Backbone interact. energy: -0.741 local terms energy: -791.056056 where: bonds (distance) C4'-P energy: -135.974 bonds (distance) P-C4' energy: -167.421 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -109.752 tors. eta vs tors. theta energy: -216.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2519.210915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.210915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.210915 (E_RNA) where: Base-Base interactions energy: -1742.226 where: short stacking energy: -741.725 Base-Backbone interact. energy: -0.913 local terms energy: -776.071372 where: bonds (distance) C4'-P energy: -139.162 bonds (distance) P-C4' energy: -137.876 flat angles C4'-P-C4' energy: -159.004 flat angles P-C4'-P energy: -121.208 tors. eta vs tors. theta energy: -218.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2356.430895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.430895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.430895 (E_RNA) where: Base-Base interactions energy: -1590.645 where: short stacking energy: -723.640 Base-Backbone interact. energy: -4.177 local terms energy: -761.608200 where: bonds (distance) C4'-P energy: -145.002 bonds (distance) P-C4' energy: -128.138 flat angles C4'-P-C4' energy: -173.635 flat angles P-C4'-P energy: -99.533 tors. eta vs tors. theta energy: -215.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2240.770617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.770617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.770617 (E_RNA) where: Base-Base interactions energy: -1533.162 where: short stacking energy: -626.974 Base-Backbone interact. energy: -4.245 local terms energy: -703.362761 where: bonds (distance) C4'-P energy: -138.107 bonds (distance) P-C4' energy: -144.440 flat angles C4'-P-C4' energy: -148.281 flat angles P-C4'-P energy: -98.264 tors. eta vs tors. theta energy: -174.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2110.107095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.107095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.107095 (E_RNA) where: Base-Base interactions energy: -1408.439 where: short stacking energy: -595.779 Base-Backbone interact. energy: -3.924 local terms energy: -697.744449 where: bonds (distance) C4'-P energy: -150.609 bonds (distance) P-C4' energy: -138.300 flat angles C4'-P-C4' energy: -146.951 flat angles P-C4'-P energy: -95.770 tors. eta vs tors. theta energy: -166.115 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: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1853.716697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.716697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.716697 (E_RNA) where: Base-Base interactions energy: -1265.339 where: short stacking energy: -519.873 Base-Backbone interact. energy: -1.884 local terms energy: -586.494467 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -141.136 flat angles P-C4'-P energy: -76.131 tors. eta vs tors. theta energy: -127.155 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: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1769.570837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.570837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.570837 (E_RNA) where: Base-Base interactions energy: -1162.284 where: short stacking energy: -522.022 Base-Backbone interact. energy: -4.090 local terms energy: -603.197192 where: bonds (distance) C4'-P energy: -125.857 bonds (distance) P-C4' energy: -116.345 flat angles C4'-P-C4' energy: -151.711 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -125.904 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: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1338.676203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.676203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.676203 (E_RNA) where: Base-Base interactions energy: -791.671 where: short stacking energy: -361.691 Base-Backbone interact. energy: -1.403 local terms energy: -545.602582 where: bonds (distance) C4'-P energy: -129.231 bonds (distance) P-C4' energy: -132.164 flat angles C4'-P-C4' energy: -145.258 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: -65.827 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: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -938.841373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.841373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.841373 (E_RNA) where: Base-Base interactions energy: -524.244 where: short stacking energy: -305.722 Base-Backbone interact. energy: -0.896 local terms energy: -413.701650 where: bonds (distance) C4'-P energy: -113.273 bonds (distance) P-C4' energy: -106.184 flat angles C4'-P-C4' energy: -118.737 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -12.217 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: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -608.595497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.595497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.595497 (E_RNA) where: Base-Base interactions energy: -211.442 where: short stacking energy: -173.187 Base-Backbone interact. energy: -0.232 local terms energy: -396.921019 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -133.370 flat angles C4'-P-C4' energy: -102.583 flat angles P-C4'-P energy: -52.712 tors. eta vs tors. theta energy: 0.351 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2603.057690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.057690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.057690 (E_RNA) where: Base-Base interactions energy: -1836.930 where: short stacking energy: -750.747 Base-Backbone interact. energy: -1.570 local terms energy: -764.557805 where: bonds (distance) C4'-P energy: -140.911 bonds (distance) P-C4' energy: -151.105 flat angles C4'-P-C4' energy: -171.035 flat angles P-C4'-P energy: -94.433 tors. eta vs tors. theta energy: -207.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2560.606641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.606641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.606641 (E_RNA) where: Base-Base interactions energy: -1783.324 where: short stacking energy: -763.498 Base-Backbone interact. energy: -3.251 local terms energy: -774.032304 where: bonds (distance) C4'-P energy: -120.564 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -165.456 flat angles P-C4'-P energy: -115.252 tors. eta vs tors. theta energy: -219.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2356.832511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.832511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.832511 (E_RNA) where: Base-Base interactions energy: -1578.699 where: short stacking energy: -721.648 Base-Backbone interact. energy: -1.458 local terms energy: -776.675798 where: bonds (distance) C4'-P energy: -124.358 bonds (distance) P-C4' energy: -158.219 flat angles C4'-P-C4' energy: -173.201 flat angles P-C4'-P energy: -109.745 tors. eta vs tors. theta energy: -211.152 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: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2267.134118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.134118 (E_RNA) where: Base-Base interactions energy: -1539.596 where: short stacking energy: -634.350 Base-Backbone interact. energy: -4.395 local terms energy: -723.142951 where: bonds (distance) C4'-P energy: -124.190 bonds (distance) P-C4' energy: -148.669 flat angles C4'-P-C4' energy: -153.405 flat angles P-C4'-P energy: -110.442 tors. eta vs tors. theta energy: -186.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2178.301731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.301731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.301731 (E_RNA) where: Base-Base interactions energy: -1488.566 where: short stacking energy: -644.155 Base-Backbone interact. energy: -2.993 local terms energy: -686.742850 where: bonds (distance) C4'-P energy: -137.383 bonds (distance) P-C4' energy: -119.538 flat angles C4'-P-C4' energy: -144.158 flat angles P-C4'-P energy: -107.655 tors. eta vs tors. theta energy: -178.009 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: 6, replica: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2000.765594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.765594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.765594 (E_RNA) where: Base-Base interactions energy: -1339.876 where: short stacking energy: -580.616 Base-Backbone interact. energy: -1.382 local terms energy: -659.507119 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -117.863 flat angles C4'-P-C4' energy: -121.139 flat angles P-C4'-P energy: -118.502 tors. eta vs tors. theta energy: -153.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1751.683924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.683924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.683924 (E_RNA) where: Base-Base interactions energy: -1148.749 where: short stacking energy: -518.110 Base-Backbone interact. energy: -1.684 local terms energy: -601.250206 where: bonds (distance) C4'-P energy: -123.845 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -127.279 flat angles P-C4'-P energy: -83.266 tors. eta vs tors. theta energy: -122.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1356.470976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.470976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.470976 (E_RNA) where: Base-Base interactions energy: -810.653 where: short stacking energy: -389.853 Base-Backbone interact. energy: -3.552 local terms energy: -542.265352 where: bonds (distance) C4'-P energy: -133.263 bonds (distance) P-C4' energy: -129.399 flat angles C4'-P-C4' energy: -123.458 flat angles P-C4'-P energy: -66.103 tors. eta vs tors. theta energy: -90.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -903.560533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.560533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.560533 (E_RNA) where: Base-Base interactions energy: -473.815 where: short stacking energy: -257.732 Base-Backbone interact. energy: -1.069 local terms energy: -428.676410 where: bonds (distance) C4'-P energy: -104.555 bonds (distance) P-C4' energy: -132.605 flat angles C4'-P-C4' energy: -133.017 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -572.436385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.436385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.436385 (E_RNA) where: Base-Base interactions energy: -190.442 where: short stacking energy: -169.066 Base-Backbone interact. energy: 1.479 local terms energy: -383.473072 where: bonds (distance) C4'-P energy: -135.760 bonds (distance) P-C4' energy: -109.945 flat angles C4'-P-C4' energy: -117.009 flat angles P-C4'-P energy: -54.876 tors. eta vs tors. theta energy: 34.117 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: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2645.914061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.914061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.914061 (E_RNA) where: Base-Base interactions energy: -1868.122 where: short stacking energy: -755.936 Base-Backbone interact. energy: -1.538 local terms energy: -776.254040 where: bonds (distance) C4'-P energy: -147.100 bonds (distance) P-C4' energy: -146.583 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -111.094 tors. eta vs tors. theta energy: -213.307 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: 168 Temperature: 0.950000 Total energy: -2551.346625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.346625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.346625 (E_RNA) where: Base-Base interactions energy: -1784.024 where: short stacking energy: -740.934 Base-Backbone interact. energy: -4.406 local terms energy: -762.916865 where: bonds (distance) C4'-P energy: -147.789 bonds (distance) P-C4' energy: -151.355 flat angles C4'-P-C4' energy: -152.738 flat angles P-C4'-P energy: -110.653 tors. eta vs tors. theta energy: -200.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2373.742733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.742733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.742733 (E_RNA) where: Base-Base interactions energy: -1591.520 where: short stacking energy: -706.311 Base-Backbone interact. energy: 2.585 local terms energy: -784.806881 where: bonds (distance) C4'-P energy: -149.613 bonds (distance) P-C4' energy: -147.387 flat angles C4'-P-C4' energy: -167.569 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -200.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2243.086998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.086998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.086998 (E_RNA) where: Base-Base interactions energy: -1548.864 where: short stacking energy: -668.632 Base-Backbone interact. energy: -2.273 local terms energy: -691.949991 where: bonds (distance) C4'-P energy: -129.882 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -149.510 flat angles P-C4'-P energy: -98.176 tors. eta vs tors. theta energy: -184.866 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: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2164.364511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.364511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.364511 (E_RNA) where: Base-Base interactions energy: -1479.899 where: short stacking energy: -622.633 Base-Backbone interact. energy: -3.795 local terms energy: -680.669975 where: bonds (distance) C4'-P energy: -132.677 bonds (distance) P-C4' energy: -136.003 flat angles C4'-P-C4' energy: -148.710 flat angles P-C4'-P energy: -93.967 tors. eta vs tors. theta energy: -169.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2007.086910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.086910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.086910 (E_RNA) where: Base-Base interactions energy: -1329.439 where: short stacking energy: -594.418 Base-Backbone interact. energy: 0.783 local terms energy: -678.431236 where: bonds (distance) C4'-P energy: -138.057 bonds (distance) P-C4' energy: -141.405 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -98.015 tors. eta vs tors. theta energy: -165.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1705.251164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.251164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.251164 (E_RNA) where: Base-Base interactions energy: -1131.525 where: short stacking energy: -515.651 Base-Backbone interact. energy: -2.807 local terms energy: -570.919410 where: bonds (distance) C4'-P energy: -120.764 bonds (distance) P-C4' energy: -137.872 flat angles C4'-P-C4' energy: -112.771 flat angles P-C4'-P energy: -79.587 tors. eta vs tors. theta energy: -119.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1385.277209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.277209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.277209 (E_RNA) where: Base-Base interactions energy: -867.745 where: short stacking energy: -413.656 Base-Backbone interact. energy: 1.320 local terms energy: -518.852319 where: bonds (distance) C4'-P energy: -107.105 bonds (distance) P-C4' energy: -122.602 flat angles C4'-P-C4' energy: -135.938 flat angles P-C4'-P energy: -53.249 tors. eta vs tors. theta energy: -99.959 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: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -888.877259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.877259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.877259 (E_RNA) where: Base-Base interactions energy: -458.908 where: short stacking energy: -240.402 Base-Backbone interact. energy: 8.829 local terms energy: -438.797977 where: bonds (distance) C4'-P energy: -130.324 bonds (distance) P-C4' energy: -132.631 flat angles C4'-P-C4' energy: -98.179 flat angles P-C4'-P energy: -72.464 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -594.882332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.882332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.882332 (E_RNA) where: Base-Base interactions energy: -213.811 where: short stacking energy: -177.191 Base-Backbone interact. energy: 2.371 local terms energy: -383.441902 where: bonds (distance) C4'-P energy: -118.646 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: 29.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2638.446527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.446527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.446527 (E_RNA) where: Base-Base interactions energy: -1876.629 where: short stacking energy: -764.488 Base-Backbone interact. energy: 2.058 local terms energy: -763.875858 where: bonds (distance) C4'-P energy: -145.797 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -152.216 flat angles P-C4'-P energy: -105.914 tors. eta vs tors. theta energy: -214.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2562.263351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.263351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.263351 (E_RNA) where: Base-Base interactions energy: -1764.556 where: short stacking energy: -763.259 Base-Backbone interact. energy: -3.203 local terms energy: -794.504814 where: bonds (distance) C4'-P energy: -154.289 bonds (distance) P-C4' energy: -145.542 flat angles C4'-P-C4' energy: -158.552 flat angles P-C4'-P energy: -115.927 tors. eta vs tors. theta energy: -220.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2357.405315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.405315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.405315 (E_RNA) where: Base-Base interactions energy: -1597.758 where: short stacking energy: -731.487 Base-Backbone interact. energy: -2.061 local terms energy: -757.586953 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -132.248 flat angles C4'-P-C4' energy: -152.870 flat angles P-C4'-P energy: -107.868 tors. eta vs tors. theta energy: -233.448 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: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2243.899943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.899943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.899943 (E_RNA) where: Base-Base interactions energy: -1572.068 where: short stacking energy: -637.233 Base-Backbone interact. energy: 0.270 local terms energy: -672.101514 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -145.912 flat angles C4'-P-C4' energy: -147.641 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -168.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2149.073950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.073950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.073950 (E_RNA) where: Base-Base interactions energy: -1487.942 where: short stacking energy: -595.228 Base-Backbone interact. energy: -5.124 local terms energy: -656.008070 where: bonds (distance) C4'-P energy: -133.084 bonds (distance) P-C4' energy: -129.442 flat angles C4'-P-C4' energy: -148.609 flat angles P-C4'-P energy: -91.709 tors. eta vs tors. theta energy: -153.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1979.800155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.800155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.800155 (E_RNA) where: Base-Base interactions energy: -1307.163 where: short stacking energy: -589.641 Base-Backbone interact. energy: -4.368 local terms energy: -668.269081 where: bonds (distance) C4'-P energy: -128.435 bonds (distance) P-C4' energy: -138.892 flat angles C4'-P-C4' energy: -148.592 flat angles P-C4'-P energy: -98.227 tors. eta vs tors. theta energy: -154.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1701.613462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.613462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.613462 (E_RNA) where: Base-Base interactions energy: -1122.341 where: short stacking energy: -515.406 Base-Backbone interact. energy: -2.859 local terms energy: -576.413366 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -131.943 flat angles C4'-P-C4' energy: -141.189 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -123.509 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: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1374.663071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.663071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.663071 (E_RNA) where: Base-Base interactions energy: -880.574 where: short stacking energy: -426.660 Base-Backbone interact. energy: -1.131 local terms energy: -492.958219 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -72.847 tors. eta vs tors. theta energy: -74.077 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: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -886.319870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.319870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.319870 (E_RNA) where: Base-Base interactions energy: -471.537 where: short stacking energy: -256.158 Base-Backbone interact. energy: 5.377 local terms energy: -420.159656 where: bonds (distance) C4'-P energy: -126.768 bonds (distance) P-C4' energy: -120.428 flat angles C4'-P-C4' energy: -111.768 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: 4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -574.677550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.677550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.677550 (E_RNA) where: Base-Base interactions energy: -214.289 where: short stacking energy: -141.739 Base-Backbone interact. energy: 4.245 local terms energy: -364.633758 where: bonds (distance) C4'-P energy: -140.156 bonds (distance) P-C4' energy: -112.571 flat angles C4'-P-C4' energy: -88.986 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: 34.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2607.406314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.406314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.406314 (E_RNA) where: Base-Base interactions energy: -1831.263 where: short stacking energy: -745.138 Base-Backbone interact. energy: -0.519 local terms energy: -775.624323 where: bonds (distance) C4'-P energy: -158.571 bonds (distance) P-C4' energy: -144.238 flat angles C4'-P-C4' energy: -157.454 flat angles P-C4'-P energy: -109.947 tors. eta vs tors. theta energy: -205.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2585.967848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.967848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.967848 (E_RNA) where: Base-Base interactions energy: -1791.065 where: short stacking energy: -770.270 Base-Backbone interact. energy: -1.943 local terms energy: -792.959492 where: bonds (distance) C4'-P energy: -143.809 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -169.463 flat angles P-C4'-P energy: -109.881 tors. eta vs tors. theta energy: -219.850 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: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2363.081549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.081549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.081549 (E_RNA) where: Base-Base interactions energy: -1598.376 where: short stacking energy: -715.251 Base-Backbone interact. energy: 0.240 local terms energy: -764.946283 where: bonds (distance) C4'-P energy: -134.912 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -171.462 flat angles P-C4'-P energy: -111.964 tors. eta vs tors. theta energy: -207.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2239.173243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.173243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.173243 (E_RNA) where: Base-Base interactions energy: -1561.783 where: short stacking energy: -666.683 Base-Backbone interact. energy: -4.729 local terms energy: -672.660346 where: bonds (distance) C4'-P energy: -125.225 bonds (distance) P-C4' energy: -123.139 flat angles C4'-P-C4' energy: -145.410 flat angles P-C4'-P energy: -88.530 tors. eta vs tors. theta energy: -190.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2202.206398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.206398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.206398 (E_RNA) where: Base-Base interactions energy: -1481.704 where: short stacking energy: -635.768 Base-Backbone interact. energy: -0.315 local terms energy: -720.187550 where: bonds (distance) C4'-P energy: -130.407 bonds (distance) P-C4' energy: -153.275 flat angles C4'-P-C4' energy: -153.124 flat angles P-C4'-P energy: -107.925 tors. eta vs tors. theta energy: -175.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2009.741353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.741353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.741353 (E_RNA) where: Base-Base interactions energy: -1355.447 where: short stacking energy: -601.715 Base-Backbone interact. energy: -0.409 local terms energy: -653.885714 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -142.396 flat angles P-C4'-P energy: -92.238 tors. eta vs tors. theta energy: -171.588 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: 170 Temperature: 1.200000 Total energy: -1723.327401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.327401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.327401 (E_RNA) where: Base-Base interactions energy: -1125.937 where: short stacking energy: -493.932 Base-Backbone interact. energy: 1.816 local terms energy: -599.206068 where: bonds (distance) C4'-P energy: -112.841 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -142.036 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -125.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1340.540453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.540453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.540453 (E_RNA) where: Base-Base interactions energy: -820.634 where: short stacking energy: -385.331 Base-Backbone interact. energy: -2.022 local terms energy: -517.884211 where: bonds (distance) C4'-P energy: -124.760 bonds (distance) P-C4' energy: -127.510 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -77.958 tors. eta vs tors. theta energy: -59.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -951.674322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.674322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.674322 (E_RNA) where: Base-Base interactions energy: -521.779 where: short stacking energy: -253.842 Base-Backbone interact. energy: -0.647 local terms energy: -429.248582 where: bonds (distance) C4'-P energy: -102.609 bonds (distance) P-C4' energy: -124.883 flat angles C4'-P-C4' energy: -118.076 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -5.011 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: 170 Temperature: 1.350000 Total energy: -582.153826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.153826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.153826 (E_RNA) where: Base-Base interactions energy: -231.157 where: short stacking energy: -188.333 Base-Backbone interact. energy: 6.688 local terms energy: -357.684595 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -74.177 flat angles P-C4'-P energy: -66.369 tors. eta vs tors. theta energy: 33.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2620.310657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.310657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.310657 (E_RNA) where: Base-Base interactions energy: -1860.965 where: short stacking energy: -756.475 Base-Backbone interact. energy: 1.484 local terms energy: -760.830172 where: bonds (distance) C4'-P energy: -137.850 bonds (distance) P-C4' energy: -139.023 flat angles C4'-P-C4' energy: -164.857 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -204.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2580.199547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.199547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.199547 (E_RNA) where: Base-Base interactions energy: -1795.979 where: short stacking energy: -741.524 Base-Backbone interact. energy: 5.816 local terms energy: -790.036849 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -142.188 flat angles C4'-P-C4' energy: -168.525 flat angles P-C4'-P energy: -115.973 tors. eta vs tors. theta energy: -219.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2355.532362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.532362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.532362 (E_RNA) where: Base-Base interactions energy: -1594.170 where: short stacking energy: -728.382 Base-Backbone interact. energy: -2.173 local terms energy: -759.189590 where: bonds (distance) C4'-P energy: -131.360 bonds (distance) P-C4' energy: -154.932 flat angles C4'-P-C4' energy: -149.241 flat angles P-C4'-P energy: -113.541 tors. eta vs tors. theta energy: -210.116 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: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2225.638005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.638005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.638005 (E_RNA) where: Base-Base interactions energy: -1541.867 where: short stacking energy: -655.526 Base-Backbone interact. energy: -0.518 local terms energy: -683.252467 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -88.708 tors. eta vs tors. theta energy: -185.059 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: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2207.933412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.933412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.933412 (E_RNA) where: Base-Base interactions energy: -1517.103 where: short stacking energy: -609.762 Base-Backbone interact. energy: -1.533 local terms energy: -689.296717 where: bonds (distance) C4'-P energy: -142.912 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -140.841 flat angles P-C4'-P energy: -94.465 tors. eta vs tors. theta energy: -170.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2015.877194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.877194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.877194 (E_RNA) where: Base-Base interactions energy: -1358.793 where: short stacking energy: -586.421 Base-Backbone interact. energy: 0.226 local terms energy: -657.310151 where: bonds (distance) C4'-P energy: -123.417 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -147.203 flat angles P-C4'-P energy: -90.410 tors. eta vs tors. theta energy: -160.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1725.173794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.173794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.173794 (E_RNA) where: Base-Base interactions energy: -1117.844 where: short stacking energy: -510.412 Base-Backbone interact. energy: -3.710 local terms energy: -603.619696 where: bonds (distance) C4'-P energy: -99.314 bonds (distance) P-C4' energy: -138.241 flat angles C4'-P-C4' energy: -149.806 flat angles P-C4'-P energy: -100.028 tors. eta vs tors. theta energy: -116.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1301.903273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.903273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.903273 (E_RNA) where: Base-Base interactions energy: -787.700 where: short stacking energy: -369.522 Base-Backbone interact. energy: -0.179 local terms energy: -514.024478 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -123.851 flat angles C4'-P-C4' energy: -111.348 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -64.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1009.321272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.321272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.321272 (E_RNA) where: Base-Base interactions energy: -560.873 where: short stacking energy: -282.284 Base-Backbone interact. energy: -0.970 local terms energy: -447.478593 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -123.129 flat angles C4'-P-C4' energy: -111.286 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -32.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -595.299090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.299090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.299090 (E_RNA) where: Base-Base interactions energy: -231.642 where: short stacking energy: -187.120 Base-Backbone interact. energy: 6.989 local terms energy: -370.645958 where: bonds (distance) C4'-P energy: -110.656 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -105.435 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: 31.603 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: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2656.126444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.126444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.126444 (E_RNA) where: Base-Base interactions energy: -1880.507 where: short stacking energy: -759.213 Base-Backbone interact. energy: 0.721 local terms energy: -776.339998 where: bonds (distance) C4'-P energy: -152.335 bonds (distance) P-C4' energy: -151.113 flat angles C4'-P-C4' energy: -162.425 flat angles P-C4'-P energy: -105.405 tors. eta vs tors. theta energy: -205.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2556.828804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.828804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.828804 (E_RNA) where: Base-Base interactions energy: -1779.143 where: short stacking energy: -744.301 Base-Backbone interact. energy: -1.216 local terms energy: -776.469459 where: bonds (distance) C4'-P energy: -132.883 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -166.561 flat angles P-C4'-P energy: -108.666 tors. eta vs tors. theta energy: -212.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2346.635580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.635580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.635580 (E_RNA) where: Base-Base interactions energy: -1599.527 where: short stacking energy: -699.385 Base-Backbone interact. energy: -2.292 local terms energy: -744.816726 where: bonds (distance) C4'-P energy: -138.567 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -170.170 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -202.551 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: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2234.362841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.362841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.362841 (E_RNA) where: Base-Base interactions energy: -1542.842 where: short stacking energy: -653.294 Base-Backbone interact. energy: -2.709 local terms energy: -688.811885 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -124.292 flat angles C4'-P-C4' energy: -161.820 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -176.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2150.871864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.871864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.871864 (E_RNA) where: Base-Base interactions energy: -1493.042 where: short stacking energy: -607.065 Base-Backbone interact. energy: -4.232 local terms energy: -653.597696 where: bonds (distance) C4'-P energy: -133.472 bonds (distance) P-C4' energy: -139.617 flat angles C4'-P-C4' energy: -137.200 flat angles P-C4'-P energy: -77.490 tors. eta vs tors. theta energy: -165.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2019.699932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.699932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.699932 (E_RNA) where: Base-Base interactions energy: -1343.584 where: short stacking energy: -584.021 Base-Backbone interact. energy: -5.234 local terms energy: -670.881781 where: bonds (distance) C4'-P energy: -143.496 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -140.990 flat angles P-C4'-P energy: -93.352 tors. eta vs tors. theta energy: -160.026 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: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1742.590515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.590515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.590515 (E_RNA) where: Base-Base interactions energy: -1145.101 where: short stacking energy: -491.358 Base-Backbone interact. energy: -3.022 local terms energy: -594.467819 where: bonds (distance) C4'-P energy: -126.477 bonds (distance) P-C4' energy: -119.822 flat angles C4'-P-C4' energy: -132.409 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -126.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1327.615090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.615090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.615090 (E_RNA) where: Base-Base interactions energy: -807.975 where: short stacking energy: -392.552 Base-Backbone interact. energy: 1.130 local terms energy: -520.770123 where: bonds (distance) C4'-P energy: -101.781 bonds (distance) P-C4' energy: -155.096 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -66.955 tors. eta vs tors. theta energy: -70.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -968.228496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.228496 (E_RNA) where: Base-Base interactions energy: -547.524 where: short stacking energy: -278.285 Base-Backbone interact. energy: 0.998 local terms energy: -421.703302 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -130.086 flat angles C4'-P-C4' energy: -117.869 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -638.760804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.760804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.760804 (E_RNA) where: Base-Base interactions energy: -240.534 where: short stacking energy: -182.544 Base-Backbone interact. energy: -1.475 local terms energy: -396.751455 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -115.340 flat angles C4'-P-C4' energy: -110.235 flat angles P-C4'-P energy: -79.625 tors. eta vs tors. theta energy: 27.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2630.195551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.195551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.195551 (E_RNA) where: Base-Base interactions energy: -1845.624 where: short stacking energy: -753.347 Base-Backbone interact. energy: -0.742 local terms energy: -783.829440 where: bonds (distance) C4'-P energy: -149.569 bonds (distance) P-C4' energy: -151.107 flat angles C4'-P-C4' energy: -167.404 flat angles P-C4'-P energy: -104.005 tors. eta vs tors. theta energy: -211.745 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: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2549.611657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.611657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.611657 (E_RNA) where: Base-Base interactions energy: -1766.388 where: short stacking energy: -736.326 Base-Backbone interact. energy: -1.071 local terms energy: -782.152521 where: bonds (distance) C4'-P energy: -143.028 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -168.427 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -211.785 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: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2350.994913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.994913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.994913 (E_RNA) where: Base-Base interactions energy: -1575.078 where: short stacking energy: -703.951 Base-Backbone interact. energy: -2.672 local terms energy: -773.245032 where: bonds (distance) C4'-P energy: -135.680 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -111.624 tors. eta vs tors. theta energy: -221.139 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: 173 Temperature: 1.050000 Total energy: -2306.532537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.532537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.532537 (E_RNA) where: Base-Base interactions energy: -1607.413 where: short stacking energy: -645.645 Base-Backbone interact. energy: -2.822 local terms energy: -696.297589 where: bonds (distance) C4'-P energy: -128.253 bonds (distance) P-C4' energy: -137.545 flat angles C4'-P-C4' energy: -161.541 flat angles P-C4'-P energy: -88.467 tors. eta vs tors. theta energy: -180.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2133.635824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.635824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.635824 (E_RNA) where: Base-Base interactions energy: -1463.934 where: short stacking energy: -615.262 Base-Backbone interact. energy: -0.059 local terms energy: -669.643169 where: bonds (distance) C4'-P energy: -129.713 bonds (distance) P-C4' energy: -132.445 flat angles C4'-P-C4' energy: -154.308 flat angles P-C4'-P energy: -87.664 tors. eta vs tors. theta energy: -165.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2057.822387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.822387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.822387 (E_RNA) where: Base-Base interactions energy: -1411.900 where: short stacking energy: -624.916 Base-Backbone interact. energy: 0.056 local terms energy: -645.978986 where: bonds (distance) C4'-P energy: -126.333 bonds (distance) P-C4' energy: -127.571 flat angles C4'-P-C4' energy: -127.797 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -183.594 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: 173 Temperature: 1.200000 Total energy: -1700.798575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.798575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.798575 (E_RNA) where: Base-Base interactions energy: -1121.981 where: short stacking energy: -497.796 Base-Backbone interact. energy: -1.984 local terms energy: -576.833048 where: bonds (distance) C4'-P energy: -119.758 bonds (distance) P-C4' energy: -120.854 flat angles C4'-P-C4' energy: -133.485 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -119.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1326.411154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.411154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.411154 (E_RNA) where: Base-Base interactions energy: -790.130 where: short stacking energy: -399.654 Base-Backbone interact. energy: -0.072 local terms energy: -536.209198 where: bonds (distance) C4'-P energy: -103.724 bonds (distance) P-C4' energy: -142.405 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -81.868 tors. eta vs tors. theta energy: -83.873 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: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -951.838027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.838027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.838027 (E_RNA) where: Base-Base interactions energy: -537.514 where: short stacking energy: -263.881 Base-Backbone interact. energy: 2.620 local terms energy: -416.944009 where: bonds (distance) C4'-P energy: -103.074 bonds (distance) P-C4' energy: -117.454 flat angles C4'-P-C4' energy: -101.280 flat angles P-C4'-P energy: -83.270 tors. eta vs tors. theta energy: -11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -644.856215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.856215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.856215 (E_RNA) where: Base-Base interactions energy: -293.517 where: short stacking energy: -183.028 Base-Backbone interact. energy: 3.192 local terms energy: -354.530558 where: bonds (distance) C4'-P energy: -105.853 bonds (distance) P-C4' energy: -124.743 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -36.359 tors. eta vs tors. theta energy: 38.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2652.467134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.467134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.467134 (E_RNA) where: Base-Base interactions energy: -1875.992 where: short stacking energy: -773.310 Base-Backbone interact. energy: -4.168 local terms energy: -772.307673 where: bonds (distance) C4'-P energy: -151.304 bonds (distance) P-C4' energy: -144.410 flat angles C4'-P-C4' energy: -163.579 flat angles P-C4'-P energy: -104.679 tors. eta vs tors. theta energy: -208.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2564.933324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.933324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.933324 (E_RNA) where: Base-Base interactions energy: -1785.335 where: short stacking energy: -747.860 Base-Backbone interact. energy: -3.747 local terms energy: -775.851516 where: bonds (distance) C4'-P energy: -137.683 bonds (distance) P-C4' energy: -138.026 flat angles C4'-P-C4' energy: -171.402 flat angles P-C4'-P energy: -112.354 tors. eta vs tors. theta energy: -216.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2347.003531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.003531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.003531 (E_RNA) where: Base-Base interactions energy: -1604.177 where: short stacking energy: -742.621 Base-Backbone interact. energy: -5.166 local terms energy: -737.660051 where: bonds (distance) C4'-P energy: -120.389 bonds (distance) P-C4' energy: -138.402 flat angles C4'-P-C4' energy: -165.404 flat angles P-C4'-P energy: -99.900 tors. eta vs tors. theta energy: -213.565 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: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2296.871066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.871066 (E_RNA) where: Base-Base interactions energy: -1578.564 where: short stacking energy: -653.072 Base-Backbone interact. energy: -4.973 local terms energy: -713.334374 where: bonds (distance) C4'-P energy: -146.635 bonds (distance) P-C4' energy: -138.132 flat angles C4'-P-C4' energy: -140.773 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -183.416 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: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2089.429489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.429489 (E_RNA) where: Base-Base interactions energy: -1424.440 where: short stacking energy: -618.817 Base-Backbone interact. energy: -1.647 local terms energy: -663.342637 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -143.188 flat angles C4'-P-C4' energy: -136.364 flat angles P-C4'-P energy: -95.907 tors. eta vs tors. theta energy: -163.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2015.541208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.541208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.541208 (E_RNA) where: Base-Base interactions energy: -1371.362 where: short stacking energy: -579.737 Base-Backbone interact. energy: -1.506 local terms energy: -642.674013 where: bonds (distance) C4'-P energy: -118.107 bonds (distance) P-C4' energy: -127.445 flat angles C4'-P-C4' energy: -131.541 flat angles P-C4'-P energy: -103.346 tors. eta vs tors. theta energy: -162.235 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: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1703.041978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.041978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.041978 (E_RNA) where: Base-Base interactions energy: -1153.168 where: short stacking energy: -514.157 Base-Backbone interact. energy: 5.291 local terms energy: -555.165234 where: bonds (distance) C4'-P energy: -109.124 bonds (distance) P-C4' energy: -115.576 flat angles C4'-P-C4' energy: -129.361 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -111.424 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: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1375.961900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.961900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.961900 (E_RNA) where: Base-Base interactions energy: -830.955 where: short stacking energy: -408.809 Base-Backbone interact. energy: -1.345 local terms energy: -543.661274 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -128.776 flat angles C4'-P-C4' energy: -122.889 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -82.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -989.626237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.626237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.626237 (E_RNA) where: Base-Base interactions energy: -610.532 where: short stacking energy: -293.876 Base-Backbone interact. energy: 1.699 local terms energy: -380.793866 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -112.506 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -61.340 tors. eta vs tors. theta energy: -11.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -652.084561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.084561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.084561 (E_RNA) where: Base-Base interactions energy: -260.971 where: short stacking energy: -178.525 Base-Backbone interact. energy: -0.690 local terms energy: -390.423770 where: bonds (distance) C4'-P energy: -110.640 bonds (distance) P-C4' energy: -121.179 flat angles C4'-P-C4' energy: -115.802 flat angles P-C4'-P energy: -64.864 tors. eta vs tors. theta energy: 22.061 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: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2641.218116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.218116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.218116 (E_RNA) where: Base-Base interactions energy: -1872.288 where: short stacking energy: -759.194 Base-Backbone interact. energy: -1.853 local terms energy: -767.077110 where: bonds (distance) C4'-P energy: -146.553 bonds (distance) P-C4' energy: -151.007 flat angles C4'-P-C4' energy: -154.520 flat angles P-C4'-P energy: -108.112 tors. eta vs tors. theta energy: -206.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2592.455454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.455454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.455454 (E_RNA) where: Base-Base interactions energy: -1804.033 where: short stacking energy: -746.461 Base-Backbone interact. energy: -2.669 local terms energy: -785.753886 where: bonds (distance) C4'-P energy: -130.446 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -167.302 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -218.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2322.289941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.289941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.289941 (E_RNA) where: Base-Base interactions energy: -1566.992 where: short stacking energy: -714.152 Base-Backbone interact. energy: -5.464 local terms energy: -749.834178 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -138.845 flat angles C4'-P-C4' energy: -160.724 flat angles P-C4'-P energy: -107.491 tors. eta vs tors. theta energy: -209.895 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: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2254.615485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.615485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.615485 (E_RNA) where: Base-Base interactions energy: -1555.009 where: short stacking energy: -635.183 Base-Backbone interact. energy: 1.631 local terms energy: -701.237999 where: bonds (distance) C4'-P energy: -129.876 bonds (distance) P-C4' energy: -133.230 flat angles C4'-P-C4' energy: -144.084 flat angles P-C4'-P energy: -108.255 tors. eta vs tors. theta energy: -185.793 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: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2128.187970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.187970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.187970 (E_RNA) where: Base-Base interactions energy: -1458.809 where: short stacking energy: -634.900 Base-Backbone interact. energy: 2.721 local terms energy: -672.100248 where: bonds (distance) C4'-P energy: -123.808 bonds (distance) P-C4' energy: -133.165 flat angles C4'-P-C4' energy: -148.897 flat angles P-C4'-P energy: -95.544 tors. eta vs tors. theta energy: -170.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2000.038652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.038652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.038652 (E_RNA) where: Base-Base interactions energy: -1337.559 where: short stacking energy: -612.424 Base-Backbone interact. energy: -1.704 local terms energy: -660.776148 where: bonds (distance) C4'-P energy: -116.085 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -145.529 flat angles P-C4'-P energy: -90.878 tors. eta vs tors. theta energy: -170.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1612.323781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.323781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.323781 (E_RNA) where: Base-Base interactions energy: -1063.534 where: short stacking energy: -482.240 Base-Backbone interact. energy: -2.392 local terms energy: -546.398757 where: bonds (distance) C4'-P energy: -121.276 bonds (distance) P-C4' energy: -99.298 flat angles C4'-P-C4' energy: -136.153 flat angles P-C4'-P energy: -80.865 tors. eta vs tors. theta energy: -108.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1326.354611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.354611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.354611 (E_RNA) where: Base-Base interactions energy: -817.143 where: short stacking energy: -389.676 Base-Backbone interact. energy: -4.542 local terms energy: -504.669631 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -101.477 flat angles C4'-P-C4' energy: -117.773 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -90.546 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: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -946.868371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.868371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.868371 (E_RNA) where: Base-Base interactions energy: -517.558 where: short stacking energy: -272.696 Base-Backbone interact. energy: -3.531 local terms energy: -425.779577 where: bonds (distance) C4'-P energy: -131.724 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -42.989 tors. eta vs tors. theta energy: -13.346 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: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -612.194540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.194540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.194540 (E_RNA) where: Base-Base interactions energy: -231.251 where: short stacking energy: -163.157 Base-Backbone interact. energy: 5.457 local terms energy: -386.400514 where: bonds (distance) C4'-P energy: -125.658 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -54.906 tors. eta vs tors. theta energy: 23.303 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: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2628.177790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.177790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.177790 (E_RNA) where: Base-Base interactions energy: -1854.182 where: short stacking energy: -740.143 Base-Backbone interact. energy: 0.909 local terms energy: -774.905160 where: bonds (distance) C4'-P energy: -120.800 bonds (distance) P-C4' energy: -165.672 flat angles C4'-P-C4' energy: -173.907 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -210.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2556.222631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.222631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.222631 (E_RNA) where: Base-Base interactions energy: -1772.363 where: short stacking energy: -748.805 Base-Backbone interact. energy: -1.836 local terms energy: -782.024163 where: bonds (distance) C4'-P energy: -130.882 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -153.369 flat angles P-C4'-P energy: -122.185 tors. eta vs tors. theta energy: -221.607 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: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2359.296586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.296586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.296586 (E_RNA) where: Base-Base interactions energy: -1582.688 where: short stacking energy: -706.193 Base-Backbone interact. energy: 2.811 local terms energy: -779.419366 where: bonds (distance) C4'-P energy: -137.691 bonds (distance) P-C4' energy: -157.551 flat angles C4'-P-C4' energy: -160.927 flat angles P-C4'-P energy: -116.570 tors. eta vs tors. theta energy: -206.680 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: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2261.151335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.151335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.151335 (E_RNA) where: Base-Base interactions energy: -1547.374 where: short stacking energy: -631.290 Base-Backbone interact. energy: 0.967 local terms energy: -714.744894 where: bonds (distance) C4'-P energy: -137.894 bonds (distance) P-C4' energy: -143.154 flat angles C4'-P-C4' energy: -152.053 flat angles P-C4'-P energy: -105.551 tors. eta vs tors. theta energy: -176.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2198.253193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.253193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.253193 (E_RNA) where: Base-Base interactions energy: -1511.707 where: short stacking energy: -607.563 Base-Backbone interact. energy: -3.269 local terms energy: -683.277026 where: bonds (distance) C4'-P energy: -139.976 bonds (distance) P-C4' energy: -130.106 flat angles C4'-P-C4' energy: -139.544 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -170.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1991.866482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.866482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.866482 (E_RNA) where: Base-Base interactions energy: -1367.011 where: short stacking energy: -613.935 Base-Backbone interact. energy: 4.324 local terms energy: -629.178775 where: bonds (distance) C4'-P energy: -113.459 bonds (distance) P-C4' energy: -97.257 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -97.249 tors. eta vs tors. theta energy: -169.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1726.062259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.062259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.062259 (E_RNA) where: Base-Base interactions energy: -1145.567 where: short stacking energy: -487.747 Base-Backbone interact. energy: -1.639 local terms energy: -578.855581 where: bonds (distance) C4'-P energy: -123.599 bonds (distance) P-C4' energy: -140.254 flat angles C4'-P-C4' energy: -125.536 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -110.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1328.395043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.395043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.395043 (E_RNA) where: Base-Base interactions energy: -821.503 where: short stacking energy: -395.332 Base-Backbone interact. energy: 4.089 local terms energy: -510.980558 where: bonds (distance) C4'-P energy: -134.024 bonds (distance) P-C4' energy: -126.125 flat angles C4'-P-C4' energy: -100.234 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -70.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -982.498340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.498340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.498340 (E_RNA) where: Base-Base interactions energy: -542.515 where: short stacking energy: -293.317 Base-Backbone interact. energy: 1.210 local terms energy: -441.193739 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -108.305 flat angles C4'-P-C4' energy: -100.977 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -49.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -617.472569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.472569 (E_RNA) where: Base-Base interactions energy: -255.772 where: short stacking energy: -175.217 Base-Backbone interact. energy: 4.615 local terms energy: -366.315732 where: bonds (distance) C4'-P energy: -108.015 bonds (distance) P-C4' energy: -114.914 flat angles C4'-P-C4' energy: -92.066 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: 6.850 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2638.896089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.896089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.896089 (E_RNA) where: Base-Base interactions energy: -1857.362 where: short stacking energy: -746.365 Base-Backbone interact. energy: 0.377 local terms energy: -781.911272 where: bonds (distance) C4'-P energy: -151.435 bonds (distance) P-C4' energy: -147.880 flat angles C4'-P-C4' energy: -165.276 flat angles P-C4'-P energy: -112.145 tors. eta vs tors. theta energy: -205.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2563.352339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.352339 (E_RNA) where: Base-Base interactions energy: -1763.945 where: short stacking energy: -725.733 Base-Backbone interact. energy: -4.992 local terms energy: -794.415807 where: bonds (distance) C4'-P energy: -154.839 bonds (distance) P-C4' energy: -157.158 flat angles C4'-P-C4' energy: -161.687 flat angles P-C4'-P energy: -109.386 tors. eta vs tors. theta energy: -211.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2361.537863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.537863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.537863 (E_RNA) where: Base-Base interactions energy: -1590.532 where: short stacking energy: -714.263 Base-Backbone interact. energy: -2.487 local terms energy: -768.519072 where: bonds (distance) C4'-P energy: -137.044 bonds (distance) P-C4' energy: -142.910 flat angles C4'-P-C4' energy: -162.816 flat angles P-C4'-P energy: -106.750 tors. eta vs tors. theta energy: -218.998 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: 177 Temperature: 1.050000 Total energy: -2244.432876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.432876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.432876 (E_RNA) where: Base-Base interactions energy: -1541.628 where: short stacking energy: -648.696 Base-Backbone interact. energy: 1.201 local terms energy: -704.005226 where: bonds (distance) C4'-P energy: -128.406 bonds (distance) P-C4' energy: -142.424 flat angles C4'-P-C4' energy: -150.758 flat angles P-C4'-P energy: -98.130 tors. eta vs tors. theta energy: -184.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2170.233536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.233536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.233536 (E_RNA) where: Base-Base interactions energy: -1477.894 where: short stacking energy: -623.665 Base-Backbone interact. energy: -3.728 local terms energy: -688.610776 where: bonds (distance) C4'-P energy: -134.011 bonds (distance) P-C4' energy: -132.347 flat angles C4'-P-C4' energy: -147.828 flat angles P-C4'-P energy: -112.868 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: 177 Temperature: 1.150000 Total energy: -2002.779850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.779850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.779850 (E_RNA) where: Base-Base interactions energy: -1316.424 where: short stacking energy: -563.891 Base-Backbone interact. energy: -2.168 local terms energy: -684.188766 where: bonds (distance) C4'-P energy: -140.466 bonds (distance) P-C4' energy: -127.385 flat angles C4'-P-C4' energy: -151.094 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -163.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1840.478787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.478787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.478787 (E_RNA) where: Base-Base interactions energy: -1229.123 where: short stacking energy: -540.014 Base-Backbone interact. energy: -1.870 local terms energy: -609.486441 where: bonds (distance) C4'-P energy: -127.010 bonds (distance) P-C4' energy: -142.871 flat angles C4'-P-C4' energy: -122.349 flat angles P-C4'-P energy: -89.399 tors. eta vs tors. theta energy: -127.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1281.584447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.584447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.584447 (E_RNA) where: Base-Base interactions energy: -768.212 where: short stacking energy: -379.522 Base-Backbone interact. energy: -1.853 local terms energy: -511.519575 where: bonds (distance) C4'-P energy: -120.000 bonds (distance) P-C4' energy: -122.957 flat angles C4'-P-C4' energy: -128.460 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: -66.704 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: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -944.850434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.850434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.850434 (E_RNA) where: Base-Base interactions energy: -522.612 where: short stacking energy: -278.264 Base-Backbone interact. energy: -2.893 local terms energy: -419.345044 where: bonds (distance) C4'-P energy: -122.378 bonds (distance) P-C4' energy: -113.046 flat angles C4'-P-C4' energy: -106.934 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -12.343 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: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -636.923041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.923041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.923041 (E_RNA) where: Base-Base interactions energy: -264.154 where: short stacking energy: -191.802 Base-Backbone interact. energy: 4.894 local terms energy: -377.662435 where: bonds (distance) C4'-P energy: -112.776 bonds (distance) P-C4' energy: -128.320 flat angles C4'-P-C4' energy: -101.866 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: 20.390 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2655.240415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.240415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.240415 (E_RNA) where: Base-Base interactions energy: -1855.012 where: short stacking energy: -754.331 Base-Backbone interact. energy: -3.129 local terms energy: -797.099396 where: bonds (distance) C4'-P energy: -147.876 bonds (distance) P-C4' energy: -155.581 flat angles C4'-P-C4' energy: -176.978 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -203.613 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: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2554.163872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.163872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.163872 (E_RNA) where: Base-Base interactions energy: -1776.338 where: short stacking energy: -727.971 Base-Backbone interact. energy: 1.187 local terms energy: -779.013219 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -146.190 flat angles C4'-P-C4' energy: -180.808 flat angles P-C4'-P energy: -110.162 tors. eta vs tors. theta energy: -198.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2327.031875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.031875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.031875 (E_RNA) where: Base-Base interactions energy: -1561.483 where: short stacking energy: -720.561 Base-Backbone interact. energy: 1.091 local terms energy: -766.639611 where: bonds (distance) C4'-P energy: -146.897 bonds (distance) P-C4' energy: -139.129 flat angles C4'-P-C4' energy: -159.968 flat angles P-C4'-P energy: -105.586 tors. eta vs tors. theta energy: -215.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2225.767841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.767841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.767841 (E_RNA) where: Base-Base interactions energy: -1530.145 where: short stacking energy: -645.460 Base-Backbone interact. energy: -1.563 local terms energy: -694.058914 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -94.975 tors. eta vs tors. theta energy: -186.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2185.884291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.884291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.884291 (E_RNA) where: Base-Base interactions energy: -1493.044 where: short stacking energy: -626.710 Base-Backbone interact. energy: -1.145 local terms energy: -691.695818 where: bonds (distance) C4'-P energy: -129.185 bonds (distance) P-C4' energy: -121.738 flat angles C4'-P-C4' energy: -150.899 flat angles P-C4'-P energy: -103.359 tors. eta vs tors. theta energy: -186.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1927.688557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.688557 (E_RNA) where: Base-Base interactions energy: -1256.804 where: short stacking energy: -565.411 Base-Backbone interact. energy: -2.289 local terms energy: -668.595812 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -147.268 flat angles P-C4'-P energy: -93.396 tors. eta vs tors. theta energy: -163.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1791.859229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.859229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.859229 (E_RNA) where: Base-Base interactions energy: -1226.145 where: short stacking energy: -532.873 Base-Backbone interact. energy: -0.397 local terms energy: -565.317430 where: bonds (distance) C4'-P energy: -108.283 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -116.135 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -120.877 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1282.496265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.496265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.496265 (E_RNA) where: Base-Base interactions energy: -784.064 where: short stacking energy: -389.584 Base-Backbone interact. energy: -3.695 local terms energy: -494.737253 where: bonds (distance) C4'-P energy: -111.652 bonds (distance) P-C4' energy: -129.859 flat angles C4'-P-C4' energy: -120.049 flat angles P-C4'-P energy: -61.001 tors. eta vs tors. theta energy: -72.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -857.072291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.072291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.072291 (E_RNA) where: Base-Base interactions energy: -422.347 where: short stacking energy: -242.497 Base-Backbone interact. energy: -3.726 local terms energy: -430.999533 where: bonds (distance) C4'-P energy: -108.800 bonds (distance) P-C4' energy: -141.801 flat angles C4'-P-C4' energy: -109.872 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -5.861 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: 178 Temperature: 1.350000 Total energy: -628.210339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.210339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.210339 (E_RNA) where: Base-Base interactions energy: -245.371 where: short stacking energy: -168.525 Base-Backbone interact. energy: 3.223 local terms energy: -386.062832 where: bonds (distance) C4'-P energy: -138.787 bonds (distance) P-C4' energy: -112.325 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: 33.278 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: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2609.305418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.305418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.305418 (E_RNA) where: Base-Base interactions energy: -1838.279 where: short stacking energy: -732.052 Base-Backbone interact. energy: -2.851 local terms energy: -768.175208 where: bonds (distance) C4'-P energy: -138.571 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -158.522 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -218.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2520.412693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.412693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.412693 (E_RNA) where: Base-Base interactions energy: -1757.062 where: short stacking energy: -732.146 Base-Backbone interact. energy: -2.318 local terms energy: -761.031856 where: bonds (distance) C4'-P energy: -140.683 bonds (distance) P-C4' energy: -149.844 flat angles C4'-P-C4' energy: -154.331 flat angles P-C4'-P energy: -110.826 tors. eta vs tors. theta energy: -205.348 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: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2357.651822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.651822 (E_RNA) where: Base-Base interactions energy: -1555.508 where: short stacking energy: -699.399 Base-Backbone interact. energy: -2.450 local terms energy: -799.693522 where: bonds (distance) C4'-P energy: -150.949 bonds (distance) P-C4' energy: -152.312 flat angles C4'-P-C4' energy: -157.329 flat angles P-C4'-P energy: -117.842 tors. eta vs tors. theta energy: -221.262 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: 179 Temperature: 1.050000 Total energy: -2330.130806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.130806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.130806 (E_RNA) where: Base-Base interactions energy: -1589.137 where: short stacking energy: -674.972 Base-Backbone interact. energy: -1.637 local terms energy: -739.356924 where: bonds (distance) C4'-P energy: -140.628 bonds (distance) P-C4' energy: -161.365 flat angles C4'-P-C4' energy: -156.327 flat angles P-C4'-P energy: -103.994 tors. eta vs tors. theta energy: -177.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2184.213969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.213969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.213969 (E_RNA) where: Base-Base interactions energy: -1487.179 where: short stacking energy: -643.374 Base-Backbone interact. energy: -2.646 local terms energy: -694.389472 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -139.638 flat angles C4'-P-C4' energy: -146.761 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -184.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1940.851504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.851504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.851504 (E_RNA) where: Base-Base interactions energy: -1297.531 where: short stacking energy: -553.371 Base-Backbone interact. energy: -1.035 local terms energy: -642.285948 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -142.033 flat angles P-C4'-P energy: -68.968 tors. eta vs tors. theta energy: -145.425 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: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1794.662541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.662541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.662541 (E_RNA) where: Base-Base interactions energy: -1182.499 where: short stacking energy: -516.693 Base-Backbone interact. energy: 1.610 local terms energy: -613.773201 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -149.952 flat angles C4'-P-C4' energy: -149.202 flat angles P-C4'-P energy: -79.430 tors. eta vs tors. theta energy: -120.035 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: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1289.330780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.330780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.330780 (E_RNA) where: Base-Base interactions energy: -764.032 where: short stacking energy: -355.334 Base-Backbone interact. energy: -0.850 local terms energy: -524.449359 where: bonds (distance) C4'-P energy: -106.886 bonds (distance) P-C4' energy: -119.552 flat angles C4'-P-C4' energy: -134.605 flat angles P-C4'-P energy: -83.693 tors. eta vs tors. theta energy: -79.713 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: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -902.512209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.512209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.512209 (E_RNA) where: Base-Base interactions energy: -479.892 where: short stacking energy: -252.261 Base-Backbone interact. energy: -1.253 local terms energy: -421.366750 where: bonds (distance) C4'-P energy: -107.351 bonds (distance) P-C4' energy: -128.228 flat angles C4'-P-C4' energy: -111.682 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -14.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -651.595879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.595879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.595879 (E_RNA) where: Base-Base interactions energy: -266.200 where: short stacking energy: -177.203 Base-Backbone interact. energy: 1.161 local terms energy: -386.557053 where: bonds (distance) C4'-P energy: -119.115 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -110.073 flat angles P-C4'-P energy: -45.755 tors. eta vs tors. theta energy: 27.057 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2609.606569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.606569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.606569 (E_RNA) where: Base-Base interactions energy: -1838.471 where: short stacking energy: -766.482 Base-Backbone interact. energy: -0.051 local terms energy: -771.084492 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -146.151 flat angles C4'-P-C4' energy: -169.690 flat angles P-C4'-P energy: -110.216 tors. eta vs tors. theta energy: -210.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2549.243484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.243484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.243484 (E_RNA) where: Base-Base interactions energy: -1784.886 where: short stacking energy: -717.542 Base-Backbone interact. energy: -2.994 local terms energy: -761.364209 where: bonds (distance) C4'-P energy: -135.356 bonds (distance) P-C4' energy: -152.191 flat angles C4'-P-C4' energy: -155.327 flat angles P-C4'-P energy: -111.756 tors. eta vs tors. theta energy: -206.734 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: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2364.763546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.763546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.763546 (E_RNA) where: Base-Base interactions energy: -1603.977 where: short stacking energy: -733.207 Base-Backbone interact. energy: -2.865 local terms energy: -757.921211 where: bonds (distance) C4'-P energy: -128.025 bonds (distance) P-C4' energy: -143.327 flat angles C4'-P-C4' energy: -162.030 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -226.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2243.655747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.655747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.655747 (E_RNA) where: Base-Base interactions energy: -1513.391 where: short stacking energy: -649.062 Base-Backbone interact. energy: -1.880 local terms energy: -728.384954 where: bonds (distance) C4'-P energy: -121.967 bonds (distance) P-C4' energy: -150.881 flat angles C4'-P-C4' energy: -152.739 flat angles P-C4'-P energy: -107.955 tors. eta vs tors. theta energy: -194.843 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: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2215.433044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.433044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.433044 (E_RNA) where: Base-Base interactions energy: -1524.025 where: short stacking energy: -653.892 Base-Backbone interact. energy: -1.190 local terms energy: -690.217612 where: bonds (distance) C4'-P energy: -128.096 bonds (distance) P-C4' energy: -128.955 flat angles C4'-P-C4' energy: -159.421 flat angles P-C4'-P energy: -97.120 tors. eta vs tors. theta energy: -176.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1964.540721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.540721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.540721 (E_RNA) where: Base-Base interactions energy: -1326.209 where: short stacking energy: -561.216 Base-Backbone interact. energy: -4.260 local terms energy: -634.071135 where: bonds (distance) C4'-P energy: -138.214 bonds (distance) P-C4' energy: -129.293 flat angles C4'-P-C4' energy: -146.031 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -150.327 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: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1902.017993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.017993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.017993 (E_RNA) where: Base-Base interactions energy: -1282.039 where: short stacking energy: -585.932 Base-Backbone interact. energy: -2.319 local terms energy: -617.660286 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -120.491 flat angles P-C4'-P energy: -94.961 tors. eta vs tors. theta energy: -168.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1311.352789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.352789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.352789 (E_RNA) where: Base-Base interactions energy: -782.151 where: short stacking energy: -362.979 Base-Backbone interact. energy: 0.184 local terms energy: -529.386502 where: bonds (distance) C4'-P energy: -137.448 bonds (distance) P-C4' energy: -132.717 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -66.959 tors. eta vs tors. theta energy: -83.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -885.081686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.081686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.081686 (E_RNA) where: Base-Base interactions energy: -440.701 where: short stacking energy: -259.129 Base-Backbone interact. energy: -1.505 local terms energy: -442.875476 where: bonds (distance) C4'-P energy: -112.409 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -110.476 flat angles P-C4'-P energy: -73.234 tors. eta vs tors. theta energy: -7.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -705.583053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.583053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.583053 (E_RNA) where: Base-Base interactions energy: -303.708 where: short stacking energy: -207.319 Base-Backbone interact. energy: 6.937 local terms energy: -408.811483 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -121.480 flat angles C4'-P-C4' energy: -106.500 flat angles P-C4'-P energy: -53.790 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2608.129315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.129315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.129315 (E_RNA) where: Base-Base interactions energy: -1827.859 where: short stacking energy: -771.750 Base-Backbone interact. energy: -1.511 local terms energy: -778.759767 where: bonds (distance) C4'-P energy: -143.389 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -164.561 flat angles P-C4'-P energy: -119.426 tors. eta vs tors. theta energy: -210.805 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: 181 Temperature: 0.950000 Total energy: -2495.487105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.487105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.487105 (E_RNA) where: Base-Base interactions energy: -1744.565 where: short stacking energy: -704.633 Base-Backbone interact. energy: -4.010 local terms energy: -746.912234 where: bonds (distance) C4'-P energy: -140.272 bonds (distance) P-C4' energy: -139.528 flat angles C4'-P-C4' energy: -166.807 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -195.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2348.636292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.636292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.636292 (E_RNA) where: Base-Base interactions energy: -1588.742 where: short stacking energy: -695.488 Base-Backbone interact. energy: -1.358 local terms energy: -758.536277 where: bonds (distance) C4'-P energy: -132.773 bonds (distance) P-C4' energy: -146.810 flat angles C4'-P-C4' energy: -166.799 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -210.377 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: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2238.003513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.003513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.003513 (E_RNA) where: Base-Base interactions energy: -1540.775 where: short stacking energy: -646.589 Base-Backbone interact. energy: 1.997 local terms energy: -699.225516 where: bonds (distance) C4'-P energy: -128.469 bonds (distance) P-C4' energy: -148.678 flat angles C4'-P-C4' energy: -153.115 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -175.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2223.036785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.036785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.036785 (E_RNA) where: Base-Base interactions energy: -1569.422 where: short stacking energy: -638.299 Base-Backbone interact. energy: -3.869 local terms energy: -649.745997 where: bonds (distance) C4'-P energy: -128.395 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -143.256 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -165.467 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1926.244861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.244861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.244861 (E_RNA) where: Base-Base interactions energy: -1282.816 where: short stacking energy: -565.865 Base-Backbone interact. energy: -0.214 local terms energy: -643.215087 where: bonds (distance) C4'-P energy: -112.056 bonds (distance) P-C4' energy: -131.984 flat angles C4'-P-C4' energy: -151.862 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -152.605 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: 181 Temperature: 1.200000 Total energy: -1908.222657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.222657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.222657 (E_RNA) where: Base-Base interactions energy: -1271.815 where: short stacking energy: -577.664 Base-Backbone interact. energy: -0.739 local terms energy: -635.668877 where: bonds (distance) C4'-P energy: -136.149 bonds (distance) P-C4' energy: -128.777 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -82.517 tors. eta vs tors. theta energy: -154.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1319.921182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.921182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.921182 (E_RNA) where: Base-Base interactions energy: -827.531 where: short stacking energy: -419.099 Base-Backbone interact. energy: -0.445 local terms energy: -491.945783 where: bonds (distance) C4'-P energy: -96.295 bonds (distance) P-C4' energy: -119.472 flat angles C4'-P-C4' energy: -118.928 flat angles P-C4'-P energy: -84.621 tors. eta vs tors. theta energy: -72.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -910.050508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.050508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.050508 (E_RNA) where: Base-Base interactions energy: -474.484 where: short stacking energy: -278.260 Base-Backbone interact. energy: -1.185 local terms energy: -434.381452 where: bonds (distance) C4'-P energy: -129.708 bonds (distance) P-C4' energy: -118.439 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -29.293 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: 181 Temperature: 1.350000 Total energy: -650.756359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.756359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.756359 (E_RNA) where: Base-Base interactions energy: -282.904 where: short stacking energy: -172.658 Base-Backbone interact. energy: 3.286 local terms energy: -371.138709 where: bonds (distance) C4'-P energy: -106.805 bonds (distance) P-C4' energy: -116.735 flat angles C4'-P-C4' energy: -102.794 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: 24.662 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: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2637.153576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.153576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.153576 (E_RNA) where: Base-Base interactions energy: -1859.556 where: short stacking energy: -751.827 Base-Backbone interact. energy: -2.815 local terms energy: -774.782423 where: bonds (distance) C4'-P energy: -149.544 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -167.128 flat angles P-C4'-P energy: -101.719 tors. eta vs tors. theta energy: -211.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2531.903277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.903277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.903277 (E_RNA) where: Base-Base interactions energy: -1755.792 where: short stacking energy: -741.779 Base-Backbone interact. energy: -4.608 local terms energy: -771.503054 where: bonds (distance) C4'-P energy: -144.600 bonds (distance) P-C4' energy: -143.969 flat angles C4'-P-C4' energy: -166.534 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -216.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2353.677784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.677784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.677784 (E_RNA) where: Base-Base interactions energy: -1611.358 where: short stacking energy: -716.846 Base-Backbone interact. energy: -3.226 local terms energy: -739.093449 where: bonds (distance) C4'-P energy: -125.138 bonds (distance) P-C4' energy: -144.671 flat angles C4'-P-C4' energy: -166.140 flat angles P-C4'-P energy: -97.422 tors. eta vs tors. theta energy: -205.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2265.627167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.627167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.627167 (E_RNA) where: Base-Base interactions energy: -1548.527 where: short stacking energy: -665.700 Base-Backbone interact. energy: -1.096 local terms energy: -716.004150 where: bonds (distance) C4'-P energy: -124.787 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -163.723 flat angles P-C4'-P energy: -111.083 tors. eta vs tors. theta energy: -162.507 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: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2225.801569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.801569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.801569 (E_RNA) where: Base-Base interactions energy: -1521.334 where: short stacking energy: -667.116 Base-Backbone interact. energy: -3.267 local terms energy: -701.200812 where: bonds (distance) C4'-P energy: -138.645 bonds (distance) P-C4' energy: -129.665 flat angles C4'-P-C4' energy: -146.821 flat angles P-C4'-P energy: -97.666 tors. eta vs tors. theta energy: -188.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1980.528225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.528225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.528225 (E_RNA) where: Base-Base interactions energy: -1341.135 where: short stacking energy: -582.816 Base-Backbone interact. energy: 0.661 local terms energy: -640.054999 where: bonds (distance) C4'-P energy: -131.995 bonds (distance) P-C4' energy: -120.373 flat angles C4'-P-C4' energy: -148.427 flat angles P-C4'-P energy: -87.232 tors. eta vs tors. theta energy: -152.027 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: 182 Temperature: 1.200000 Total energy: -1899.610804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.610804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.610804 (E_RNA) where: Base-Base interactions energy: -1262.287 where: short stacking energy: -555.567 Base-Backbone interact. energy: -0.824 local terms energy: -636.499854 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -146.598 flat angles P-C4'-P energy: -80.747 tors. eta vs tors. theta energy: -156.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1287.452069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.452069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.452069 (E_RNA) where: Base-Base interactions energy: -783.959 where: short stacking energy: -368.568 Base-Backbone interact. energy: 0.171 local terms energy: -503.664483 where: bonds (distance) C4'-P energy: -131.714 bonds (distance) P-C4' energy: -121.316 flat angles C4'-P-C4' energy: -123.204 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: -52.462 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: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -861.578954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.578954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.578954 (E_RNA) where: Base-Base interactions energy: -428.948 where: short stacking energy: -243.267 Base-Backbone interact. energy: -0.064 local terms energy: -432.566704 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -135.465 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -66.509 tors. eta vs tors. theta energy: 5.205 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: 182 Temperature: 1.350000 Total energy: -650.268838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.268838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.268838 (E_RNA) where: Base-Base interactions energy: -249.407 where: short stacking energy: -194.306 Base-Backbone interact. energy: 3.403 local terms energy: -404.265225 where: bonds (distance) C4'-P energy: -112.662 bonds (distance) P-C4' energy: -120.587 flat angles C4'-P-C4' energy: -108.371 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: 11.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2612.087146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.087146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.087146 (E_RNA) where: Base-Base interactions energy: -1860.099 where: short stacking energy: -747.258 Base-Backbone interact. energy: -3.932 local terms energy: -748.056450 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -140.920 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -108.338 tors. eta vs tors. theta energy: -207.557 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: 183 Temperature: 0.950000 Total energy: -2527.395333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.395333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.395333 (E_RNA) where: Base-Base interactions energy: -1771.982 where: short stacking energy: -746.593 Base-Backbone interact. energy: 2.926 local terms energy: -758.339259 where: bonds (distance) C4'-P energy: -135.997 bonds (distance) P-C4' energy: -136.374 flat angles C4'-P-C4' energy: -166.802 flat angles P-C4'-P energy: -110.524 tors. eta vs tors. theta energy: -208.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2367.343248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.343248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.343248 (E_RNA) where: Base-Base interactions energy: -1604.790 where: short stacking energy: -718.309 Base-Backbone interact. energy: -3.216 local terms energy: -759.337276 where: bonds (distance) C4'-P energy: -126.494 bonds (distance) P-C4' energy: -146.477 flat angles C4'-P-C4' energy: -163.166 flat angles P-C4'-P energy: -109.601 tors. eta vs tors. theta energy: -213.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2226.749031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.749031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.749031 (E_RNA) where: Base-Base interactions energy: -1552.084 where: short stacking energy: -661.829 Base-Backbone interact. energy: 0.767 local terms energy: -675.432626 where: bonds (distance) C4'-P energy: -138.003 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -169.757 flat angles P-C4'-P energy: -80.975 tors. eta vs tors. theta energy: -162.514 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: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2172.070715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.070715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.070715 (E_RNA) where: Base-Base interactions energy: -1480.068 where: short stacking energy: -606.803 Base-Backbone interact. energy: 2.881 local terms energy: -694.884296 where: bonds (distance) C4'-P energy: -124.116 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -148.090 flat angles P-C4'-P energy: -99.192 tors. eta vs tors. theta energy: -172.816 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: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1932.163884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.163884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.163884 (E_RNA) where: Base-Base interactions energy: -1277.990 where: short stacking energy: -541.128 Base-Backbone interact. energy: -3.781 local terms energy: -650.392714 where: bonds (distance) C4'-P energy: -128.017 bonds (distance) P-C4' energy: -141.218 flat angles C4'-P-C4' energy: -156.956 flat angles P-C4'-P energy: -75.500 tors. eta vs tors. theta energy: -148.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1873.789042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.789042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.789042 (E_RNA) where: Base-Base interactions energy: -1244.949 where: short stacking energy: -569.869 Base-Backbone interact. energy: 0.940 local terms energy: -629.780601 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -142.960 flat angles C4'-P-C4' energy: -143.099 flat angles P-C4'-P energy: -75.448 tors. eta vs tors. theta energy: -152.142 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1269.395485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.395485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.395485 (E_RNA) where: Base-Base interactions energy: -734.434 where: short stacking energy: -343.997 Base-Backbone interact. energy: 0.546 local terms energy: -535.507559 where: bonds (distance) C4'-P energy: -132.922 bonds (distance) P-C4' energy: -146.446 flat angles C4'-P-C4' energy: -128.624 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: -66.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -875.070000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.070000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.070000 (E_RNA) where: Base-Base interactions energy: -471.966 where: short stacking energy: -263.736 Base-Backbone interact. energy: 6.753 local terms energy: -409.856881 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -123.520 flat angles C4'-P-C4' energy: -107.753 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -7.889 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: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -648.436109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.436109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.436109 (E_RNA) where: Base-Base interactions energy: -259.756 where: short stacking energy: -179.787 Base-Backbone interact. energy: 2.528 local terms energy: -391.207395 where: bonds (distance) C4'-P energy: -129.266 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: 3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2615.553608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.553608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.553608 (E_RNA) where: Base-Base interactions energy: -1841.812 where: short stacking energy: -729.856 Base-Backbone interact. energy: -2.710 local terms energy: -771.031746 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -151.876 flat angles C4'-P-C4' energy: -154.754 flat angles P-C4'-P energy: -117.740 tors. eta vs tors. theta energy: -203.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2509.967326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.967326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.967326 (E_RNA) where: Base-Base interactions energy: -1740.236 where: short stacking energy: -728.963 Base-Backbone interact. energy: 0.458 local terms energy: -770.189767 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -148.765 flat angles C4'-P-C4' energy: -169.789 flat angles P-C4'-P energy: -112.725 tors. eta vs tors. theta energy: -206.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2366.839787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.839787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.839787 (E_RNA) where: Base-Base interactions energy: -1609.498 where: short stacking energy: -726.142 Base-Backbone interact. energy: 0.524 local terms energy: -757.866188 where: bonds (distance) C4'-P energy: -139.823 bonds (distance) P-C4' energy: -141.035 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -105.712 tors. eta vs tors. theta energy: -220.030 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: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2222.832703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.832703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.832703 (E_RNA) where: Base-Base interactions energy: -1521.690 where: short stacking energy: -628.250 Base-Backbone interact. energy: -1.659 local terms energy: -699.484130 where: bonds (distance) C4'-P energy: -130.009 bonds (distance) P-C4' energy: -140.751 flat angles C4'-P-C4' energy: -155.467 flat angles P-C4'-P energy: -107.061 tors. eta vs tors. theta energy: -166.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2153.313597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.313597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.313597 (E_RNA) where: Base-Base interactions energy: -1476.083 where: short stacking energy: -631.134 Base-Backbone interact. energy: 1.518 local terms energy: -678.747977 where: bonds (distance) C4'-P energy: -120.900 bonds (distance) P-C4' energy: -127.678 flat angles C4'-P-C4' energy: -148.552 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -180.059 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: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2035.372706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.372706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.372706 (E_RNA) where: Base-Base interactions energy: -1371.824 where: short stacking energy: -624.369 Base-Backbone interact. energy: 4.246 local terms energy: -667.794808 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -133.952 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -178.942 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: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1846.482754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.482754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.482754 (E_RNA) where: Base-Base interactions energy: -1237.088 where: short stacking energy: -515.652 Base-Backbone interact. energy: -3.067 local terms energy: -606.327584 where: bonds (distance) C4'-P energy: -116.603 bonds (distance) P-C4' energy: -137.170 flat angles C4'-P-C4' energy: -149.171 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -118.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1263.958574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.958574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.958574 (E_RNA) where: Base-Base interactions energy: -747.756 where: short stacking energy: -383.857 Base-Backbone interact. energy: 0.754 local terms energy: -516.956749 where: bonds (distance) C4'-P energy: -117.104 bonds (distance) P-C4' energy: -126.471 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -72.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -864.842798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.842798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.842798 (E_RNA) where: Base-Base interactions energy: -431.959 where: short stacking energy: -236.732 Base-Backbone interact. energy: 0.628 local terms energy: -433.512045 where: bonds (distance) C4'-P energy: -116.985 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -108.994 flat angles P-C4'-P energy: -73.169 tors. eta vs tors. theta energy: 0.723 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: 184 Temperature: 1.350000 Total energy: -675.992099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.992099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.992099 (E_RNA) where: Base-Base interactions energy: -290.061 where: short stacking energy: -200.705 Base-Backbone interact. energy: -2.735 local terms energy: -383.196737 where: bonds (distance) C4'-P energy: -92.299 bonds (distance) P-C4' energy: -137.021 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: 11.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2623.905871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.905871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.905871 (E_RNA) where: Base-Base interactions energy: -1827.074 where: short stacking energy: -737.650 Base-Backbone interact. energy: -2.816 local terms energy: -794.015770 where: bonds (distance) C4'-P energy: -154.972 bonds (distance) P-C4' energy: -154.631 flat angles C4'-P-C4' energy: -165.127 flat angles P-C4'-P energy: -110.764 tors. eta vs tors. theta energy: -208.522 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: 185 Temperature: 0.950000 Total energy: -2577.371986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.371986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.371986 (E_RNA) where: Base-Base interactions energy: -1801.277 where: short stacking energy: -747.542 Base-Backbone interact. energy: -0.558 local terms energy: -775.537057 where: bonds (distance) C4'-P energy: -135.186 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -170.938 flat angles P-C4'-P energy: -117.287 tors. eta vs tors. theta energy: -208.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2332.020210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.020210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.020210 (E_RNA) where: Base-Base interactions energy: -1552.938 where: short stacking energy: -702.245 Base-Backbone interact. energy: -0.487 local terms energy: -778.594576 where: bonds (distance) C4'-P energy: -141.375 bonds (distance) P-C4' energy: -150.721 flat angles C4'-P-C4' energy: -160.111 flat angles P-C4'-P energy: -120.380 tors. eta vs tors. theta energy: -206.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2206.216625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.216625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.216625 (E_RNA) where: Base-Base interactions energy: -1561.094 where: short stacking energy: -634.655 Base-Backbone interact. energy: 2.944 local terms energy: -648.066523 where: bonds (distance) C4'-P energy: -133.209 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -144.126 flat angles P-C4'-P energy: -79.428 tors. eta vs tors. theta energy: -169.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2147.954357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.954357 (E_RNA) where: Base-Base interactions energy: -1481.744 where: short stacking energy: -599.687 Base-Backbone interact. energy: -2.312 local terms energy: -663.899186 where: bonds (distance) C4'-P energy: -130.930 bonds (distance) P-C4' energy: -124.875 flat angles C4'-P-C4' energy: -150.040 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -164.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2007.025966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.025966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.025966 (E_RNA) where: Base-Base interactions energy: -1355.313 where: short stacking energy: -597.917 Base-Backbone interact. energy: -1.308 local terms energy: -650.404714 where: bonds (distance) C4'-P energy: -111.887 bonds (distance) P-C4' energy: -141.459 flat angles C4'-P-C4' energy: -158.664 flat angles P-C4'-P energy: -86.432 tors. eta vs tors. theta energy: -151.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1871.331190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.331190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.331190 (E_RNA) where: Base-Base interactions energy: -1271.976 where: short stacking energy: -562.387 Base-Backbone interact. energy: 0.215 local terms energy: -599.570739 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -117.291 flat angles C4'-P-C4' energy: -149.240 flat angles P-C4'-P energy: -90.658 tors. eta vs tors. theta energy: -128.442 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: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1337.948711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.948711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.948711 (E_RNA) where: Base-Base interactions energy: -807.986 where: short stacking energy: -395.497 Base-Backbone interact. energy: -1.913 local terms energy: -528.049679 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -125.154 flat angles C4'-P-C4' energy: -137.244 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -70.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -877.978476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.978476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.978476 (E_RNA) where: Base-Base interactions energy: -440.733 where: short stacking energy: -257.494 Base-Backbone interact. energy: -0.524 local terms energy: -436.721483 where: bonds (distance) C4'-P energy: -141.456 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: 6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -665.556959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.556959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.556959 (E_RNA) where: Base-Base interactions energy: -263.895 where: short stacking energy: -175.656 Base-Backbone interact. energy: 5.228 local terms energy: -406.890225 where: bonds (distance) C4'-P energy: -133.897 bonds (distance) P-C4' energy: -133.311 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: 20.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2641.430555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.430555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.430555 (E_RNA) where: Base-Base interactions energy: -1841.335 where: short stacking energy: -795.095 Base-Backbone interact. energy: -0.708 local terms energy: -799.387328 where: bonds (distance) C4'-P energy: -138.569 bonds (distance) P-C4' energy: -154.750 flat angles C4'-P-C4' energy: -171.588 flat angles P-C4'-P energy: -112.204 tors. eta vs tors. theta energy: -222.276 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: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2592.331052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.331052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.331052 (E_RNA) where: Base-Base interactions energy: -1829.125 where: short stacking energy: -730.040 Base-Backbone interact. energy: -3.203 local terms energy: -760.003711 where: bonds (distance) C4'-P energy: -152.085 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -170.354 flat angles P-C4'-P energy: -98.017 tors. eta vs tors. theta energy: -197.020 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: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2324.580824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.580824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.580824 (E_RNA) where: Base-Base interactions energy: -1550.966 where: short stacking energy: -723.190 Base-Backbone interact. energy: -0.056 local terms energy: -773.558029 where: bonds (distance) C4'-P energy: -131.279 bonds (distance) P-C4' energy: -138.302 flat angles C4'-P-C4' energy: -169.891 flat angles P-C4'-P energy: -112.236 tors. eta vs tors. theta energy: -221.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2245.440164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.440164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.440164 (E_RNA) where: Base-Base interactions energy: -1533.455 where: short stacking energy: -663.536 Base-Backbone interact. energy: -1.972 local terms energy: -710.012822 where: bonds (distance) C4'-P energy: -142.388 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -144.131 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -205.638 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: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2163.367153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.367153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.367153 (E_RNA) where: Base-Base interactions energy: -1474.464 where: short stacking energy: -624.787 Base-Backbone interact. energy: -0.456 local terms energy: -688.447816 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -142.858 flat angles C4'-P-C4' energy: -152.507 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -171.776 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: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1910.204000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.204000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.204000 (E_RNA) where: Base-Base interactions energy: -1285.376 where: short stacking energy: -558.854 Base-Backbone interact. energy: -4.792 local terms energy: -620.035990 where: bonds (distance) C4'-P energy: -125.614 bonds (distance) P-C4' energy: -129.243 flat angles C4'-P-C4' energy: -142.594 flat angles P-C4'-P energy: -92.544 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: 186 Temperature: 1.200000 Total energy: -1868.182593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.182593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.182593 (E_RNA) where: Base-Base interactions energy: -1263.341 where: short stacking energy: -532.026 Base-Backbone interact. energy: -1.868 local terms energy: -602.973199 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -147.882 flat angles C4'-P-C4' energy: -135.040 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -136.989 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: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1321.405855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.405855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.405855 (E_RNA) where: Base-Base interactions energy: -820.707 where: short stacking energy: -374.259 Base-Backbone interact. energy: -1.054 local terms energy: -499.644951 where: bonds (distance) C4'-P energy: -114.949 bonds (distance) P-C4' energy: -110.305 flat angles C4'-P-C4' energy: -128.898 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: -58.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -897.258684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.258684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.258684 (E_RNA) where: Base-Base interactions energy: -468.877 where: short stacking energy: -229.769 Base-Backbone interact. energy: 6.813 local terms energy: -435.194836 where: bonds (distance) C4'-P energy: -127.303 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -113.171 flat angles P-C4'-P energy: -71.405 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -714.774348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.774348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.774348 (E_RNA) where: Base-Base interactions energy: -336.815 where: short stacking energy: -231.056 Base-Backbone interact. energy: 2.062 local terms energy: -380.021416 where: bonds (distance) C4'-P energy: -99.191 bonds (distance) P-C4' energy: -126.202 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -41.516 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2668.647120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.647120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.647120 (E_RNA) where: Base-Base interactions energy: -1835.165 where: short stacking energy: -774.699 Base-Backbone interact. energy: -3.430 local terms energy: -830.052684 where: bonds (distance) C4'-P energy: -148.142 bonds (distance) P-C4' energy: -156.081 flat angles C4'-P-C4' energy: -179.826 flat angles P-C4'-P energy: -117.649 tors. eta vs tors. theta energy: -228.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2610.977310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.977310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.977310 (E_RNA) where: Base-Base interactions energy: -1823.361 where: short stacking energy: -725.944 Base-Backbone interact. energy: 0.267 local terms energy: -787.882853 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -145.606 flat angles C4'-P-C4' energy: -171.730 flat angles P-C4'-P energy: -111.073 tors. eta vs tors. theta energy: -212.498 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: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2330.558934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.558934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.558934 (E_RNA) where: Base-Base interactions energy: -1580.307 where: short stacking energy: -725.821 Base-Backbone interact. energy: -2.866 local terms energy: -747.385682 where: bonds (distance) C4'-P energy: -131.432 bonds (distance) P-C4' energy: -139.979 flat angles C4'-P-C4' energy: -164.445 flat angles P-C4'-P energy: -105.496 tors. eta vs tors. theta energy: -206.034 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: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2291.130127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.130127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.130127 (E_RNA) where: Base-Base interactions energy: -1563.343 where: short stacking energy: -660.469 Base-Backbone interact. energy: -3.065 local terms energy: -724.721935 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -148.693 flat angles P-C4'-P energy: -104.019 tors. eta vs tors. theta energy: -199.117 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: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2110.264638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.264638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.264638 (E_RNA) where: Base-Base interactions energy: -1422.650 where: short stacking energy: -603.665 Base-Backbone interact. energy: -0.890 local terms energy: -686.723875 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -142.620 flat angles C4'-P-C4' energy: -151.355 flat angles P-C4'-P energy: -112.960 tors. eta vs tors. theta energy: -170.034 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: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1962.109657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.109657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.109657 (E_RNA) where: Base-Base interactions energy: -1344.959 where: short stacking energy: -590.093 Base-Backbone interact. energy: 3.853 local terms energy: -621.003616 where: bonds (distance) C4'-P energy: -114.027 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -126.403 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -165.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1868.983523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.983523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.983523 (E_RNA) where: Base-Base interactions energy: -1227.978 where: short stacking energy: -516.636 Base-Backbone interact. energy: -1.248 local terms energy: -639.757593 where: bonds (distance) C4'-P energy: -133.771 bonds (distance) P-C4' energy: -130.522 flat angles C4'-P-C4' energy: -144.459 flat angles P-C4'-P energy: -96.036 tors. eta vs tors. theta energy: -134.970 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: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1263.393096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.393096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.393096 (E_RNA) where: Base-Base interactions energy: -766.678 where: short stacking energy: -363.838 Base-Backbone interact. energy: -0.720 local terms energy: -495.995142 where: bonds (distance) C4'-P energy: -132.256 bonds (distance) P-C4' energy: -110.056 flat angles C4'-P-C4' energy: -123.144 flat angles P-C4'-P energy: -77.160 tors. eta vs tors. theta energy: -53.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -890.828909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.828909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.828909 (E_RNA) where: Base-Base interactions energy: -483.495 where: short stacking energy: -299.349 Base-Backbone interact. energy: -3.083 local terms energy: -404.250269 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -86.280 flat angles P-C4'-P energy: -61.974 tors. eta vs tors. theta energy: -29.317 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: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -709.794294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.794294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.794294 (E_RNA) where: Base-Base interactions energy: -343.029 where: short stacking energy: -207.197 Base-Backbone interact. energy: 3.169 local terms energy: -369.934012 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -62.530 tors. eta vs tors. theta energy: 22.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2649.995821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.995821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.995821 (E_RNA) where: Base-Base interactions energy: -1858.308 where: short stacking energy: -763.196 Base-Backbone interact. energy: -3.936 local terms energy: -787.751646 where: bonds (distance) C4'-P energy: -149.441 bonds (distance) P-C4' energy: -146.676 flat angles C4'-P-C4' energy: -166.686 flat angles P-C4'-P energy: -114.941 tors. eta vs tors. theta energy: -210.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2576.904010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.904010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.904010 (E_RNA) where: Base-Base interactions energy: -1810.479 where: short stacking energy: -748.934 Base-Backbone interact. energy: 0.594 local terms energy: -767.019273 where: bonds (distance) C4'-P energy: -135.328 bonds (distance) P-C4' energy: -151.131 flat angles C4'-P-C4' energy: -169.663 flat angles P-C4'-P energy: -110.744 tors. eta vs tors. theta energy: -200.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2328.316570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.316570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.316570 (E_RNA) where: Base-Base interactions energy: -1584.673 where: short stacking energy: -706.944 Base-Backbone interact. energy: 0.153 local terms energy: -743.796192 where: bonds (distance) C4'-P energy: -134.540 bonds (distance) P-C4' energy: -147.314 flat angles C4'-P-C4' energy: -148.813 flat angles P-C4'-P energy: -104.236 tors. eta vs tors. theta energy: -208.893 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2274.250279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.250279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.250279 (E_RNA) where: Base-Base interactions energy: -1560.974 where: short stacking energy: -668.225 Base-Backbone interact. energy: -2.143 local terms energy: -711.133566 where: bonds (distance) C4'-P energy: -140.091 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -147.583 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -188.043 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: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2151.034220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.034220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.034220 (E_RNA) where: Base-Base interactions energy: -1442.534 where: short stacking energy: -618.687 Base-Backbone interact. energy: 3.255 local terms energy: -711.754624 where: bonds (distance) C4'-P energy: -128.626 bonds (distance) P-C4' energy: -146.331 flat angles C4'-P-C4' energy: -161.597 flat angles P-C4'-P energy: -100.012 tors. eta vs tors. theta energy: -175.189 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1969.959501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.959501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.959501 (E_RNA) where: Base-Base interactions energy: -1310.212 where: short stacking energy: -563.846 Base-Backbone interact. energy: 2.677 local terms energy: -662.424448 where: bonds (distance) C4'-P energy: -134.869 bonds (distance) P-C4' energy: -132.056 flat angles C4'-P-C4' energy: -143.660 flat angles P-C4'-P energy: -95.896 tors. eta vs tors. theta energy: -155.944 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: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1775.286264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.286264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.286264 (E_RNA) where: Base-Base interactions energy: -1198.458 where: short stacking energy: -513.228 Base-Backbone interact. energy: -1.814 local terms energy: -575.013875 where: bonds (distance) C4'-P energy: -116.626 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -131.043 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -116.875 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: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1255.105276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.105276 (E_RNA) where: Base-Base interactions energy: -732.544 where: short stacking energy: -368.451 Base-Backbone interact. energy: -3.015 local terms energy: -519.546130 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -129.035 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -56.783 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: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -891.281493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.281493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.281493 (E_RNA) where: Base-Base interactions energy: -461.883 where: short stacking energy: -244.727 Base-Backbone interact. energy: 0.389 local terms energy: -429.787249 where: bonds (distance) C4'-P energy: -128.377 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -107.573 flat angles P-C4'-P energy: -65.511 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -742.469187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.469187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.469187 (E_RNA) where: Base-Base interactions energy: -351.782 where: short stacking energy: -221.571 Base-Backbone interact. energy: 0.367 local terms energy: -391.054188 where: bonds (distance) C4'-P energy: -115.891 bonds (distance) P-C4' energy: -103.913 flat angles C4'-P-C4' energy: -112.531 flat angles P-C4'-P energy: -74.452 tors. eta vs tors. theta energy: 15.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2635.791060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.791060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.791060 (E_RNA) where: Base-Base interactions energy: -1847.233 where: short stacking energy: -768.797 Base-Backbone interact. energy: 1.354 local terms energy: -789.911748 where: bonds (distance) C4'-P energy: -149.417 bonds (distance) P-C4' energy: -156.781 flat angles C4'-P-C4' energy: -156.684 flat angles P-C4'-P energy: -102.814 tors. eta vs tors. theta energy: -224.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2560.338739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.338739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.338739 (E_RNA) where: Base-Base interactions energy: -1779.560 where: short stacking energy: -750.560 Base-Backbone interact. energy: 0.782 local terms energy: -781.560982 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -172.994 flat angles P-C4'-P energy: -109.893 tors. eta vs tors. theta energy: -213.700 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: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2381.890693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.890693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.890693 (E_RNA) where: Base-Base interactions energy: -1607.555 where: short stacking energy: -757.173 Base-Backbone interact. energy: -0.219 local terms energy: -774.116400 where: bonds (distance) C4'-P energy: -137.134 bonds (distance) P-C4' energy: -136.039 flat angles C4'-P-C4' energy: -162.313 flat angles P-C4'-P energy: -111.710 tors. eta vs tors. theta energy: -226.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2282.746327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.746327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.746327 (E_RNA) where: Base-Base interactions energy: -1571.674 where: short stacking energy: -651.949 Base-Backbone interact. energy: -2.662 local terms energy: -708.410646 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -111.687 tors. eta vs tors. theta energy: -169.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2158.527408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.527408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.527408 (E_RNA) where: Base-Base interactions energy: -1454.943 where: short stacking energy: -624.518 Base-Backbone interact. energy: 1.965 local terms energy: -705.550204 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -149.589 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -165.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1948.817393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.817393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.817393 (E_RNA) where: Base-Base interactions energy: -1302.827 where: short stacking energy: -560.151 Base-Backbone interact. energy: 0.307 local terms energy: -646.297477 where: bonds (distance) C4'-P energy: -137.605 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -141.108 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -152.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1815.703286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.703286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.703286 (E_RNA) where: Base-Base interactions energy: -1193.751 where: short stacking energy: -507.723 Base-Backbone interact. energy: -2.949 local terms energy: -619.003826 where: bonds (distance) C4'-P energy: -135.803 bonds (distance) P-C4' energy: -136.524 flat angles C4'-P-C4' energy: -145.788 flat angles P-C4'-P energy: -89.762 tors. eta vs tors. theta energy: -111.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1348.452553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.452553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.452553 (E_RNA) where: Base-Base interactions energy: -808.358 where: short stacking energy: -407.083 Base-Backbone interact. energy: -0.881 local terms energy: -539.213811 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -136.359 flat angles C4'-P-C4' energy: -133.294 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -61.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -963.363523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.363523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.363523 (E_RNA) where: Base-Base interactions energy: -521.070 where: short stacking energy: -269.167 Base-Backbone interact. energy: 2.326 local terms energy: -444.619399 where: bonds (distance) C4'-P energy: -119.577 bonds (distance) P-C4' energy: -118.897 flat angles C4'-P-C4' energy: -121.524 flat angles P-C4'-P energy: -64.786 tors. eta vs tors. theta energy: -19.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -777.631307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.631307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.631307 (E_RNA) where: Base-Base interactions energy: -391.558 where: short stacking energy: -236.803 Base-Backbone interact. energy: -2.921 local terms energy: -383.152356 where: bonds (distance) C4'-P energy: -102.388 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -112.352 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2613.302345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.302345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.302345 (E_RNA) where: Base-Base interactions energy: -1822.698 where: short stacking energy: -767.696 Base-Backbone interact. energy: -1.578 local terms energy: -789.026041 where: bonds (distance) C4'-P energy: -149.752 bonds (distance) P-C4' energy: -144.789 flat angles C4'-P-C4' energy: -170.596 flat angles P-C4'-P energy: -111.389 tors. eta vs tors. theta energy: -212.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2571.202651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.202651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.202651 (E_RNA) where: Base-Base interactions energy: -1804.246 where: short stacking energy: -755.104 Base-Backbone interact. energy: -4.380 local terms energy: -762.576393 where: bonds (distance) C4'-P energy: -131.278 bonds (distance) P-C4' energy: -134.431 flat angles C4'-P-C4' energy: -162.916 flat angles P-C4'-P energy: -115.251 tors. eta vs tors. theta energy: -218.700 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: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2342.155334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.155334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.155334 (E_RNA) where: Base-Base interactions energy: -1541.822 where: short stacking energy: -710.310 Base-Backbone interact. energy: 0.183 local terms energy: -800.516362 where: bonds (distance) C4'-P energy: -155.520 bonds (distance) P-C4' energy: -148.811 flat angles C4'-P-C4' energy: -171.936 flat angles P-C4'-P energy: -110.105 tors. eta vs tors. theta energy: -214.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2299.477412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.477412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.477412 (E_RNA) where: Base-Base interactions energy: -1593.294 where: short stacking energy: -710.565 Base-Backbone interact. energy: 0.278 local terms energy: -706.461387 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -134.921 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -98.182 tors. eta vs tors. theta energy: -209.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2141.920331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.920331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.920331 (E_RNA) where: Base-Base interactions energy: -1464.457 where: short stacking energy: -621.102 Base-Backbone interact. energy: 3.437 local terms energy: -680.900626 where: bonds (distance) C4'-P energy: -137.655 bonds (distance) P-C4' energy: -133.433 flat angles C4'-P-C4' energy: -148.173 flat angles P-C4'-P energy: -85.649 tors. eta vs tors. theta energy: -175.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1985.749325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.749325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.749325 (E_RNA) where: Base-Base interactions energy: -1331.605 where: short stacking energy: -613.128 Base-Backbone interact. energy: -1.986 local terms energy: -652.158002 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -106.758 flat angles C4'-P-C4' energy: -152.077 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -160.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1885.240127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.240127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.240127 (E_RNA) where: Base-Base interactions energy: -1268.423 where: short stacking energy: -563.284 Base-Backbone interact. energy: 0.555 local terms energy: -617.372193 where: bonds (distance) C4'-P energy: -126.814 bonds (distance) P-C4' energy: -122.706 flat angles C4'-P-C4' energy: -133.278 flat angles P-C4'-P energy: -85.333 tors. eta vs tors. theta energy: -149.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1357.864196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.864196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.864196 (E_RNA) where: Base-Base interactions energy: -828.038 where: short stacking energy: -395.777 Base-Backbone interact. energy: -0.710 local terms energy: -529.116653 where: bonds (distance) C4'-P energy: -124.843 bonds (distance) P-C4' energy: -129.842 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -75.892 tors. eta vs tors. theta energy: -71.413 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: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1023.549395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.549395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.549395 (E_RNA) where: Base-Base interactions energy: -541.621 where: short stacking energy: -304.737 Base-Backbone interact. energy: -1.081 local terms energy: -480.848262 where: bonds (distance) C4'-P energy: -127.922 bonds (distance) P-C4' energy: -122.163 flat angles C4'-P-C4' energy: -121.331 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -43.547 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: 190 Temperature: 1.350000 Total energy: -745.055595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.055595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.055595 (E_RNA) where: Base-Base interactions energy: -383.070 where: short stacking energy: -219.228 Base-Backbone interact. energy: 3.196 local terms energy: -365.180844 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -120.974 flat angles C4'-P-C4' energy: -101.305 flat angles P-C4'-P energy: -71.681 tors. eta vs tors. theta energy: 19.180 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: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2593.022177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.022177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.022177 (E_RNA) where: Base-Base interactions energy: -1822.870 where: short stacking energy: -747.019 Base-Backbone interact. energy: -2.842 local terms energy: -767.309508 where: bonds (distance) C4'-P energy: -149.876 bonds (distance) P-C4' energy: -146.047 flat angles C4'-P-C4' energy: -164.495 flat angles P-C4'-P energy: -98.566 tors. eta vs tors. theta energy: -208.325 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: 2, replica: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2568.696383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.696383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.696383 (E_RNA) where: Base-Base interactions energy: -1801.227 where: short stacking energy: -737.878 Base-Backbone interact. energy: 4.661 local terms energy: -772.129741 where: bonds (distance) C4'-P energy: -145.988 bonds (distance) P-C4' energy: -154.854 flat angles C4'-P-C4' energy: -161.601 flat angles P-C4'-P energy: -106.409 tors. eta vs tors. theta energy: -203.278 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: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2334.570886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.570886 (E_RNA) where: Base-Base interactions energy: -1557.058 where: short stacking energy: -719.029 Base-Backbone interact. energy: 2.147 local terms energy: -779.660688 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -149.884 flat angles C4'-P-C4' energy: -148.289 flat angles P-C4'-P energy: -121.144 tors. eta vs tors. theta energy: -223.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2271.068611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.068611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.068611 (E_RNA) where: Base-Base interactions energy: -1553.139 where: short stacking energy: -672.685 Base-Backbone interact. energy: -1.072 local terms energy: -716.858280 where: bonds (distance) C4'-P energy: -132.134 bonds (distance) P-C4' energy: -148.799 flat angles C4'-P-C4' energy: -151.359 flat angles P-C4'-P energy: -106.480 tors. eta vs tors. theta energy: -178.086 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: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2163.161738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.161738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.161738 (E_RNA) where: Base-Base interactions energy: -1462.915 where: short stacking energy: -634.766 Base-Backbone interact. energy: 0.451 local terms energy: -700.697711 where: bonds (distance) C4'-P energy: -122.582 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -143.941 flat angles P-C4'-P energy: -107.306 tors. eta vs tors. theta energy: -183.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1958.665837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.665837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.665837 (E_RNA) where: Base-Base interactions energy: -1341.898 where: short stacking energy: -571.176 Base-Backbone interact. energy: 2.202 local terms energy: -618.970621 where: bonds (distance) C4'-P energy: -117.926 bonds (distance) P-C4' energy: -132.842 flat angles C4'-P-C4' energy: -148.077 flat angles P-C4'-P energy: -83.498 tors. eta vs tors. theta energy: -136.627 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: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1848.367764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.367764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.367764 (E_RNA) where: Base-Base interactions energy: -1278.482 where: short stacking energy: -521.430 Base-Backbone interact. energy: -2.421 local terms energy: -567.463886 where: bonds (distance) C4'-P energy: -121.326 bonds (distance) P-C4' energy: -112.761 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -68.101 tors. eta vs tors. theta energy: -133.026 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: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1365.574314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.574314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.574314 (E_RNA) where: Base-Base interactions energy: -830.648 where: short stacking energy: -402.098 Base-Backbone interact. energy: -0.612 local terms energy: -534.314136 where: bonds (distance) C4'-P energy: -113.752 bonds (distance) P-C4' energy: -114.194 flat angles C4'-P-C4' energy: -140.852 flat angles P-C4'-P energy: -83.017 tors. eta vs tors. theta energy: -82.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1040.295242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.295242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.295242 (E_RNA) where: Base-Base interactions energy: -558.452 where: short stacking energy: -264.028 Base-Backbone interact. energy: 2.838 local terms energy: -484.681255 where: bonds (distance) C4'-P energy: -121.543 bonds (distance) P-C4' energy: -129.289 flat angles C4'-P-C4' energy: -134.182 flat angles P-C4'-P energy: -71.828 tors. eta vs tors. theta energy: -27.840 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: 191 Temperature: 1.350000 Total energy: -674.053616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.053616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.053616 (E_RNA) where: Base-Base interactions energy: -268.064 where: short stacking energy: -174.001 Base-Backbone interact. energy: -0.321 local terms energy: -405.668102 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -137.772 flat angles C4'-P-C4' energy: -114.286 flat angles P-C4'-P energy: -53.303 tors. eta vs tors. theta energy: 22.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2647.373154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.373154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.373154 (E_RNA) where: Base-Base interactions energy: -1850.588 where: short stacking energy: -765.887 Base-Backbone interact. energy: -2.636 local terms energy: -794.149725 where: bonds (distance) C4'-P energy: -137.776 bonds (distance) P-C4' energy: -159.822 flat angles C4'-P-C4' energy: -171.908 flat angles P-C4'-P energy: -118.429 tors. eta vs tors. theta energy: -206.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2576.774813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.774813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.774813 (E_RNA) where: Base-Base interactions energy: -1808.120 where: short stacking energy: -733.272 Base-Backbone interact. energy: -3.794 local terms energy: -764.860840 where: bonds (distance) C4'-P energy: -150.185 bonds (distance) P-C4' energy: -142.618 flat angles C4'-P-C4' energy: -164.835 flat angles P-C4'-P energy: -101.217 tors. eta vs tors. theta energy: -206.006 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: 192 Temperature: 1.000000 Total energy: -2322.334248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.334248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.334248 (E_RNA) where: Base-Base interactions energy: -1558.782 where: short stacking energy: -674.597 Base-Backbone interact. energy: 0.456 local terms energy: -764.007415 where: bonds (distance) C4'-P energy: -128.808 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -176.343 flat angles P-C4'-P energy: -109.610 tors. eta vs tors. theta energy: -202.866 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: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2261.320338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.320338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.320338 (E_RNA) where: Base-Base interactions energy: -1517.513 where: short stacking energy: -665.509 Base-Backbone interact. energy: -1.357 local terms energy: -742.449835 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -140.011 flat angles C4'-P-C4' energy: -154.398 flat angles P-C4'-P energy: -113.832 tors. eta vs tors. theta energy: -204.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2162.449334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.449334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.449334 (E_RNA) where: Base-Base interactions energy: -1493.240 where: short stacking energy: -634.406 Base-Backbone interact. energy: 0.716 local terms energy: -669.924581 where: bonds (distance) C4'-P energy: -120.636 bonds (distance) P-C4' energy: -135.563 flat angles C4'-P-C4' energy: -138.889 flat angles P-C4'-P energy: -98.992 tors. eta vs tors. theta energy: -175.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1989.419636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.419636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.419636 (E_RNA) where: Base-Base interactions energy: -1374.626 where: short stacking energy: -600.872 Base-Backbone interact. energy: -2.750 local terms energy: -612.043555 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -145.435 flat angles P-C4'-P energy: -89.210 tors. eta vs tors. theta energy: -151.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1755.600646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.600646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.600646 (E_RNA) where: Base-Base interactions energy: -1156.927 where: short stacking energy: -513.262 Base-Backbone interact. energy: -1.310 local terms energy: -597.363997 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -132.592 flat angles C4'-P-C4' energy: -150.668 flat angles P-C4'-P energy: -64.947 tors. eta vs tors. theta energy: -129.089 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: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1289.590342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.590342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.590342 (E_RNA) where: Base-Base interactions energy: -757.299 where: short stacking energy: -369.902 Base-Backbone interact. energy: 0.046 local terms energy: -532.336965 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -125.773 flat angles C4'-P-C4' energy: -129.017 flat angles P-C4'-P energy: -105.069 tors. eta vs tors. theta energy: -64.965 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: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1076.471198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.471198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.471198 (E_RNA) where: Base-Base interactions energy: -647.400 where: short stacking energy: -301.770 Base-Backbone interact. energy: -0.713 local terms energy: -428.358185 where: bonds (distance) C4'-P energy: -117.326 bonds (distance) P-C4' energy: -113.811 flat angles C4'-P-C4' energy: -98.325 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -34.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -694.948006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.948006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.948006 (E_RNA) where: Base-Base interactions energy: -351.967 where: short stacking energy: -206.955 Base-Backbone interact. energy: 4.267 local terms energy: -347.247596 where: bonds (distance) C4'-P energy: -114.089 bonds (distance) P-C4' energy: -113.673 flat angles C4'-P-C4' energy: -99.388 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: 22.097 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: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2636.057400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.057400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.057400 (E_RNA) where: Base-Base interactions energy: -1834.383 where: short stacking energy: -738.972 Base-Backbone interact. energy: -2.565 local terms energy: -799.109941 where: bonds (distance) C4'-P energy: -142.418 bonds (distance) P-C4' energy: -154.765 flat angles C4'-P-C4' energy: -163.818 flat angles P-C4'-P energy: -117.312 tors. eta vs tors. theta energy: -220.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2572.060668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.060668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.060668 (E_RNA) where: Base-Base interactions energy: -1811.759 where: short stacking energy: -758.233 Base-Backbone interact. energy: 4.458 local terms energy: -764.760130 where: bonds (distance) C4'-P energy: -145.797 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -102.533 tors. eta vs tors. theta energy: -211.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2347.481063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.481063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.481063 (E_RNA) where: Base-Base interactions energy: -1608.158 where: short stacking energy: -662.658 Base-Backbone interact. energy: -1.970 local terms energy: -737.353103 where: bonds (distance) C4'-P energy: -127.420 bonds (distance) P-C4' energy: -168.163 flat angles C4'-P-C4' energy: -147.896 flat angles P-C4'-P energy: -113.437 tors. eta vs tors. theta energy: -180.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2311.967183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.967183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.967183 (E_RNA) where: Base-Base interactions energy: -1578.601 where: short stacking energy: -708.365 Base-Backbone interact. energy: 2.575 local terms energy: -735.941486 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -147.646 flat angles C4'-P-C4' energy: -154.098 flat angles P-C4'-P energy: -85.172 tors. eta vs tors. theta energy: -214.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2149.204150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.204150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.204150 (E_RNA) where: Base-Base interactions energy: -1459.008 where: short stacking energy: -637.015 Base-Backbone interact. energy: 0.764 local terms energy: -690.960121 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -140.690 flat angles C4'-P-C4' energy: -157.132 flat angles P-C4'-P energy: -95.582 tors. eta vs tors. theta energy: -167.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1955.634884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.634884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.634884 (E_RNA) where: Base-Base interactions energy: -1332.912 where: short stacking energy: -574.691 Base-Backbone interact. energy: -1.292 local terms energy: -621.430638 where: bonds (distance) C4'-P energy: -114.565 bonds (distance) P-C4' energy: -123.215 flat angles C4'-P-C4' energy: -147.740 flat angles P-C4'-P energy: -91.972 tors. eta vs tors. theta energy: -143.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1791.338829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.338829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.338829 (E_RNA) where: Base-Base interactions energy: -1191.150 where: short stacking energy: -518.166 Base-Backbone interact. energy: 3.470 local terms energy: -603.657964 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -133.296 flat angles P-C4'-P energy: -82.247 tors. eta vs tors. theta energy: -130.182 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: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1237.485864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.485864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.485864 (E_RNA) where: Base-Base interactions energy: -743.745 where: short stacking energy: -368.228 Base-Backbone interact. energy: 5.297 local terms energy: -499.038318 where: bonds (distance) C4'-P energy: -113.842 bonds (distance) P-C4' energy: -155.155 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -50.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1128.696007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.696007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.696007 (E_RNA) where: Base-Base interactions energy: -642.949 where: short stacking energy: -306.883 Base-Backbone interact. energy: 5.171 local terms energy: -490.918218 where: bonds (distance) C4'-P energy: -125.860 bonds (distance) P-C4' energy: -128.812 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -84.231 tors. eta vs tors. theta energy: -43.321 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: 193 Temperature: 1.350000 Total energy: -631.284971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.284971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.284971 (E_RNA) where: Base-Base interactions energy: -240.066 where: short stacking energy: -155.284 Base-Backbone interact. energy: 3.475 local terms energy: -394.694407 where: bonds (distance) C4'-P energy: -125.061 bonds (distance) P-C4' energy: -141.816 flat angles C4'-P-C4' energy: -94.757 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: 19.739 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: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2627.893792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.893792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.893792 (E_RNA) where: Base-Base interactions energy: -1848.047 where: short stacking energy: -745.250 Base-Backbone interact. energy: -3.829 local terms energy: -776.017445 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -146.617 flat angles C4'-P-C4' energy: -174.921 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -209.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2625.822924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.822924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.822924 (E_RNA) where: Base-Base interactions energy: -1856.502 where: short stacking energy: -740.642 Base-Backbone interact. energy: -3.929 local terms energy: -765.391489 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -146.004 flat angles C4'-P-C4' energy: -165.462 flat angles P-C4'-P energy: -104.151 tors. eta vs tors. theta energy: -215.577 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: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2338.700623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.700623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.700623 (E_RNA) where: Base-Base interactions energy: -1591.903 where: short stacking energy: -676.647 Base-Backbone interact. energy: -4.067 local terms energy: -742.730439 where: bonds (distance) C4'-P energy: -144.182 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -166.520 flat angles P-C4'-P energy: -103.248 tors. eta vs tors. theta energy: -182.498 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: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2239.081225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.081225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.081225 (E_RNA) where: Base-Base interactions energy: -1541.492 where: short stacking energy: -689.617 Base-Backbone interact. energy: 1.140 local terms energy: -698.729481 where: bonds (distance) C4'-P energy: -134.879 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -140.049 flat angles P-C4'-P energy: -97.014 tors. eta vs tors. theta energy: -196.399 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: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2152.151900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.151900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.151900 (E_RNA) where: Base-Base interactions energy: -1474.739 where: short stacking energy: -628.539 Base-Backbone interact. energy: 1.125 local terms energy: -678.537488 where: bonds (distance) C4'-P energy: -135.488 bonds (distance) P-C4' energy: -130.482 flat angles C4'-P-C4' energy: -149.734 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -168.256 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: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2050.825795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.825795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.825795 (E_RNA) where: Base-Base interactions energy: -1383.575 where: short stacking energy: -575.314 Base-Backbone interact. energy: -2.632 local terms energy: -664.618411 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -141.020 flat angles C4'-P-C4' energy: -144.315 flat angles P-C4'-P energy: -86.750 tors. eta vs tors. theta energy: -154.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1816.229903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.229903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.229903 (E_RNA) where: Base-Base interactions energy: -1223.306 where: short stacking energy: -537.117 Base-Backbone interact. energy: -1.517 local terms energy: -591.406946 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -117.689 flat angles C4'-P-C4' energy: -129.509 flat angles P-C4'-P energy: -92.330 tors. eta vs tors. theta energy: -128.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1231.536220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.536220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.536220 (E_RNA) where: Base-Base interactions energy: -724.740 where: short stacking energy: -339.423 Base-Backbone interact. energy: -0.503 local terms energy: -506.293140 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -127.628 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -60.004 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: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1041.260287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.260287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.260287 (E_RNA) where: Base-Base interactions energy: -579.641 where: short stacking energy: -323.233 Base-Backbone interact. energy: 6.448 local terms energy: -468.067885 where: bonds (distance) C4'-P energy: -133.326 bonds (distance) P-C4' energy: -118.470 flat angles C4'-P-C4' energy: -113.761 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: -37.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -677.182035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.182035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.182035 (E_RNA) where: Base-Base interactions energy: -299.250 where: short stacking energy: -202.562 Base-Backbone interact. energy: -2.249 local terms energy: -375.683024 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -139.112 flat angles C4'-P-C4' energy: -104.013 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: 8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2649.103791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.103791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.103791 (E_RNA) where: Base-Base interactions energy: -1884.730 where: short stacking energy: -750.709 Base-Backbone interact. energy: -2.324 local terms energy: -762.050252 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -135.966 flat angles C4'-P-C4' energy: -164.666 flat angles P-C4'-P energy: -97.245 tors. eta vs tors. theta energy: -214.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2594.437738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.437738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.437738 (E_RNA) where: Base-Base interactions energy: -1834.247 where: short stacking energy: -756.353 Base-Backbone interact. energy: -0.091 local terms energy: -760.100147 where: bonds (distance) C4'-P energy: -144.815 bonds (distance) P-C4' energy: -141.228 flat angles C4'-P-C4' energy: -159.217 flat angles P-C4'-P energy: -110.927 tors. eta vs tors. theta energy: -203.913 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: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2339.297671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.297671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.297671 (E_RNA) where: Base-Base interactions energy: -1610.767 where: short stacking energy: -688.135 Base-Backbone interact. energy: -2.900 local terms energy: -725.630750 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -159.766 flat angles P-C4'-P energy: -95.529 tors. eta vs tors. theta energy: -192.296 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2278.955811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.955811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.955811 (E_RNA) where: Base-Base interactions energy: -1523.070 where: short stacking energy: -722.929 Base-Backbone interact. energy: -0.787 local terms energy: -755.098104 where: bonds (distance) C4'-P energy: -119.917 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -158.697 flat angles P-C4'-P energy: -100.525 tors. eta vs tors. theta energy: -226.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2115.158150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.158150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.158150 (E_RNA) where: Base-Base interactions energy: -1434.970 where: short stacking energy: -594.368 Base-Backbone interact. energy: -4.686 local terms energy: -675.502152 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -127.911 flat angles C4'-P-C4' energy: -150.580 flat angles P-C4'-P energy: -110.359 tors. eta vs tors. theta energy: -158.857 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: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2056.557645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.557645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.557645 (E_RNA) where: Base-Base interactions energy: -1388.725 where: short stacking energy: -600.489 Base-Backbone interact. energy: -2.857 local terms energy: -664.975424 where: bonds (distance) C4'-P energy: -116.662 bonds (distance) P-C4' energy: -136.045 flat angles C4'-P-C4' energy: -154.733 flat angles P-C4'-P energy: -94.539 tors. eta vs tors. theta energy: -162.996 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: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1837.645002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.645002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.645002 (E_RNA) where: Base-Base interactions energy: -1221.710 where: short stacking energy: -542.330 Base-Backbone interact. energy: 0.070 local terms energy: -616.005845 where: bonds (distance) C4'-P energy: -134.289 bonds (distance) P-C4' energy: -118.340 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -138.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1259.500373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.500373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.500373 (E_RNA) where: Base-Base interactions energy: -757.114 where: short stacking energy: -360.395 Base-Backbone interact. energy: -0.608 local terms energy: -501.779015 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -122.872 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -53.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1029.451541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.451541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.451541 (E_RNA) where: Base-Base interactions energy: -564.094 where: short stacking energy: -287.312 Base-Backbone interact. energy: 1.283 local terms energy: -466.640652 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -120.002 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -31.906 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: 195 Temperature: 1.350000 Total energy: -662.769867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.769867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.769867 (E_RNA) where: Base-Base interactions energy: -311.755 where: short stacking energy: -194.056 Base-Backbone interact. energy: -1.470 local terms energy: -349.544918 where: bonds (distance) C4'-P energy: -117.260 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -102.919 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: 13.277 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: 196 Temperature: 0.900000 Total energy: -2653.171546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.171546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.171546 (E_RNA) where: Base-Base interactions energy: -1844.471 where: short stacking energy: -749.493 Base-Backbone interact. energy: -4.342 local terms energy: -804.358444 where: bonds (distance) C4'-P energy: -158.906 bonds (distance) P-C4' energy: -154.942 flat angles C4'-P-C4' energy: -156.895 flat angles P-C4'-P energy: -119.640 tors. eta vs tors. theta energy: -213.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2611.106927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.106927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.106927 (E_RNA) where: Base-Base interactions energy: -1859.137 where: short stacking energy: -746.955 Base-Backbone interact. energy: -1.571 local terms energy: -750.398548 where: bonds (distance) C4'-P energy: -125.435 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -166.328 flat angles P-C4'-P energy: -112.873 tors. eta vs tors. theta energy: -208.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2359.419817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.419817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.419817 (E_RNA) where: Base-Base interactions energy: -1592.443 where: short stacking energy: -668.754 Base-Backbone interact. energy: -1.350 local terms energy: -765.626910 where: bonds (distance) C4'-P energy: -135.874 bonds (distance) P-C4' energy: -147.339 flat angles C4'-P-C4' energy: -176.190 flat angles P-C4'-P energy: -107.677 tors. eta vs tors. theta energy: -198.547 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: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2271.911885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.911885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.911885 (E_RNA) where: Base-Base interactions energy: -1514.227 where: short stacking energy: -684.601 Base-Backbone interact. energy: 0.864 local terms energy: -758.549284 where: bonds (distance) C4'-P energy: -137.974 bonds (distance) P-C4' energy: -149.754 flat angles C4'-P-C4' energy: -167.552 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -194.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2147.164057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.164057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.164057 (E_RNA) where: Base-Base interactions energy: -1462.318 where: short stacking energy: -645.109 Base-Backbone interact. energy: -1.634 local terms energy: -683.211900 where: bonds (distance) C4'-P energy: -130.013 bonds (distance) P-C4' energy: -121.622 flat angles C4'-P-C4' energy: -146.094 flat angles P-C4'-P energy: -109.999 tors. eta vs tors. theta energy: -175.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2021.612234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.612234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.612234 (E_RNA) where: Base-Base interactions energy: -1363.084 where: short stacking energy: -572.394 Base-Backbone interact. energy: -2.130 local terms energy: -656.397757 where: bonds (distance) C4'-P energy: -120.811 bonds (distance) P-C4' energy: -138.227 flat angles C4'-P-C4' energy: -145.807 flat angles P-C4'-P energy: -83.523 tors. eta vs tors. theta energy: -168.030 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: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1783.785057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.785057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.785057 (E_RNA) where: Base-Base interactions energy: -1181.818 where: short stacking energy: -512.328 Base-Backbone interact. energy: 0.384 local terms energy: -602.350428 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -129.193 flat angles C4'-P-C4' energy: -128.908 flat angles P-C4'-P energy: -88.792 tors. eta vs tors. theta energy: -129.060 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: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1269.905986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.905986 (E_RNA) where: Base-Base interactions energy: -807.115 where: short stacking energy: -367.598 Base-Backbone interact. energy: 2.740 local terms energy: -465.530504 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -125.993 flat angles C4'-P-C4' energy: -99.260 flat angles P-C4'-P energy: -61.914 tors. eta vs tors. theta energy: -51.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1099.424578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.424578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.424578 (E_RNA) where: Base-Base interactions energy: -643.309 where: short stacking energy: -339.150 Base-Backbone interact. energy: -1.605 local terms energy: -454.509895 where: bonds (distance) C4'-P energy: -97.174 bonds (distance) P-C4' energy: -106.363 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -71.828 tors. eta vs tors. theta energy: -60.397 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: 196 Temperature: 1.350000 Total energy: -684.146263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.146263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.146263 (E_RNA) where: Base-Base interactions energy: -288.781 where: short stacking energy: -203.124 Base-Backbone interact. energy: 1.263 local terms energy: -396.628867 where: bonds (distance) C4'-P energy: -107.405 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: 23.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2658.969551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.969551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.969551 (E_RNA) where: Base-Base interactions energy: -1861.403 where: short stacking energy: -764.830 Base-Backbone interact. energy: 0.522 local terms energy: -798.088861 where: bonds (distance) C4'-P energy: -142.029 bonds (distance) P-C4' energy: -156.540 flat angles C4'-P-C4' energy: -160.272 flat angles P-C4'-P energy: -117.264 tors. eta vs tors. theta energy: -221.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2599.858084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.858084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.858084 (E_RNA) where: Base-Base interactions energy: -1805.427 where: short stacking energy: -716.615 Base-Backbone interact. energy: 0.130 local terms energy: -794.561013 where: bonds (distance) C4'-P energy: -144.199 bonds (distance) P-C4' energy: -156.311 flat angles C4'-P-C4' energy: -169.169 flat angles P-C4'-P energy: -121.855 tors. eta vs tors. theta energy: -203.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2333.583723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.583723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.583723 (E_RNA) where: Base-Base interactions energy: -1601.366 where: short stacking energy: -685.778 Base-Backbone interact. energy: -3.065 local terms energy: -729.153306 where: bonds (distance) C4'-P energy: -152.120 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -145.953 flat angles P-C4'-P energy: -92.767 tors. eta vs tors. theta energy: -189.026 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: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2255.216521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.216521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.216521 (E_RNA) where: Base-Base interactions energy: -1517.332 where: short stacking energy: -689.407 Base-Backbone interact. energy: 1.194 local terms energy: -739.077840 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -151.611 flat angles P-C4'-P energy: -107.186 tors. eta vs tors. theta energy: -203.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2135.617887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.617887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.617887 (E_RNA) where: Base-Base interactions energy: -1442.192 where: short stacking energy: -630.080 Base-Backbone interact. energy: -1.142 local terms energy: -692.284554 where: bonds (distance) C4'-P energy: -130.777 bonds (distance) P-C4' energy: -130.002 flat angles C4'-P-C4' energy: -146.004 flat angles P-C4'-P energy: -106.780 tors. eta vs tors. theta energy: -178.721 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: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2001.490140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.490140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.490140 (E_RNA) where: Base-Base interactions energy: -1348.755 where: short stacking energy: -542.162 Base-Backbone interact. energy: 1.521 local terms energy: -654.256379 where: bonds (distance) C4'-P energy: -119.344 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -147.035 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -144.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1782.863226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.863226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.863226 (E_RNA) where: Base-Base interactions energy: -1195.079 where: short stacking energy: -519.831 Base-Backbone interact. energy: -2.395 local terms energy: -585.388680 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -134.429 flat angles P-C4'-P energy: -96.314 tors. eta vs tors. theta energy: -117.623 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: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1297.175578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.175578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.175578 (E_RNA) where: Base-Base interactions energy: -795.680 where: short stacking energy: -369.704 Base-Backbone interact. energy: -0.560 local terms energy: -500.934799 where: bonds (distance) C4'-P energy: -131.692 bonds (distance) P-C4' energy: -119.041 flat angles C4'-P-C4' energy: -116.814 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -54.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1097.164120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.164120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.164120 (E_RNA) where: Base-Base interactions energy: -644.000 where: short stacking energy: -324.470 Base-Backbone interact. energy: -0.391 local terms energy: -452.773853 where: bonds (distance) C4'-P energy: -112.759 bonds (distance) P-C4' energy: -121.239 flat angles C4'-P-C4' energy: -124.474 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -45.515 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: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -667.716521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.716521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.716521 (E_RNA) where: Base-Base interactions energy: -303.706 where: short stacking energy: -190.664 Base-Backbone interact. energy: -0.466 local terms energy: -363.545193 where: bonds (distance) C4'-P energy: -97.512 bonds (distance) P-C4' energy: -124.686 flat angles C4'-P-C4' energy: -110.408 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: 19.564 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: 198 Temperature: 0.900000 Total energy: -2652.937682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.937682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.937682 (E_RNA) where: Base-Base interactions energy: -1859.450 where: short stacking energy: -759.521 Base-Backbone interact. energy: -2.097 local terms energy: -791.390595 where: bonds (distance) C4'-P energy: -144.904 bonds (distance) P-C4' energy: -150.545 flat angles C4'-P-C4' energy: -162.426 flat angles P-C4'-P energy: -118.735 tors. eta vs tors. theta energy: -214.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2606.340964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.340964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.340964 (E_RNA) where: Base-Base interactions energy: -1841.330 where: short stacking energy: -750.504 Base-Backbone interact. energy: -4.414 local terms energy: -760.596719 where: bonds (distance) C4'-P energy: -134.837 bonds (distance) P-C4' energy: -158.516 flat angles C4'-P-C4' energy: -148.721 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -210.502 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: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2393.150477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.150477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.150477 (E_RNA) where: Base-Base interactions energy: -1661.485 where: short stacking energy: -714.620 Base-Backbone interact. energy: -1.093 local terms energy: -730.572922 where: bonds (distance) C4'-P energy: -136.791 bonds (distance) P-C4' energy: -132.887 flat angles C4'-P-C4' energy: -166.167 flat angles P-C4'-P energy: -97.207 tors. eta vs tors. theta energy: -197.522 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2263.070831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.070831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.070831 (E_RNA) where: Base-Base interactions energy: -1535.476 where: short stacking energy: -739.266 Base-Backbone interact. energy: -3.932 local terms energy: -723.662691 where: bonds (distance) C4'-P energy: -123.718 bonds (distance) P-C4' energy: -142.439 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -91.047 tors. eta vs tors. theta energy: -214.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2185.466157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.466157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.466157 (E_RNA) where: Base-Base interactions energy: -1470.152 where: short stacking energy: -657.419 Base-Backbone interact. energy: -2.034 local terms energy: -713.280591 where: bonds (distance) C4'-P energy: -118.674 bonds (distance) P-C4' energy: -131.109 flat angles C4'-P-C4' energy: -161.730 flat angles P-C4'-P energy: -111.348 tors. eta vs tors. theta energy: -190.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2016.115174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.115174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.115174 (E_RNA) where: Base-Base interactions energy: -1370.172 where: short stacking energy: -602.140 Base-Backbone interact. energy: -2.628 local terms energy: -643.314371 where: bonds (distance) C4'-P energy: -113.115 bonds (distance) P-C4' energy: -132.392 flat angles C4'-P-C4' energy: -131.133 flat angles P-C4'-P energy: -98.053 tors. eta vs tors. theta energy: -168.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1731.712480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.712480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.712480 (E_RNA) where: Base-Base interactions energy: -1117.479 where: short stacking energy: -487.676 Base-Backbone interact. energy: -4.992 local terms energy: -609.242044 where: bonds (distance) C4'-P energy: -135.380 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -148.718 flat angles P-C4'-P energy: -95.797 tors. eta vs tors. theta energy: -126.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1272.971960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.971960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.971960 (E_RNA) where: Base-Base interactions energy: -786.494 where: short stacking energy: -368.845 Base-Backbone interact. energy: -1.086 local terms energy: -485.391492 where: bonds (distance) C4'-P energy: -118.384 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -125.159 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -50.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1050.746824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.746824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.746824 (E_RNA) where: Base-Base interactions energy: -600.414 where: short stacking energy: -276.964 Base-Backbone interact. energy: 0.189 local terms energy: -450.521574 where: bonds (distance) C4'-P energy: -109.918 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -124.508 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -28.720 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: 10, replica: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -668.073483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.073483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.073483 (E_RNA) where: Base-Base interactions energy: -297.103 where: short stacking energy: -171.105 Base-Backbone interact. energy: 6.266 local terms energy: -377.236394 where: bonds (distance) C4'-P energy: -105.595 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -104.554 flat angles P-C4'-P energy: -52.327 tors. eta vs tors. theta energy: 24.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2651.187037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.187037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.187037 (E_RNA) where: Base-Base interactions energy: -1853.813 where: short stacking energy: -771.446 Base-Backbone interact. energy: -2.488 local terms energy: -794.885826 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -172.865 flat angles P-C4'-P energy: -117.551 tors. eta vs tors. theta energy: -218.743 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2624.128927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.128927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.128927 (E_RNA) where: Base-Base interactions energy: -1828.194 where: short stacking energy: -735.069 Base-Backbone interact. energy: -2.898 local terms energy: -793.036848 where: bonds (distance) C4'-P energy: -144.372 bonds (distance) P-C4' energy: -155.753 flat angles C4'-P-C4' energy: -170.752 flat angles P-C4'-P energy: -117.888 tors. eta vs tors. theta energy: -204.271 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: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2382.538423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.538423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.538423 (E_RNA) where: Base-Base interactions energy: -1676.160 where: short stacking energy: -692.324 Base-Backbone interact. energy: 1.505 local terms energy: -707.883269 where: bonds (distance) C4'-P energy: -132.514 bonds (distance) P-C4' energy: -135.486 flat angles C4'-P-C4' energy: -150.770 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -181.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2304.506746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.506746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.506746 (E_RNA) where: Base-Base interactions energy: -1533.943 where: short stacking energy: -698.421 Base-Backbone interact. energy: -0.694 local terms energy: -769.870263 where: bonds (distance) C4'-P energy: -126.711 bonds (distance) P-C4' energy: -145.965 flat angles C4'-P-C4' energy: -172.323 flat angles P-C4'-P energy: -108.642 tors. eta vs tors. theta energy: -216.229 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: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2144.395746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.395746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.395746 (E_RNA) where: Base-Base interactions energy: -1419.777 where: short stacking energy: -654.941 Base-Backbone interact. energy: -2.444 local terms energy: -722.174385 where: bonds (distance) C4'-P energy: -133.489 bonds (distance) P-C4' energy: -135.730 flat angles C4'-P-C4' energy: -162.786 flat angles P-C4'-P energy: -96.397 tors. eta vs tors. theta energy: -193.773 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: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2066.275105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.275105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.275105 (E_RNA) where: Base-Base interactions energy: -1395.091 where: short stacking energy: -579.603 Base-Backbone interact. energy: 3.279 local terms energy: -674.463839 where: bonds (distance) C4'-P energy: -127.335 bonds (distance) P-C4' energy: -143.835 flat angles C4'-P-C4' energy: -146.076 flat angles P-C4'-P energy: -101.330 tors. eta vs tors. theta energy: -155.888 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: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1763.524959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.524959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.524959 (E_RNA) where: Base-Base interactions energy: -1178.270 where: short stacking energy: -527.623 Base-Backbone interact. energy: 0.951 local terms energy: -586.205851 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -137.207 flat angles C4'-P-C4' energy: -130.882 flat angles P-C4'-P energy: -79.258 tors. eta vs tors. theta energy: -131.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1283.027615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.027615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.027615 (E_RNA) where: Base-Base interactions energy: -790.154 where: short stacking energy: -388.058 Base-Backbone interact. energy: 0.588 local terms energy: -493.460867 where: bonds (distance) C4'-P energy: -121.098 bonds (distance) P-C4' energy: -123.548 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -69.989 tors. eta vs tors. theta energy: -65.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -913.505159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.505159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.505159 (E_RNA) where: Base-Base interactions energy: -503.038 where: short stacking energy: -249.368 Base-Backbone interact. energy: -1.449 local terms energy: -409.017810 where: bonds (distance) C4'-P energy: -127.852 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -94.423 flat angles P-C4'-P energy: -63.550 tors. eta vs tors. theta energy: 4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -731.020314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.020314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.020314 (E_RNA) where: Base-Base interactions energy: -364.791 where: short stacking energy: -232.465 Base-Backbone interact. energy: 5.850 local terms energy: -372.078594 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -106.693 flat angles C4'-P-C4' energy: -120.062 flat angles P-C4'-P energy: -62.558 tors. eta vs tors. theta energy: 8.420 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: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2637.753784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.753784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.753784 (E_RNA) where: Base-Base interactions energy: -1855.840 where: short stacking energy: -737.776 Base-Backbone interact. energy: 0.284 local terms energy: -782.197866 where: bonds (distance) C4'-P energy: -152.246 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -168.001 flat angles P-C4'-P energy: -120.407 tors. eta vs tors. theta energy: -203.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2574.980681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.980681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.980681 (E_RNA) where: Base-Base interactions energy: -1831.730 where: short stacking energy: -734.683 Base-Backbone interact. energy: -1.252 local terms energy: -741.998851 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -167.036 flat angles P-C4'-P energy: -108.325 tors. eta vs tors. theta energy: -211.056 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: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2362.458343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.458343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.458343 (E_RNA) where: Base-Base interactions energy: -1628.791 where: short stacking energy: -706.000 Base-Backbone interact. energy: 3.003 local terms energy: -736.670886 where: bonds (distance) C4'-P energy: -132.483 bonds (distance) P-C4' energy: -147.339 flat angles C4'-P-C4' energy: -145.107 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -195.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2245.692555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.692555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.692555 (E_RNA) where: Base-Base interactions energy: -1533.514 where: short stacking energy: -683.637 Base-Backbone interact. energy: -1.254 local terms energy: -710.924466 where: bonds (distance) C4'-P energy: -132.439 bonds (distance) P-C4' energy: -131.804 flat angles C4'-P-C4' energy: -160.406 flat angles P-C4'-P energy: -90.790 tors. eta vs tors. theta energy: -195.486 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: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2174.320826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.320826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.320826 (E_RNA) where: Base-Base interactions energy: -1476.042 where: short stacking energy: -656.558 Base-Backbone interact. energy: -1.006 local terms energy: -697.273506 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -149.758 flat angles P-C4'-P energy: -92.792 tors. eta vs tors. theta energy: -189.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2032.891153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.891153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.891153 (E_RNA) where: Base-Base interactions energy: -1375.335 where: short stacking energy: -574.541 Base-Backbone interact. energy: 1.078 local terms energy: -658.634457 where: bonds (distance) C4'-P energy: -144.839 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -145.338 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -150.269 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1832.123064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.123064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.123064 (E_RNA) where: Base-Base interactions energy: -1216.973 where: short stacking energy: -538.663 Base-Backbone interact. energy: -3.487 local terms energy: -611.662755 where: bonds (distance) C4'-P energy: -137.001 bonds (distance) P-C4' energy: -123.868 flat angles C4'-P-C4' energy: -127.675 flat angles P-C4'-P energy: -84.598 tors. eta vs tors. theta energy: -138.520 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: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1410.631946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.631946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.631946 (E_RNA) where: Base-Base interactions energy: -870.367 where: short stacking energy: -409.227 Base-Backbone interact. energy: -1.182 local terms energy: -539.082952 where: bonds (distance) C4'-P energy: -111.946 bonds (distance) P-C4' energy: -135.189 flat angles C4'-P-C4' energy: -124.365 flat angles P-C4'-P energy: -81.213 tors. eta vs tors. theta energy: -86.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -961.307831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.307831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.307831 (E_RNA) where: Base-Base interactions energy: -498.270 where: short stacking energy: -282.593 Base-Backbone interact. energy: 3.145 local terms energy: -466.183021 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -136.972 flat angles C4'-P-C4' energy: -120.911 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -26.097 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: 200 Temperature: 1.350000 Total energy: -720.633122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.633122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.633122 (E_RNA) where: Base-Base interactions energy: -299.482 where: short stacking energy: -185.674 Base-Backbone interact. energy: -3.212 local terms energy: -417.939201 where: bonds (distance) C4'-P energy: -128.580 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -117.552 flat angles P-C4'-P energy: -66.724 tors. eta vs tors. theta energy: 14.867 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: 201 Temperature: 0.900000 Total energy: -2654.902489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.902489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.902489 (E_RNA) where: Base-Base interactions energy: -1885.215 where: short stacking energy: -745.479 Base-Backbone interact. energy: -6.373 local terms energy: -763.314020 where: bonds (distance) C4'-P energy: -134.555 bonds (distance) P-C4' energy: -149.500 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -109.567 tors. eta vs tors. theta energy: -206.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2597.326531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.326531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.326531 (E_RNA) where: Base-Base interactions energy: -1829.766 where: short stacking energy: -760.561 Base-Backbone interact. energy: -1.746 local terms energy: -765.814176 where: bonds (distance) C4'-P energy: -135.077 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -176.174 flat angles P-C4'-P energy: -92.285 tors. eta vs tors. theta energy: -214.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2370.052019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.052019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.052019 (E_RNA) where: Base-Base interactions energy: -1604.861 where: short stacking energy: -686.723 Base-Backbone interact. energy: 3.607 local terms energy: -768.797842 where: bonds (distance) C4'-P energy: -142.363 bonds (distance) P-C4' energy: -156.886 flat angles C4'-P-C4' energy: -165.899 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -199.743 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: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2277.974388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.974388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.974388 (E_RNA) where: Base-Base interactions energy: -1537.087 where: short stacking energy: -682.504 Base-Backbone interact. energy: -0.112 local terms energy: -740.774840 where: bonds (distance) C4'-P energy: -148.095 bonds (distance) P-C4' energy: -134.813 flat angles C4'-P-C4' energy: -152.761 flat angles P-C4'-P energy: -102.457 tors. eta vs tors. theta energy: -202.650 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: 201 Temperature: 1.100000 Total energy: -2175.632527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.632527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.632527 (E_RNA) where: Base-Base interactions energy: -1461.419 where: short stacking energy: -668.584 Base-Backbone interact. energy: -0.391 local terms energy: -713.822263 where: bonds (distance) C4'-P energy: -130.785 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -156.696 flat angles P-C4'-P energy: -87.724 tors. eta vs tors. theta energy: -196.495 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: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1998.367838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.367838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.367838 (E_RNA) where: Base-Base interactions energy: -1370.267 where: short stacking energy: -587.049 Base-Backbone interact. energy: 0.349 local terms energy: -628.449581 where: bonds (distance) C4'-P energy: -124.224 bonds (distance) P-C4' energy: -129.451 flat angles C4'-P-C4' energy: -135.201 flat angles P-C4'-P energy: -79.128 tors. eta vs tors. theta energy: -160.445 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: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1763.205656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.205656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.205656 (E_RNA) where: Base-Base interactions energy: -1160.919 where: short stacking energy: -516.275 Base-Backbone interact. energy: -2.398 local terms energy: -599.888736 where: bonds (distance) C4'-P energy: -129.311 bonds (distance) P-C4' energy: -133.281 flat angles C4'-P-C4' energy: -127.751 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -123.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1398.339052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.339052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.339052 (E_RNA) where: Base-Base interactions energy: -889.141 where: short stacking energy: -413.684 Base-Backbone interact. energy: 1.317 local terms energy: -510.515609 where: bonds (distance) C4'-P energy: -131.805 bonds (distance) P-C4' energy: -119.642 flat angles C4'-P-C4' energy: -127.741 flat angles P-C4'-P energy: -71.362 tors. eta vs tors. theta energy: -59.965 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: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -952.378512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.378512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.378512 (E_RNA) where: Base-Base interactions energy: -505.006 where: short stacking energy: -281.513 Base-Backbone interact. energy: 2.136 local terms energy: -449.508610 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -114.887 flat angles C4'-P-C4' energy: -121.230 flat angles P-C4'-P energy: -63.335 tors. eta vs tors. theta energy: -30.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -752.754385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.754385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.754385 (E_RNA) where: Base-Base interactions energy: -339.677 where: short stacking energy: -203.139 Base-Backbone interact. energy: 0.748 local terms energy: -413.825107 where: bonds (distance) C4'-P energy: -115.519 bonds (distance) P-C4' energy: -129.830 flat angles C4'-P-C4' energy: -101.924 flat angles P-C4'-P energy: -71.928 tors. eta vs tors. theta energy: 5.376 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: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2680.867235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.867235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.867235 (E_RNA) where: Base-Base interactions energy: -1884.377 where: short stacking energy: -758.209 Base-Backbone interact. energy: -2.226 local terms energy: -794.264429 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -167.832 flat angles C4'-P-C4' energy: -168.550 flat angles P-C4'-P energy: -106.167 tors. eta vs tors. theta energy: -211.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2601.378314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.378314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.378314 (E_RNA) where: Base-Base interactions energy: -1828.197 where: short stacking energy: -749.868 Base-Backbone interact. energy: 2.737 local terms energy: -775.918042 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -139.223 flat angles C4'-P-C4' energy: -168.294 flat angles P-C4'-P energy: -112.322 tors. eta vs tors. theta energy: -220.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2357.203481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.203481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.203481 (E_RNA) where: Base-Base interactions energy: -1592.247 where: short stacking energy: -686.694 Base-Backbone interact. energy: 2.442 local terms energy: -767.397854 where: bonds (distance) C4'-P energy: -147.396 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -157.556 flat angles P-C4'-P energy: -119.953 tors. eta vs tors. theta energy: -187.283 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: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2249.472670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.472670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.472670 (E_RNA) where: Base-Base interactions energy: -1500.227 where: short stacking energy: -687.209 Base-Backbone interact. energy: -1.656 local terms energy: -747.589314 where: bonds (distance) C4'-P energy: -133.841 bonds (distance) P-C4' energy: -148.277 flat angles C4'-P-C4' energy: -160.818 flat angles P-C4'-P energy: -103.449 tors. eta vs tors. theta energy: -201.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2213.449745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.449745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.449745 (E_RNA) where: Base-Base interactions energy: -1477.334 where: short stacking energy: -660.543 Base-Backbone interact. energy: 1.725 local terms energy: -737.840610 where: bonds (distance) C4'-P energy: -129.978 bonds (distance) P-C4' energy: -146.778 flat angles C4'-P-C4' energy: -160.024 flat angles P-C4'-P energy: -103.510 tors. eta vs tors. theta energy: -197.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1963.292370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.292370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.292370 (E_RNA) where: Base-Base interactions energy: -1332.839 where: short stacking energy: -565.270 Base-Backbone interact. energy: 2.634 local terms energy: -633.087766 where: bonds (distance) C4'-P energy: -124.966 bonds (distance) P-C4' energy: -123.391 flat angles C4'-P-C4' energy: -150.315 flat angles P-C4'-P energy: -96.122 tors. eta vs tors. theta energy: -138.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1695.269089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.269089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.269089 (E_RNA) where: Base-Base interactions energy: -1089.209 where: short stacking energy: -477.879 Base-Backbone interact. energy: -1.790 local terms energy: -604.269818 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -127.809 flat angles C4'-P-C4' energy: -130.878 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -132.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1292.257625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.257625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.257625 (E_RNA) where: Base-Base interactions energy: -770.589 where: short stacking energy: -365.795 Base-Backbone interact. energy: -0.754 local terms energy: -520.914356 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -133.364 flat angles C4'-P-C4' energy: -123.167 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -53.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -916.096222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.096222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.096222 (E_RNA) where: Base-Base interactions energy: -497.869 where: short stacking energy: -268.932 Base-Backbone interact. energy: 2.889 local terms energy: -421.116082 where: bonds (distance) C4'-P energy: -105.350 bonds (distance) P-C4' energy: -124.096 flat angles C4'-P-C4' energy: -124.721 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -735.115074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.115074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.115074 (E_RNA) where: Base-Base interactions energy: -351.427 where: short stacking energy: -205.392 Base-Backbone interact. energy: 4.805 local terms energy: -388.493161 where: bonds (distance) C4'-P energy: -113.428 bonds (distance) P-C4' energy: -121.496 flat angles C4'-P-C4' energy: -93.278 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: 7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2679.327207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.327207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.327207 (E_RNA) where: Base-Base interactions energy: -1913.973 where: short stacking energy: -780.293 Base-Backbone interact. energy: -3.383 local terms energy: -761.971025 where: bonds (distance) C4'-P energy: -149.930 bonds (distance) P-C4' energy: -142.606 flat angles C4'-P-C4' energy: -162.152 flat angles P-C4'-P energy: -107.782 tors. eta vs tors. theta energy: -199.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2602.415652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.415652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.415652 (E_RNA) where: Base-Base interactions energy: -1811.609 where: short stacking energy: -751.138 Base-Backbone interact. energy: 0.317 local terms energy: -791.124067 where: bonds (distance) C4'-P energy: -146.901 bonds (distance) P-C4' energy: -144.050 flat angles C4'-P-C4' energy: -161.006 flat angles P-C4'-P energy: -116.352 tors. eta vs tors. theta energy: -222.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2349.223340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.223340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.223340 (E_RNA) where: Base-Base interactions energy: -1637.845 where: short stacking energy: -689.481 Base-Backbone interact. energy: -2.391 local terms energy: -708.987520 where: bonds (distance) C4'-P energy: -123.466 bonds (distance) P-C4' energy: -126.617 flat angles C4'-P-C4' energy: -151.699 flat angles P-C4'-P energy: -114.482 tors. eta vs tors. theta energy: -192.724 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2231.824452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.824452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.824452 (E_RNA) where: Base-Base interactions energy: -1497.066 where: short stacking energy: -657.934 Base-Backbone interact. energy: -1.843 local terms energy: -732.915928 where: bonds (distance) C4'-P energy: -146.381 bonds (distance) P-C4' energy: -135.395 flat angles C4'-P-C4' energy: -159.744 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -186.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2195.660620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.660620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.660620 (E_RNA) where: Base-Base interactions energy: -1492.109 where: short stacking energy: -656.965 Base-Backbone interact. energy: 0.265 local terms energy: -703.817383 where: bonds (distance) C4'-P energy: -124.051 bonds (distance) P-C4' energy: -126.512 flat angles C4'-P-C4' energy: -161.558 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -201.633 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: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2009.674284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.674284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.674284 (E_RNA) where: Base-Base interactions energy: -1375.472 where: short stacking energy: -564.149 Base-Backbone interact. energy: 1.285 local terms energy: -635.487560 where: bonds (distance) C4'-P energy: -130.005 bonds (distance) P-C4' energy: -120.394 flat angles C4'-P-C4' energy: -142.547 flat angles P-C4'-P energy: -90.176 tors. eta vs tors. theta energy: -152.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1704.072705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.072705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.072705 (E_RNA) where: Base-Base interactions energy: -1079.612 where: short stacking energy: -481.050 Base-Backbone interact. energy: -2.342 local terms energy: -622.118745 where: bonds (distance) C4'-P energy: -130.691 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -128.718 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -124.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1340.402378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.402378 (E_RNA) where: Base-Base interactions energy: -846.478 where: short stacking energy: -418.643 Base-Backbone interact. energy: -4.552 local terms energy: -489.372565 where: bonds (distance) C4'-P energy: -108.934 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -137.237 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -76.884 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: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -944.303782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.303782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.303782 (E_RNA) where: Base-Base interactions energy: -523.360 where: short stacking energy: -258.312 Base-Backbone interact. energy: 0.086 local terms energy: -421.029752 where: bonds (distance) C4'-P energy: -102.644 bonds (distance) P-C4' energy: -132.735 flat angles C4'-P-C4' energy: -92.811 flat angles P-C4'-P energy: -75.940 tors. eta vs tors. theta energy: -16.900 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: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -722.415738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.415738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.415738 (E_RNA) where: Base-Base interactions energy: -354.584 where: short stacking energy: -205.235 Base-Backbone interact. energy: -1.752 local terms energy: -366.080062 where: bonds (distance) C4'-P energy: -113.117 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -101.202 flat angles P-C4'-P energy: -52.265 tors. eta vs tors. theta energy: 15.136 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: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2670.597553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.597553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.597553 (E_RNA) where: Base-Base interactions energy: -1870.718 where: short stacking energy: -755.068 Base-Backbone interact. energy: -0.092 local terms energy: -799.788277 where: bonds (distance) C4'-P energy: -150.223 bonds (distance) P-C4' energy: -162.832 flat angles C4'-P-C4' energy: -167.916 flat angles P-C4'-P energy: -115.189 tors. eta vs tors. theta energy: -203.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2598.624034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.624034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.624034 (E_RNA) where: Base-Base interactions energy: -1817.788 where: short stacking energy: -736.673 Base-Backbone interact. energy: -0.021 local terms energy: -780.815480 where: bonds (distance) C4'-P energy: -141.375 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -173.684 flat angles P-C4'-P energy: -105.323 tors. eta vs tors. theta energy: -222.407 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: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2329.943103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.943103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.943103 (E_RNA) where: Base-Base interactions energy: -1576.216 where: short stacking energy: -661.826 Base-Backbone interact. energy: -3.306 local terms energy: -750.421090 where: bonds (distance) C4'-P energy: -136.117 bonds (distance) P-C4' energy: -163.252 flat angles C4'-P-C4' energy: -163.180 flat angles P-C4'-P energy: -110.708 tors. eta vs tors. theta energy: -177.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2268.913756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.913756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.913756 (E_RNA) where: Base-Base interactions energy: -1513.012 where: short stacking energy: -691.451 Base-Backbone interact. energy: -4.439 local terms energy: -751.463187 where: bonds (distance) C4'-P energy: -143.626 bonds (distance) P-C4' energy: -136.712 flat angles C4'-P-C4' energy: -165.981 flat angles P-C4'-P energy: -105.298 tors. eta vs tors. theta energy: -199.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2153.547176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.547176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.547176 (E_RNA) where: Base-Base interactions energy: -1453.151 where: short stacking energy: -635.362 Base-Backbone interact. energy: 3.497 local terms energy: -703.893518 where: bonds (distance) C4'-P energy: -126.464 bonds (distance) P-C4' energy: -144.163 flat angles C4'-P-C4' energy: -141.024 flat angles P-C4'-P energy: -103.673 tors. eta vs tors. theta energy: -188.569 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: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2014.529460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.529460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.529460 (E_RNA) where: Base-Base interactions energy: -1375.372 where: short stacking energy: -582.928 Base-Backbone interact. energy: 3.369 local terms energy: -642.527029 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -123.419 flat angles C4'-P-C4' energy: -140.564 flat angles P-C4'-P energy: -86.601 tors. eta vs tors. theta energy: -159.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1840.744178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.744178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.744178 (E_RNA) where: Base-Base interactions energy: -1226.179 where: short stacking energy: -521.249 Base-Backbone interact. energy: 2.665 local terms energy: -617.230186 where: bonds (distance) C4'-P energy: -122.765 bonds (distance) P-C4' energy: -124.825 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -87.401 tors. eta vs tors. theta energy: -137.983 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: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1303.588570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.588570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.588570 (E_RNA) where: Base-Base interactions energy: -778.978 where: short stacking energy: -365.362 Base-Backbone interact. energy: -0.788 local terms energy: -523.823336 where: bonds (distance) C4'-P energy: -113.509 bonds (distance) P-C4' energy: -147.962 flat angles C4'-P-C4' energy: -116.706 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -73.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -977.012224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.012224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.012224 (E_RNA) where: Base-Base interactions energy: -545.819 where: short stacking energy: -301.095 Base-Backbone interact. energy: 0.756 local terms energy: -431.949408 where: bonds (distance) C4'-P energy: -122.757 bonds (distance) P-C4' energy: -108.926 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -33.806 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: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -693.138144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.138144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.138144 (E_RNA) where: Base-Base interactions energy: -323.836 where: short stacking energy: -221.914 Base-Backbone interact. energy: 6.383 local terms energy: -375.684744 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -131.684 flat angles C4'-P-C4' energy: -92.490 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: 17.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2671.344420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.344420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.344420 (E_RNA) where: Base-Base interactions energy: -1890.195 where: short stacking energy: -760.725 Base-Backbone interact. energy: -2.670 local terms energy: -778.479831 where: bonds (distance) C4'-P energy: -120.796 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -162.289 flat angles P-C4'-P energy: -127.427 tors. eta vs tors. theta energy: -219.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2606.317043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.317043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.317043 (E_RNA) where: Base-Base interactions energy: -1840.486 where: short stacking energy: -754.879 Base-Backbone interact. energy: -1.929 local terms energy: -763.901588 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -139.336 flat angles C4'-P-C4' energy: -171.551 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -209.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2327.191305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.191305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.191305 (E_RNA) where: Base-Base interactions energy: -1620.551 where: short stacking energy: -684.371 Base-Backbone interact. energy: -4.386 local terms energy: -702.254652 where: bonds (distance) C4'-P energy: -130.271 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -151.936 flat angles P-C4'-P energy: -109.191 tors. eta vs tors. theta energy: -184.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2261.343335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.343335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.343335 (E_RNA) where: Base-Base interactions energy: -1532.476 where: short stacking energy: -682.877 Base-Backbone interact. energy: 0.849 local terms energy: -729.715817 where: bonds (distance) C4'-P energy: -136.152 bonds (distance) P-C4' energy: -133.934 flat angles C4'-P-C4' energy: -156.810 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -202.925 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: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2209.298069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.298069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.298069 (E_RNA) where: Base-Base interactions energy: -1509.612 where: short stacking energy: -673.202 Base-Backbone interact. energy: -1.597 local terms energy: -698.089475 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -133.972 flat angles C4'-P-C4' energy: -145.541 flat angles P-C4'-P energy: -97.833 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: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2005.860797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.860797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.860797 (E_RNA) where: Base-Base interactions energy: -1376.903 where: short stacking energy: -577.344 Base-Backbone interact. energy: -1.582 local terms energy: -627.375823 where: bonds (distance) C4'-P energy: -116.278 bonds (distance) P-C4' energy: -119.581 flat angles C4'-P-C4' energy: -149.485 flat angles P-C4'-P energy: -96.973 tors. eta vs tors. theta energy: -145.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1818.138704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.138704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.138704 (E_RNA) where: Base-Base interactions energy: -1218.507 where: short stacking energy: -522.065 Base-Backbone interact. energy: 0.470 local terms energy: -600.101486 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -120.053 flat angles C4'-P-C4' energy: -139.171 flat angles P-C4'-P energy: -84.750 tors. eta vs tors. theta energy: -127.306 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: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1258.405318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.405318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.405318 (E_RNA) where: Base-Base interactions energy: -765.269 where: short stacking energy: -351.364 Base-Backbone interact. energy: -3.298 local terms energy: -489.838237 where: bonds (distance) C4'-P energy: -99.410 bonds (distance) P-C4' energy: -140.370 flat angles C4'-P-C4' energy: -121.543 flat angles P-C4'-P energy: -74.451 tors. eta vs tors. theta energy: -54.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -982.332648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.332648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.332648 (E_RNA) where: Base-Base interactions energy: -557.229 where: short stacking energy: -274.453 Base-Backbone interact. energy: 6.342 local terms energy: -431.446123 where: bonds (distance) C4'-P energy: -98.379 bonds (distance) P-C4' energy: -131.571 flat angles C4'-P-C4' energy: -109.841 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -35.982 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: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -678.640712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.640712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.640712 (E_RNA) where: Base-Base interactions energy: -282.131 where: short stacking energy: -164.802 Base-Backbone interact. energy: -1.862 local terms energy: -394.647439 where: bonds (distance) C4'-P energy: -114.107 bonds (distance) P-C4' energy: -115.329 flat angles C4'-P-C4' energy: -122.056 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: 35.973 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: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2668.507635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.507635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.507635 (E_RNA) where: Base-Base interactions energy: -1863.620 where: short stacking energy: -747.948 Base-Backbone interact. energy: -1.371 local terms energy: -803.516278 where: bonds (distance) C4'-P energy: -138.745 bonds (distance) P-C4' energy: -155.291 flat angles C4'-P-C4' energy: -178.287 flat angles P-C4'-P energy: -117.232 tors. eta vs tors. theta energy: -213.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2569.962783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.962783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.962783 (E_RNA) where: Base-Base interactions energy: -1807.076 where: short stacking energy: -737.965 Base-Backbone interact. energy: -1.626 local terms energy: -761.261720 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -159.985 flat angles P-C4'-P energy: -111.370 tors. eta vs tors. theta energy: -216.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2323.716366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.716366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.716366 (E_RNA) where: Base-Base interactions energy: -1622.201 where: short stacking energy: -683.418 Base-Backbone interact. energy: -0.259 local terms energy: -701.256886 where: bonds (distance) C4'-P energy: -134.337 bonds (distance) P-C4' energy: -123.520 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -177.562 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: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2241.347456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.347456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.347456 (E_RNA) where: Base-Base interactions energy: -1510.058 where: short stacking energy: -671.866 Base-Backbone interact. energy: 0.831 local terms energy: -732.120291 where: bonds (distance) C4'-P energy: -138.818 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -151.792 flat angles P-C4'-P energy: -123.653 tors. eta vs tors. theta energy: -178.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2185.825392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.825392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.825392 (E_RNA) where: Base-Base interactions energy: -1477.425 where: short stacking energy: -649.795 Base-Backbone interact. energy: 7.061 local terms energy: -715.461225 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -140.527 flat angles C4'-P-C4' energy: -155.948 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -194.747 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: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2051.848652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.848652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.848652 (E_RNA) where: Base-Base interactions energy: -1399.896 where: short stacking energy: -598.957 Base-Backbone interact. energy: -2.992 local terms energy: -648.961244 where: bonds (distance) C4'-P energy: -126.229 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -144.745 flat angles P-C4'-P energy: -94.691 tors. eta vs tors. theta energy: -158.234 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: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1838.497488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.497488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.497488 (E_RNA) where: Base-Base interactions energy: -1238.883 where: short stacking energy: -553.892 Base-Backbone interact. energy: -0.986 local terms energy: -598.628559 where: bonds (distance) C4'-P energy: -120.466 bonds (distance) P-C4' energy: -121.246 flat angles C4'-P-C4' energy: -145.910 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: -133.774 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: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1258.224099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.224099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.224099 (E_RNA) where: Base-Base interactions energy: -776.532 where: short stacking energy: -352.652 Base-Backbone interact. energy: 3.919 local terms energy: -485.611044 where: bonds (distance) C4'-P energy: -111.261 bonds (distance) P-C4' energy: -137.363 flat angles C4'-P-C4' energy: -136.729 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -31.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -970.176394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.176394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.176394 (E_RNA) where: Base-Base interactions energy: -513.827 where: short stacking energy: -284.162 Base-Backbone interact. energy: 2.042 local terms energy: -458.391976 where: bonds (distance) C4'-P energy: -120.587 bonds (distance) P-C4' energy: -129.305 flat angles C4'-P-C4' energy: -118.867 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -22.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -665.467330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.467330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.467330 (E_RNA) where: Base-Base interactions energy: -279.473 where: short stacking energy: -191.513 Base-Backbone interact. energy: 5.009 local terms energy: -391.003094 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -119.038 flat angles C4'-P-C4' energy: -101.620 flat angles P-C4'-P energy: -79.104 tors. eta vs tors. theta energy: 15.654 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: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2678.601858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.601858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.601858 (E_RNA) where: Base-Base interactions energy: -1888.672 where: short stacking energy: -764.843 Base-Backbone interact. energy: -2.695 local terms energy: -787.234168 where: bonds (distance) C4'-P energy: -135.657 bonds (distance) P-C4' energy: -149.412 flat angles C4'-P-C4' energy: -173.893 flat angles P-C4'-P energy: -106.821 tors. eta vs tors. theta energy: -221.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2581.994406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.994406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.994406 (E_RNA) where: Base-Base interactions energy: -1833.829 where: short stacking energy: -755.465 Base-Backbone interact. energy: -0.116 local terms energy: -748.049749 where: bonds (distance) C4'-P energy: -146.579 bonds (distance) P-C4' energy: -150.773 flat angles C4'-P-C4' energy: -153.100 flat angles P-C4'-P energy: -93.244 tors. eta vs tors. theta energy: -204.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2330.650861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.650861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.650861 (E_RNA) where: Base-Base interactions energy: -1581.475 where: short stacking energy: -683.298 Base-Backbone interact. energy: -3.893 local terms energy: -745.283576 where: bonds (distance) C4'-P energy: -147.126 bonds (distance) P-C4' energy: -146.638 flat angles C4'-P-C4' energy: -154.722 flat angles P-C4'-P energy: -105.554 tors. eta vs tors. theta energy: -191.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2293.116065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.116065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.116065 (E_RNA) where: Base-Base interactions energy: -1554.939 where: short stacking energy: -679.273 Base-Backbone interact. energy: -1.360 local terms energy: -736.816236 where: bonds (distance) C4'-P energy: -146.152 bonds (distance) P-C4' energy: -138.665 flat angles C4'-P-C4' energy: -150.728 flat angles P-C4'-P energy: -105.931 tors. eta vs tors. theta energy: -195.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2183.579339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.579339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.579339 (E_RNA) where: Base-Base interactions energy: -1492.036 where: short stacking energy: -651.727 Base-Backbone interact. energy: 0.603 local terms energy: -692.145708 where: bonds (distance) C4'-P energy: -128.906 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -161.736 flat angles P-C4'-P energy: -95.333 tors. eta vs tors. theta energy: -188.643 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2062.695667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.695667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.695667 (E_RNA) where: Base-Base interactions energy: -1406.569 where: short stacking energy: -594.780 Base-Backbone interact. energy: -1.471 local terms energy: -654.654804 where: bonds (distance) C4'-P energy: -111.079 bonds (distance) P-C4' energy: -143.091 flat angles C4'-P-C4' energy: -152.319 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -152.751 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: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1777.417211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.417211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.417211 (E_RNA) where: Base-Base interactions energy: -1186.375 where: short stacking energy: -509.622 Base-Backbone interact. energy: -3.659 local terms energy: -587.382579 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -129.165 flat angles C4'-P-C4' energy: -114.598 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -122.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1307.849878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.849878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.849878 (E_RNA) where: Base-Base interactions energy: -804.387 where: short stacking energy: -360.670 Base-Backbone interact. energy: -0.740 local terms energy: -502.723641 where: bonds (distance) C4'-P energy: -119.792 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -72.049 tors. eta vs tors. theta energy: -42.462 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: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -957.070444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.070444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.070444 (E_RNA) where: Base-Base interactions energy: -498.145 where: short stacking energy: -274.946 Base-Backbone interact. energy: -2.432 local terms energy: -456.493815 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -130.673 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -78.114 tors. eta vs tors. theta energy: -17.534 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: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -690.949465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.949465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.949465 (E_RNA) where: Base-Base interactions energy: -314.190 where: short stacking energy: -215.593 Base-Backbone interact. energy: 8.616 local terms energy: -385.374992 where: bonds (distance) C4'-P energy: -102.808 bonds (distance) P-C4' energy: -125.190 flat angles C4'-P-C4' energy: -98.372 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2637.674526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.674526 (E_RNA) where: Base-Base interactions energy: -1867.789 where: short stacking energy: -755.096 Base-Backbone interact. energy: 6.461 local terms energy: -776.346828 where: bonds (distance) C4'-P energy: -138.531 bonds (distance) P-C4' energy: -151.500 flat angles C4'-P-C4' energy: -152.943 flat angles P-C4'-P energy: -121.937 tors. eta vs tors. theta energy: -211.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2564.639115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.639115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.639115 (E_RNA) where: Base-Base interactions energy: -1794.271 where: short stacking energy: -734.893 Base-Backbone interact. energy: -0.533 local terms energy: -769.835767 where: bonds (distance) C4'-P energy: -128.916 bonds (distance) P-C4' energy: -148.358 flat angles C4'-P-C4' energy: -173.259 flat angles P-C4'-P energy: -101.946 tors. eta vs tors. theta energy: -217.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2330.188613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.188613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.188613 (E_RNA) where: Base-Base interactions energy: -1587.347 where: short stacking energy: -714.296 Base-Backbone interact. energy: -3.001 local terms energy: -739.841168 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -133.826 flat angles C4'-P-C4' energy: -163.554 flat angles P-C4'-P energy: -105.501 tors. eta vs tors. theta energy: -199.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2274.382286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.382286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.382286 (E_RNA) where: Base-Base interactions energy: -1547.551 where: short stacking energy: -659.727 Base-Backbone interact. energy: -0.376 local terms energy: -726.455983 where: bonds (distance) C4'-P energy: -141.611 bonds (distance) P-C4' energy: -125.811 flat angles C4'-P-C4' energy: -159.858 flat angles P-C4'-P energy: -109.580 tors. eta vs tors. theta energy: -189.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2205.015064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.015064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.015064 (E_RNA) where: Base-Base interactions energy: -1484.785 where: short stacking energy: -673.059 Base-Backbone interact. energy: -2.268 local terms energy: -717.961293 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -131.816 flat angles C4'-P-C4' energy: -159.410 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -199.437 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: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2006.204423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.204423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.204423 (E_RNA) where: Base-Base interactions energy: -1363.242 where: short stacking energy: -565.278 Base-Backbone interact. energy: 0.332 local terms energy: -643.294669 where: bonds (distance) C4'-P energy: -142.211 bonds (distance) P-C4' energy: -124.357 flat angles C4'-P-C4' energy: -132.919 flat angles P-C4'-P energy: -104.061 tors. eta vs tors. theta energy: -139.748 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: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1725.012363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.012363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.012363 (E_RNA) where: Base-Base interactions energy: -1117.026 where: short stacking energy: -491.153 Base-Backbone interact. energy: -1.101 local terms energy: -606.885083 where: bonds (distance) C4'-P energy: -121.333 bonds (distance) P-C4' energy: -148.787 flat angles C4'-P-C4' energy: -132.476 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -120.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1270.554279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.554279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.554279 (E_RNA) where: Base-Base interactions energy: -775.803 where: short stacking energy: -369.482 Base-Backbone interact. energy: -1.833 local terms energy: -492.917882 where: bonds (distance) C4'-P energy: -126.704 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -120.077 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -50.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -951.269723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.269723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.269723 (E_RNA) where: Base-Base interactions energy: -519.474 where: short stacking energy: -292.005 Base-Backbone interact. energy: 2.518 local terms energy: -434.314206 where: bonds (distance) C4'-P energy: -125.698 bonds (distance) P-C4' energy: -128.723 flat angles C4'-P-C4' energy: -108.300 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -13.678 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: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -715.782352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.782352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.782352 (E_RNA) where: Base-Base interactions energy: -337.172 where: short stacking energy: -193.345 Base-Backbone interact. energy: 2.820 local terms energy: -381.431042 where: bonds (distance) C4'-P energy: -122.351 bonds (distance) P-C4' energy: -108.970 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -39.376 tors. eta vs tors. theta energy: 3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2671.707797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.707797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.707797 (E_RNA) where: Base-Base interactions energy: -1892.497 where: short stacking energy: -796.379 Base-Backbone interact. energy: -2.700 local terms energy: -776.510827 where: bonds (distance) C4'-P energy: -141.109 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -160.856 flat angles P-C4'-P energy: -113.032 tors. eta vs tors. theta energy: -208.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2547.698174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.698174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.698174 (E_RNA) where: Base-Base interactions energy: -1777.334 where: short stacking energy: -734.498 Base-Backbone interact. energy: -0.646 local terms energy: -769.718211 where: bonds (distance) C4'-P energy: -157.702 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -155.834 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -209.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2385.869906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.869906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.869906 (E_RNA) where: Base-Base interactions energy: -1629.683 where: short stacking energy: -718.140 Base-Backbone interact. energy: 0.500 local terms energy: -756.686998 where: bonds (distance) C4'-P energy: -121.536 bonds (distance) P-C4' energy: -156.511 flat angles C4'-P-C4' energy: -168.326 flat angles P-C4'-P energy: -102.620 tors. eta vs tors. theta energy: -207.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2261.598385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.598385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.598385 (E_RNA) where: Base-Base interactions energy: -1546.324 where: short stacking energy: -659.784 Base-Backbone interact. energy: 1.688 local terms energy: -716.962736 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -129.369 flat angles C4'-P-C4' energy: -154.828 flat angles P-C4'-P energy: -113.240 tors. eta vs tors. theta energy: -185.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2195.755886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.755886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.755886 (E_RNA) where: Base-Base interactions energy: -1477.382 where: short stacking energy: -649.524 Base-Backbone interact. energy: 0.011 local terms energy: -718.385412 where: bonds (distance) C4'-P energy: -135.456 bonds (distance) P-C4' energy: -141.216 flat angles C4'-P-C4' energy: -154.739 flat angles P-C4'-P energy: -96.242 tors. eta vs tors. theta energy: -190.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1948.055426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.055426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.055426 (E_RNA) where: Base-Base interactions energy: -1362.800 where: short stacking energy: -556.794 Base-Backbone interact. energy: -2.970 local terms energy: -582.285445 where: bonds (distance) C4'-P energy: -111.282 bonds (distance) P-C4' energy: -120.851 flat angles C4'-P-C4' energy: -146.806 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -124.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1762.872100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.872100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.872100 (E_RNA) where: Base-Base interactions energy: -1174.808 where: short stacking energy: -507.263 Base-Backbone interact. energy: -2.081 local terms energy: -585.983779 where: bonds (distance) C4'-P energy: -126.804 bonds (distance) P-C4' energy: -122.862 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -76.927 tors. eta vs tors. theta energy: -119.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1342.247373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.247373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.247373 (E_RNA) where: Base-Base interactions energy: -808.780 where: short stacking energy: -399.368 Base-Backbone interact. energy: -2.860 local terms energy: -530.607123 where: bonds (distance) C4'-P energy: -129.019 bonds (distance) P-C4' energy: -143.321 flat angles C4'-P-C4' energy: -123.933 flat angles P-C4'-P energy: -83.619 tors. eta vs tors. theta energy: -50.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1033.268557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.268557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.268557 (E_RNA) where: Base-Base interactions energy: -600.352 where: short stacking energy: -303.471 Base-Backbone interact. energy: 0.740 local terms energy: -433.656439 where: bonds (distance) C4'-P energy: -111.747 bonds (distance) P-C4' energy: -133.468 flat angles C4'-P-C4' energy: -114.423 flat angles P-C4'-P energy: -43.503 tors. eta vs tors. theta energy: -30.515 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: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -671.721732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.721732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.721732 (E_RNA) where: Base-Base interactions energy: -268.573 where: short stacking energy: -190.620 Base-Backbone interact. energy: 1.423 local terms energy: -404.571978 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -117.346 flat angles C4'-P-C4' energy: -109.819 flat angles P-C4'-P energy: -68.255 tors. eta vs tors. theta energy: 7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2702.256982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.256982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.256982 (E_RNA) where: Base-Base interactions energy: -1918.930 where: short stacking energy: -793.932 Base-Backbone interact. energy: 0.106 local terms energy: -783.432466 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -149.964 flat angles C4'-P-C4' energy: -163.004 flat angles P-C4'-P energy: -112.920 tors. eta vs tors. theta energy: -210.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2577.886409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.886409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.886409 (E_RNA) where: Base-Base interactions energy: -1814.859 where: short stacking energy: -733.264 Base-Backbone interact. energy: -2.379 local terms energy: -760.648753 where: bonds (distance) C4'-P energy: -145.371 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -97.365 tors. eta vs tors. theta energy: -219.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2387.848797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.848797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.848797 (E_RNA) where: Base-Base interactions energy: -1666.961 where: short stacking energy: -730.207 Base-Backbone interact. energy: 4.620 local terms energy: -725.507529 where: bonds (distance) C4'-P energy: -129.872 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -148.053 flat angles P-C4'-P energy: -115.792 tors. eta vs tors. theta energy: -199.827 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: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2235.465776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.465776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.465776 (E_RNA) where: Base-Base interactions energy: -1523.199 where: short stacking energy: -659.192 Base-Backbone interact. energy: -1.495 local terms energy: -710.771364 where: bonds (distance) C4'-P energy: -139.732 bonds (distance) P-C4' energy: -140.236 flat angles C4'-P-C4' energy: -136.814 flat angles P-C4'-P energy: -104.105 tors. eta vs tors. theta energy: -189.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2158.803219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.803219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.803219 (E_RNA) where: Base-Base interactions energy: -1459.834 where: short stacking energy: -647.286 Base-Backbone interact. energy: -0.836 local terms energy: -698.133140 where: bonds (distance) C4'-P energy: -122.881 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -159.866 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -187.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1968.407442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.407442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.407442 (E_RNA) where: Base-Base interactions energy: -1346.420 where: short stacking energy: -555.991 Base-Backbone interact. energy: 0.766 local terms energy: -622.753799 where: bonds (distance) C4'-P energy: -119.196 bonds (distance) P-C4' energy: -138.549 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -101.278 tors. eta vs tors. theta energy: -139.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1758.417686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.417686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.417686 (E_RNA) where: Base-Base interactions energy: -1148.442 where: short stacking energy: -501.874 Base-Backbone interact. energy: -3.457 local terms energy: -606.518884 where: bonds (distance) C4'-P energy: -113.773 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -132.861 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -136.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1282.835826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.835826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.835826 (E_RNA) where: Base-Base interactions energy: -775.484 where: short stacking energy: -360.390 Base-Backbone interact. energy: -4.096 local terms energy: -503.255602 where: bonds (distance) C4'-P energy: -136.373 bonds (distance) P-C4' energy: -118.303 flat angles C4'-P-C4' energy: -122.704 flat angles P-C4'-P energy: -75.706 tors. eta vs tors. theta energy: -50.169 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: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1014.218307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.218307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.218307 (E_RNA) where: Base-Base interactions energy: -560.233 where: short stacking energy: -288.371 Base-Backbone interact. energy: 4.113 local terms energy: -458.098101 where: bonds (distance) C4'-P energy: -124.090 bonds (distance) P-C4' energy: -124.001 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -23.411 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: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -638.343752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.343752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.343752 (E_RNA) where: Base-Base interactions energy: -257.764 where: short stacking energy: -171.561 Base-Backbone interact. energy: -1.308 local terms energy: -379.271088 where: bonds (distance) C4'-P energy: -106.247 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -112.791 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: 26.243 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: 1, replica: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2700.071871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.071871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.071871 (E_RNA) where: Base-Base interactions energy: -1912.790 where: short stacking energy: -774.077 Base-Backbone interact. energy: 0.664 local terms energy: -787.945518 where: bonds (distance) C4'-P energy: -141.602 bonds (distance) P-C4' energy: -151.155 flat angles C4'-P-C4' energy: -171.680 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -212.045 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: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2583.437386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.437386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.437386 (E_RNA) where: Base-Base interactions energy: -1820.820 where: short stacking energy: -756.032 Base-Backbone interact. energy: -4.460 local terms energy: -758.157564 where: bonds (distance) C4'-P energy: -135.784 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -164.425 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -214.186 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: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2348.032559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.032559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.032559 (E_RNA) where: Base-Base interactions energy: -1610.543 where: short stacking energy: -739.525 Base-Backbone interact. energy: -0.995 local terms energy: -736.494026 where: bonds (distance) C4'-P energy: -127.812 bonds (distance) P-C4' energy: -122.201 flat angles C4'-P-C4' energy: -151.735 flat angles P-C4'-P energy: -126.941 tors. eta vs tors. theta energy: -207.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2239.026397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.026397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.026397 (E_RNA) where: Base-Base interactions energy: -1536.457 where: short stacking energy: -648.554 Base-Backbone interact. energy: -3.229 local terms energy: -699.340065 where: bonds (distance) C4'-P energy: -123.315 bonds (distance) P-C4' energy: -129.086 flat angles C4'-P-C4' energy: -151.413 flat angles P-C4'-P energy: -108.266 tors. eta vs tors. theta energy: -187.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2137.030356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.030356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.030356 (E_RNA) where: Base-Base interactions energy: -1405.448 where: short stacking energy: -643.131 Base-Backbone interact. energy: -1.539 local terms energy: -730.043685 where: bonds (distance) C4'-P energy: -137.713 bonds (distance) P-C4' energy: -143.186 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -98.512 tors. eta vs tors. theta energy: -182.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1966.242668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.242668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.242668 (E_RNA) where: Base-Base interactions energy: -1336.696 where: short stacking energy: -530.694 Base-Backbone interact. energy: -0.490 local terms energy: -629.056792 where: bonds (distance) C4'-P energy: -126.586 bonds (distance) P-C4' energy: -131.108 flat angles C4'-P-C4' energy: -159.196 flat angles P-C4'-P energy: -83.694 tors. eta vs tors. theta energy: -128.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1762.936264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.936264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.936264 (E_RNA) where: Base-Base interactions energy: -1189.123 where: short stacking energy: -498.925 Base-Backbone interact. energy: 0.521 local terms energy: -574.334245 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -113.902 flat angles C4'-P-C4' energy: -121.031 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -116.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1248.574982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.574982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.574982 (E_RNA) where: Base-Base interactions energy: -725.187 where: short stacking energy: -374.868 Base-Backbone interact. energy: 1.086 local terms energy: -524.473757 where: bonds (distance) C4'-P energy: -121.419 bonds (distance) P-C4' energy: -136.909 flat angles C4'-P-C4' energy: -127.050 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -49.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -978.183875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.183875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.183875 (E_RNA) where: Base-Base interactions energy: -536.011 where: short stacking energy: -297.488 Base-Backbone interact. energy: 1.331 local terms energy: -443.504324 where: bonds (distance) C4'-P energy: -109.526 bonds (distance) P-C4' energy: -120.070 flat angles C4'-P-C4' energy: -94.720 flat angles P-C4'-P energy: -87.996 tors. eta vs tors. theta energy: -31.192 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: 211 Temperature: 1.350000 Total energy: -626.286920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.286920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.286920 (E_RNA) where: Base-Base interactions energy: -260.088 where: short stacking energy: -164.326 Base-Backbone interact. energy: -2.022 local terms energy: -364.177301 where: bonds (distance) C4'-P energy: -98.981 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -107.238 flat angles P-C4'-P energy: -63.460 tors. eta vs tors. theta energy: 36.861 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: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2683.234921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.234921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.234921 (E_RNA) where: Base-Base interactions energy: -1854.518 where: short stacking energy: -781.487 Base-Backbone interact. energy: -1.601 local terms energy: -827.115803 where: bonds (distance) C4'-P energy: -149.125 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -181.723 flat angles P-C4'-P energy: -128.668 tors. eta vs tors. theta energy: -213.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2593.147456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.147456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.147456 (E_RNA) where: Base-Base interactions energy: -1838.557 where: short stacking energy: -729.978 Base-Backbone interact. energy: -3.559 local terms energy: -751.031568 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -156.696 flat angles P-C4'-P energy: -113.875 tors. eta vs tors. theta energy: -203.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2396.224870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.224870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.224870 (E_RNA) where: Base-Base interactions energy: -1651.261 where: short stacking energy: -722.611 Base-Backbone interact. energy: 1.773 local terms energy: -746.736935 where: bonds (distance) C4'-P energy: -139.932 bonds (distance) P-C4' energy: -136.950 flat angles C4'-P-C4' energy: -156.550 flat angles P-C4'-P energy: -105.881 tors. eta vs tors. theta energy: -207.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2233.790652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.790652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.790652 (E_RNA) where: Base-Base interactions energy: -1501.398 where: short stacking energy: -613.573 Base-Backbone interact. energy: -4.469 local terms energy: -727.923185 where: bonds (distance) C4'-P energy: -127.715 bonds (distance) P-C4' energy: -159.510 flat angles C4'-P-C4' energy: -144.276 flat angles P-C4'-P energy: -112.969 tors. eta vs tors. theta energy: -183.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2153.969535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.969535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.969535 (E_RNA) where: Base-Base interactions energy: -1445.886 where: short stacking energy: -661.511 Base-Backbone interact. energy: -3.570 local terms energy: -704.513245 where: bonds (distance) C4'-P energy: -123.527 bonds (distance) P-C4' energy: -146.116 flat angles C4'-P-C4' energy: -153.953 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -176.206 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: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1963.017742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.017742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.017742 (E_RNA) where: Base-Base interactions energy: -1353.922 where: short stacking energy: -565.938 Base-Backbone interact. energy: 0.847 local terms energy: -609.942705 where: bonds (distance) C4'-P energy: -115.266 bonds (distance) P-C4' energy: -125.671 flat angles C4'-P-C4' energy: -147.157 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -147.217 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: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1835.851561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.851561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.851561 (E_RNA) where: Base-Base interactions energy: -1211.038 where: short stacking energy: -527.201 Base-Backbone interact. energy: -1.341 local terms energy: -623.472850 where: bonds (distance) C4'-P energy: -138.844 bonds (distance) P-C4' energy: -140.082 flat angles C4'-P-C4' energy: -124.764 flat angles P-C4'-P energy: -74.718 tors. eta vs tors. theta energy: -145.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1299.423576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.423576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.423576 (E_RNA) where: Base-Base interactions energy: -772.599 where: short stacking energy: -370.383 Base-Backbone interact. energy: -0.961 local terms energy: -525.863933 where: bonds (distance) C4'-P energy: -120.072 bonds (distance) P-C4' energy: -149.735 flat angles C4'-P-C4' energy: -115.537 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -65.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -947.979752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.979752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.979752 (E_RNA) where: Base-Base interactions energy: -511.223 where: short stacking energy: -264.322 Base-Backbone interact. energy: 1.926 local terms energy: -438.683398 where: bonds (distance) C4'-P energy: -118.173 bonds (distance) P-C4' energy: -114.536 flat angles C4'-P-C4' energy: -114.808 flat angles P-C4'-P energy: -76.739 tors. eta vs tors. theta energy: -14.428 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: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -588.863961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.863961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.863961 (E_RNA) where: Base-Base interactions energy: -212.975 where: short stacking energy: -169.746 Base-Backbone interact. energy: 2.837 local terms energy: -378.725937 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -133.336 flat angles C4'-P-C4' energy: -80.496 flat angles P-C4'-P energy: -76.111 tors. eta vs tors. theta energy: 25.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2680.832546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.832546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.832546 (E_RNA) where: Base-Base interactions energy: -1893.995 where: short stacking energy: -740.175 Base-Backbone interact. energy: -1.415 local terms energy: -785.422647 where: bonds (distance) C4'-P energy: -148.474 bonds (distance) P-C4' energy: -139.770 flat angles C4'-P-C4' energy: -165.595 flat angles P-C4'-P energy: -120.191 tors. eta vs tors. theta energy: -211.394 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: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2578.386027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.386027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.386027 (E_RNA) where: Base-Base interactions energy: -1833.886 where: short stacking energy: -731.139 Base-Backbone interact. energy: 1.494 local terms energy: -745.994254 where: bonds (distance) C4'-P energy: -143.777 bonds (distance) P-C4' energy: -148.825 flat angles C4'-P-C4' energy: -152.539 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -202.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2423.049646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.049646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.049646 (E_RNA) where: Base-Base interactions energy: -1669.643 where: short stacking energy: -718.408 Base-Backbone interact. energy: -2.845 local terms energy: -750.560854 where: bonds (distance) C4'-P energy: -119.591 bonds (distance) P-C4' energy: -137.160 flat angles C4'-P-C4' energy: -168.653 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -219.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2273.167583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.167583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.167583 (E_RNA) where: Base-Base interactions energy: -1576.607 where: short stacking energy: -664.666 Base-Backbone interact. energy: -3.445 local terms energy: -693.114948 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -160.083 flat angles C4'-P-C4' energy: -151.322 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -183.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2145.217190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.217190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.217190 (E_RNA) where: Base-Base interactions energy: -1464.374 where: short stacking energy: -639.898 Base-Backbone interact. energy: -2.092 local terms energy: -678.751353 where: bonds (distance) C4'-P energy: -121.065 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -93.991 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: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1952.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.977127 (E_RNA) where: Base-Base interactions energy: -1325.583 where: short stacking energy: -559.578 Base-Backbone interact. energy: -1.234 local terms energy: -626.160080 where: bonds (distance) C4'-P energy: -125.816 bonds (distance) P-C4' energy: -130.009 flat angles C4'-P-C4' energy: -142.059 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -136.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1819.424291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.424291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.424291 (E_RNA) where: Base-Base interactions energy: -1197.812 where: short stacking energy: -508.641 Base-Backbone interact. energy: -1.734 local terms energy: -619.878100 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -118.676 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -102.283 tors. eta vs tors. theta energy: -143.077 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1388.657172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.657172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.657172 (E_RNA) where: Base-Base interactions energy: -873.675 where: short stacking energy: -417.552 Base-Backbone interact. energy: -1.994 local terms energy: -512.987850 where: bonds (distance) C4'-P energy: -108.930 bonds (distance) P-C4' energy: -115.380 flat angles C4'-P-C4' energy: -130.425 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: -81.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1024.077831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.077831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.077831 (E_RNA) where: Base-Base interactions energy: -570.492 where: short stacking energy: -265.350 Base-Backbone interact. energy: 2.505 local terms energy: -456.091288 where: bonds (distance) C4'-P energy: -113.531 bonds (distance) P-C4' energy: -131.846 flat angles C4'-P-C4' energy: -127.220 flat angles P-C4'-P energy: -65.609 tors. eta vs tors. theta energy: -17.886 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: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -591.619073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.619073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.619073 (E_RNA) where: Base-Base interactions energy: -212.011 where: short stacking energy: -172.527 Base-Backbone interact. energy: 3.449 local terms energy: -383.057179 where: bonds (distance) C4'-P energy: -105.060 bonds (distance) P-C4' energy: -137.632 flat angles C4'-P-C4' energy: -104.236 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: 12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2621.445991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.445991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.445991 (E_RNA) where: Base-Base interactions energy: -1818.904 where: short stacking energy: -726.076 Base-Backbone interact. energy: -3.285 local terms energy: -799.256631 where: bonds (distance) C4'-P energy: -145.130 bonds (distance) P-C4' energy: -155.861 flat angles C4'-P-C4' energy: -173.595 flat angles P-C4'-P energy: -113.356 tors. eta vs tors. theta energy: -211.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2538.146006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.146006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.146006 (E_RNA) where: Base-Base interactions energy: -1803.497 where: short stacking energy: -738.064 Base-Backbone interact. energy: 2.453 local terms energy: -737.102881 where: bonds (distance) C4'-P energy: -139.078 bonds (distance) P-C4' energy: -134.399 flat angles C4'-P-C4' energy: -162.866 flat angles P-C4'-P energy: -90.865 tors. eta vs tors. theta energy: -209.895 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2410.914546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.914546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.914546 (E_RNA) where: Base-Base interactions energy: -1642.910 where: short stacking energy: -713.305 Base-Backbone interact. energy: -2.879 local terms energy: -765.125540 where: bonds (distance) C4'-P energy: -136.121 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -163.006 flat angles P-C4'-P energy: -109.155 tors. eta vs tors. theta energy: -205.616 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: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2235.457504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.457504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.457504 (E_RNA) where: Base-Base interactions energy: -1566.225 where: short stacking energy: -614.852 Base-Backbone interact. energy: 1.828 local terms energy: -671.060802 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -154.731 flat angles C4'-P-C4' energy: -146.210 flat angles P-C4'-P energy: -82.073 tors. eta vs tors. theta energy: -162.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2193.041798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.041798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.041798 (E_RNA) where: Base-Base interactions energy: -1475.651 where: short stacking energy: -666.175 Base-Backbone interact. energy: -3.121 local terms energy: -714.269687 where: bonds (distance) C4'-P energy: -114.807 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -161.912 flat angles P-C4'-P energy: -103.392 tors. eta vs tors. theta energy: -203.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1964.569070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.569070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.569070 (E_RNA) where: Base-Base interactions energy: -1359.753 where: short stacking energy: -579.337 Base-Backbone interact. energy: -2.871 local terms energy: -601.944963 where: bonds (distance) C4'-P energy: -114.763 bonds (distance) P-C4' energy: -106.953 flat angles C4'-P-C4' energy: -127.878 flat angles P-C4'-P energy: -104.782 tors. eta vs tors. theta energy: -147.569 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: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1776.578986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.578986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.578986 (E_RNA) where: Base-Base interactions energy: -1180.954 where: short stacking energy: -517.941 Base-Backbone interact. energy: 0.048 local terms energy: -595.672872 where: bonds (distance) C4'-P energy: -130.961 bonds (distance) P-C4' energy: -110.504 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -77.037 tors. eta vs tors. theta energy: -137.368 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: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1440.377956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.377956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.377956 (E_RNA) where: Base-Base interactions energy: -887.937 where: short stacking energy: -409.554 Base-Backbone interact. energy: -0.926 local terms energy: -551.515031 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -141.624 flat angles C4'-P-C4' energy: -132.185 flat angles P-C4'-P energy: -53.160 tors. eta vs tors. theta energy: -88.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1082.984485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.984485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.984485 (E_RNA) where: Base-Base interactions energy: -639.770 where: short stacking energy: -323.196 Base-Backbone interact. energy: 0.397 local terms energy: -443.611022 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -125.643 flat angles C4'-P-C4' energy: -95.779 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -57.162 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: 214 Temperature: 1.350000 Total energy: -710.921187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.921187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.921187 (E_RNA) where: Base-Base interactions energy: -345.752 where: short stacking energy: -209.970 Base-Backbone interact. energy: -2.002 local terms energy: -363.166356 where: bonds (distance) C4'-P energy: -112.596 bonds (distance) P-C4' energy: -108.122 flat angles C4'-P-C4' energy: -112.582 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: 19.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2633.535940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.535940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.535940 (E_RNA) where: Base-Base interactions energy: -1843.070 where: short stacking energy: -763.550 Base-Backbone interact. energy: 1.652 local terms energy: -792.117626 where: bonds (distance) C4'-P energy: -140.894 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -168.198 flat angles P-C4'-P energy: -118.687 tors. eta vs tors. theta energy: -213.193 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: 215 Temperature: 0.950000 Total energy: -2564.609381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.609381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.609381 (E_RNA) where: Base-Base interactions energy: -1805.422 where: short stacking energy: -722.620 Base-Backbone interact. energy: -1.589 local terms energy: -757.598508 where: bonds (distance) C4'-P energy: -137.810 bonds (distance) P-C4' energy: -157.376 flat angles C4'-P-C4' energy: -163.693 flat angles P-C4'-P energy: -97.867 tors. eta vs tors. theta energy: -200.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2437.285541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.285541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.285541 (E_RNA) where: Base-Base interactions energy: -1705.565 where: short stacking energy: -752.755 Base-Backbone interact. energy: 1.362 local terms energy: -733.082369 where: bonds (distance) C4'-P energy: -134.704 bonds (distance) P-C4' energy: -123.203 flat angles C4'-P-C4' energy: -153.264 flat angles P-C4'-P energy: -113.690 tors. eta vs tors. theta energy: -208.220 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: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2268.327142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.327142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.327142 (E_RNA) where: Base-Base interactions energy: -1541.018 where: short stacking energy: -648.579 Base-Backbone interact. energy: 2.869 local terms energy: -730.178721 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -136.109 flat angles C4'-P-C4' energy: -169.859 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -184.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2223.887453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.887453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.887453 (E_RNA) where: Base-Base interactions energy: -1521.391 where: short stacking energy: -699.268 Base-Backbone interact. energy: -2.342 local terms energy: -700.154487 where: bonds (distance) C4'-P energy: -120.954 bonds (distance) P-C4' energy: -131.158 flat angles C4'-P-C4' energy: -153.539 flat angles P-C4'-P energy: -95.822 tors. eta vs tors. theta energy: -198.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1883.052283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.052283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.052283 (E_RNA) where: Base-Base interactions energy: -1226.503 where: short stacking energy: -559.340 Base-Backbone interact. energy: -4.621 local terms energy: -651.928258 where: bonds (distance) C4'-P energy: -115.543 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -143.662 flat angles P-C4'-P energy: -115.208 tors. eta vs tors. theta energy: -152.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1889.933094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.933094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.933094 (E_RNA) where: Base-Base interactions energy: -1279.856 where: short stacking energy: -525.186 Base-Backbone interact. energy: -0.197 local terms energy: -609.880235 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -137.111 flat angles P-C4'-P energy: -84.067 tors. eta vs tors. theta energy: -134.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1479.958026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.958026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.958026 (E_RNA) where: Base-Base interactions energy: -952.490 where: short stacking energy: -435.317 Base-Backbone interact. energy: -0.293 local terms energy: -527.174793 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -121.461 flat angles C4'-P-C4' energy: -101.941 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -86.984 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1110.706519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.706519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.706519 (E_RNA) where: Base-Base interactions energy: -607.885 where: short stacking energy: -311.367 Base-Backbone interact. energy: -2.571 local terms energy: -500.250977 where: bonds (distance) C4'-P energy: -118.595 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -116.020 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -52.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -588.846443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.846443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.846443 (E_RNA) where: Base-Base interactions energy: -220.272 where: short stacking energy: -143.461 Base-Backbone interact. energy: 9.446 local terms energy: -378.019960 where: bonds (distance) C4'-P energy: -121.463 bonds (distance) P-C4' energy: -140.407 flat angles C4'-P-C4' energy: -94.570 flat angles P-C4'-P energy: -62.336 tors. eta vs tors. theta energy: 40.755 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2622.052672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.052672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.052672 (E_RNA) where: Base-Base interactions energy: -1823.157 where: short stacking energy: -739.540 Base-Backbone interact. energy: -3.389 local terms energy: -795.507427 where: bonds (distance) C4'-P energy: -150.305 bonds (distance) P-C4' energy: -153.984 flat angles C4'-P-C4' energy: -167.771 flat angles P-C4'-P energy: -109.364 tors. eta vs tors. theta energy: -214.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2533.056155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.056155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.056155 (E_RNA) where: Base-Base interactions energy: -1763.681 where: short stacking energy: -687.891 Base-Backbone interact. energy: -3.128 local terms energy: -766.247351 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -175.679 flat angles P-C4'-P energy: -112.555 tors. eta vs tors. theta energy: -190.917 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: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2457.618917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.618917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.618917 (E_RNA) where: Base-Base interactions energy: -1695.747 where: short stacking energy: -735.663 Base-Backbone interact. energy: -2.206 local terms energy: -759.665430 where: bonds (distance) C4'-P energy: -128.867 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -172.260 flat angles P-C4'-P energy: -104.746 tors. eta vs tors. theta energy: -207.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2237.606785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.606785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.606785 (E_RNA) where: Base-Base interactions energy: -1519.978 where: short stacking energy: -661.073 Base-Backbone interact. energy: 0.790 local terms energy: -718.418801 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -137.372 flat angles C4'-P-C4' energy: -170.699 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -181.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2169.135925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.135925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.135925 (E_RNA) where: Base-Base interactions energy: -1453.243 where: short stacking energy: -667.083 Base-Backbone interact. energy: -1.290 local terms energy: -714.602523 where: bonds (distance) C4'-P energy: -129.653 bonds (distance) P-C4' energy: -133.264 flat angles C4'-P-C4' energy: -147.035 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -202.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1861.791608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.791608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.791608 (E_RNA) where: Base-Base interactions energy: -1216.197 where: short stacking energy: -534.185 Base-Backbone interact. energy: 2.217 local terms energy: -647.811362 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -134.591 flat angles C4'-P-C4' energy: -136.166 flat angles P-C4'-P energy: -106.822 tors. eta vs tors. theta energy: -140.926 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: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1859.603531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.603531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.603531 (E_RNA) where: Base-Base interactions energy: -1266.080 where: short stacking energy: -542.793 Base-Backbone interact. energy: -2.280 local terms energy: -591.243090 where: bonds (distance) C4'-P energy: -122.461 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -129.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1466.627665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.627665 (E_RNA) where: Base-Base interactions energy: -939.838 where: short stacking energy: -405.770 Base-Backbone interact. energy: 1.015 local terms energy: -527.804777 where: bonds (distance) C4'-P energy: -116.971 bonds (distance) P-C4' energy: -123.138 flat angles C4'-P-C4' energy: -130.988 flat angles P-C4'-P energy: -81.218 tors. eta vs tors. theta energy: -75.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1082.562242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.562242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.562242 (E_RNA) where: Base-Base interactions energy: -626.245 where: short stacking energy: -305.601 Base-Backbone interact. energy: -3.889 local terms energy: -452.427630 where: bonds (distance) C4'-P energy: -107.487 bonds (distance) P-C4' energy: -127.418 flat angles C4'-P-C4' energy: -104.035 flat angles P-C4'-P energy: -73.178 tors. eta vs tors. theta energy: -40.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -595.847214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.847214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.847214 (E_RNA) where: Base-Base interactions energy: -210.386 where: short stacking energy: -172.775 Base-Backbone interact. energy: 4.993 local terms energy: -390.453868 where: bonds (distance) C4'-P energy: -104.289 bonds (distance) P-C4' energy: -146.028 flat angles C4'-P-C4' energy: -108.724 flat angles P-C4'-P energy: -63.506 tors. eta vs tors. theta energy: 32.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2608.579808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.579808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.579808 (E_RNA) where: Base-Base interactions energy: -1820.894 where: short stacking energy: -744.627 Base-Backbone interact. energy: -6.667 local terms energy: -781.018798 where: bonds (distance) C4'-P energy: -149.146 bonds (distance) P-C4' energy: -163.940 flat angles C4'-P-C4' energy: -166.815 flat angles P-C4'-P energy: -109.969 tors. eta vs tors. theta energy: -191.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2531.944930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.944930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.944930 (E_RNA) where: Base-Base interactions energy: -1774.035 where: short stacking energy: -685.506 Base-Backbone interact. energy: -3.441 local terms energy: -754.469308 where: bonds (distance) C4'-P energy: -133.125 bonds (distance) P-C4' energy: -160.742 flat angles C4'-P-C4' energy: -178.476 flat angles P-C4'-P energy: -96.157 tors. eta vs tors. theta energy: -185.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2487.542989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.542989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.542989 (E_RNA) where: Base-Base interactions energy: -1706.804 where: short stacking energy: -752.703 Base-Backbone interact. energy: -4.074 local terms energy: -776.665805 where: bonds (distance) C4'-P energy: -137.036 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -168.987 flat angles P-C4'-P energy: -114.354 tors. eta vs tors. theta energy: -221.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2267.681928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.681928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.681928 (E_RNA) where: Base-Base interactions energy: -1532.100 where: short stacking energy: -660.457 Base-Backbone interact. energy: -2.916 local terms energy: -732.666196 where: bonds (distance) C4'-P energy: -137.490 bonds (distance) P-C4' energy: -142.747 flat angles C4'-P-C4' energy: -154.233 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -206.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2163.405344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.405344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.405344 (E_RNA) where: Base-Base interactions energy: -1510.332 where: short stacking energy: -623.624 Base-Backbone interact. energy: -0.682 local terms energy: -652.391816 where: bonds (distance) C4'-P energy: -128.595 bonds (distance) P-C4' energy: -131.212 flat angles C4'-P-C4' energy: -146.721 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -170.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1967.752122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.752122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.752122 (E_RNA) where: Base-Base interactions energy: -1352.822 where: short stacking energy: -547.610 Base-Backbone interact. energy: -3.632 local terms energy: -611.298050 where: bonds (distance) C4'-P energy: -130.097 bonds (distance) P-C4' energy: -125.142 flat angles C4'-P-C4' energy: -132.460 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -145.748 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: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1823.693432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.693432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.693432 (E_RNA) where: Base-Base interactions energy: -1209.815 where: short stacking energy: -520.304 Base-Backbone interact. energy: -3.220 local terms energy: -610.657934 where: bonds (distance) C4'-P energy: -130.249 bonds (distance) P-C4' energy: -142.605 flat angles C4'-P-C4' energy: -130.922 flat angles P-C4'-P energy: -77.142 tors. eta vs tors. theta energy: -129.740 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: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1467.503397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.503397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.503397 (E_RNA) where: Base-Base interactions energy: -945.389 where: short stacking energy: -391.087 Base-Backbone interact. energy: 8.161 local terms energy: -530.275592 where: bonds (distance) C4'-P energy: -119.459 bonds (distance) P-C4' energy: -118.075 flat angles C4'-P-C4' energy: -133.670 flat angles P-C4'-P energy: -76.434 tors. eta vs tors. theta energy: -82.638 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: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -985.061048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.061048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.061048 (E_RNA) where: Base-Base interactions energy: -566.657 where: short stacking energy: -270.994 Base-Backbone interact. energy: -2.616 local terms energy: -415.787905 where: bonds (distance) C4'-P energy: -121.035 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -78.185 tors. eta vs tors. theta energy: 9.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -574.040622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.040622 (E_RNA) where: Base-Base interactions energy: -197.694 where: short stacking energy: -162.014 Base-Backbone interact. energy: 5.499 local terms energy: -381.844852 where: bonds (distance) C4'-P energy: -107.807 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -92.512 flat angles P-C4'-P energy: -72.441 tors. eta vs tors. theta energy: 18.848 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: 218 Temperature: 0.900000 Total energy: -2640.411717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.411717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.411717 (E_RNA) where: Base-Base interactions energy: -1835.550 where: short stacking energy: -751.289 Base-Backbone interact. energy: 0.411 local terms energy: -805.272721 where: bonds (distance) C4'-P energy: -151.286 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -169.685 flat angles P-C4'-P energy: -125.757 tors. eta vs tors. theta energy: -203.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2559.821355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.821355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.821355 (E_RNA) where: Base-Base interactions energy: -1787.469 where: short stacking energy: -713.136 Base-Backbone interact. energy: -6.213 local terms energy: -766.139673 where: bonds (distance) C4'-P energy: -127.284 bonds (distance) P-C4' energy: -165.141 flat angles C4'-P-C4' energy: -167.734 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -196.837 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: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2479.805436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.805436 (E_RNA) where: Base-Base interactions energy: -1701.502 where: short stacking energy: -724.954 Base-Backbone interact. energy: -0.966 local terms energy: -777.336855 where: bonds (distance) C4'-P energy: -140.430 bonds (distance) P-C4' energy: -156.276 flat angles C4'-P-C4' energy: -162.946 flat angles P-C4'-P energy: -111.571 tors. eta vs tors. theta energy: -206.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2245.572549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.572549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.572549 (E_RNA) where: Base-Base interactions energy: -1519.619 where: short stacking energy: -673.214 Base-Backbone interact. energy: 0.174 local terms energy: -726.128255 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -140.561 flat angles C4'-P-C4' energy: -159.583 flat angles P-C4'-P energy: -85.502 tors. eta vs tors. theta energy: -199.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2149.594777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.594777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.594777 (E_RNA) where: Base-Base interactions energy: -1509.823 where: short stacking energy: -627.663 Base-Backbone interact. energy: 5.243 local terms energy: -645.015417 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -112.672 flat angles C4'-P-C4' energy: -149.294 flat angles P-C4'-P energy: -80.391 tors. eta vs tors. theta energy: -171.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1939.606289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.606289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.606289 (E_RNA) where: Base-Base interactions energy: -1313.018 where: short stacking energy: -545.308 Base-Backbone interact. energy: -4.924 local terms energy: -621.664622 where: bonds (distance) C4'-P energy: -145.357 bonds (distance) P-C4' energy: -131.498 flat angles C4'-P-C4' energy: -135.415 flat angles P-C4'-P energy: -78.986 tors. eta vs tors. theta energy: -130.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1827.366996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.366996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.366996 (E_RNA) where: Base-Base interactions energy: -1232.749 where: short stacking energy: -514.141 Base-Backbone interact. energy: -3.837 local terms energy: -590.780684 where: bonds (distance) C4'-P energy: -118.404 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -121.047 flat angles P-C4'-P energy: -87.802 tors. eta vs tors. theta energy: -126.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1476.274371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.274371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.274371 (E_RNA) where: Base-Base interactions energy: -931.382 where: short stacking energy: -409.985 Base-Backbone interact. energy: -1.064 local terms energy: -543.828608 where: bonds (distance) C4'-P energy: -125.188 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -133.371 flat angles P-C4'-P energy: -73.811 tors. eta vs tors. theta energy: -82.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1112.251938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.251938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.251938 (E_RNA) where: Base-Base interactions energy: -663.419 where: short stacking energy: -315.008 Base-Backbone interact. energy: -2.250 local terms energy: -446.582574 where: bonds (distance) C4'-P energy: -124.226 bonds (distance) P-C4' energy: -130.694 flat angles C4'-P-C4' energy: -104.997 flat angles P-C4'-P energy: -68.926 tors. eta vs tors. theta energy: -17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -608.393059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.393059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.393059 (E_RNA) where: Base-Base interactions energy: -239.448 where: short stacking energy: -196.001 Base-Backbone interact. energy: 2.937 local terms energy: -371.881850 where: bonds (distance) C4'-P energy: -101.909 bonds (distance) P-C4' energy: -129.924 flat angles C4'-P-C4' energy: -97.941 flat angles P-C4'-P energy: -55.978 tors. eta vs tors. theta energy: 13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2664.201308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.201308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.201308 (E_RNA) where: Base-Base interactions energy: -1858.861 where: short stacking energy: -766.865 Base-Backbone interact. energy: -5.670 local terms energy: -799.669909 where: bonds (distance) C4'-P energy: -144.635 bonds (distance) P-C4' energy: -150.875 flat angles C4'-P-C4' energy: -176.588 flat angles P-C4'-P energy: -114.215 tors. eta vs tors. theta energy: -213.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2563.064318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.064318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.064318 (E_RNA) where: Base-Base interactions energy: -1789.466 where: short stacking energy: -706.215 Base-Backbone interact. energy: -4.067 local terms energy: -769.531301 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -153.323 flat angles C4'-P-C4' energy: -170.238 flat angles P-C4'-P energy: -101.169 tors. eta vs tors. theta energy: -193.263 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: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2512.651689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.651689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.651689 (E_RNA) where: Base-Base interactions energy: -1726.346 where: short stacking energy: -748.325 Base-Backbone interact. energy: -0.143 local terms energy: -786.162287 where: bonds (distance) C4'-P energy: -132.452 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -171.207 flat angles P-C4'-P energy: -113.132 tors. eta vs tors. theta energy: -222.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2219.384845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.384845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.384845 (E_RNA) where: Base-Base interactions energy: -1528.944 where: short stacking energy: -665.945 Base-Backbone interact. energy: -4.409 local terms energy: -686.032194 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -160.810 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -175.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2189.046982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.046982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.046982 (E_RNA) where: Base-Base interactions energy: -1494.014 where: short stacking energy: -658.928 Base-Backbone interact. energy: -2.025 local terms energy: -693.007239 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -153.655 flat angles P-C4'-P energy: -101.487 tors. eta vs tors. theta energy: -189.366 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1992.700381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.700381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.700381 (E_RNA) where: Base-Base interactions energy: -1348.847 where: short stacking energy: -580.229 Base-Backbone interact. energy: 1.051 local terms energy: -644.903659 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -154.237 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -140.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1816.977015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.977015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.977015 (E_RNA) where: Base-Base interactions energy: -1215.319 where: short stacking energy: -529.174 Base-Backbone interact. energy: -2.675 local terms energy: -598.983616 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -120.579 flat angles P-C4'-P energy: -106.086 tors. eta vs tors. theta energy: -137.268 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: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1456.274987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.274987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.274987 (E_RNA) where: Base-Base interactions energy: -917.324 where: short stacking energy: -412.668 Base-Backbone interact. energy: 1.052 local terms energy: -540.002554 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -78.885 tors. eta vs tors. theta energy: -77.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1161.173879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.173879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.173879 (E_RNA) where: Base-Base interactions energy: -724.927 where: short stacking energy: -326.618 Base-Backbone interact. energy: 1.124 local terms energy: -437.370386 where: bonds (distance) C4'-P energy: -116.816 bonds (distance) P-C4' energy: -140.128 flat angles C4'-P-C4' energy: -99.882 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -36.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -586.266470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.266470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.266470 (E_RNA) where: Base-Base interactions energy: -211.698 where: short stacking energy: -182.158 Base-Backbone interact. energy: -0.507 local terms energy: -374.062407 where: bonds (distance) C4'-P energy: -129.543 bonds (distance) P-C4' energy: -127.197 flat angles C4'-P-C4' energy: -103.637 flat angles P-C4'-P energy: -32.399 tors. eta vs tors. theta energy: 18.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2640.466053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.466053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.466053 (E_RNA) where: Base-Base interactions energy: -1832.844 where: short stacking energy: -772.827 Base-Backbone interact. energy: -3.199 local terms energy: -804.423357 where: bonds (distance) C4'-P energy: -153.193 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -169.647 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -206.735 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: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2552.821987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.821987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.821987 (E_RNA) where: Base-Base interactions energy: -1784.333 where: short stacking energy: -740.505 Base-Backbone interact. energy: 1.727 local terms energy: -770.215668 where: bonds (distance) C4'-P energy: -148.938 bonds (distance) P-C4' energy: -146.920 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -214.222 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: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2496.626142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.626142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.626142 (E_RNA) where: Base-Base interactions energy: -1713.345 where: short stacking energy: -728.485 Base-Backbone interact. energy: -0.570 local terms energy: -782.710870 where: bonds (distance) C4'-P energy: -140.548 bonds (distance) P-C4' energy: -135.932 flat angles C4'-P-C4' energy: -166.503 flat angles P-C4'-P energy: -113.784 tors. eta vs tors. theta energy: -225.944 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: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2248.144097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.144097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.144097 (E_RNA) where: Base-Base interactions energy: -1560.451 where: short stacking energy: -673.658 Base-Backbone interact. energy: -2.206 local terms energy: -685.487409 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -170.545 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -195.014 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: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2212.999319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.999319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.999319 (E_RNA) where: Base-Base interactions energy: -1487.491 where: short stacking energy: -658.266 Base-Backbone interact. energy: -2.126 local terms energy: -723.382116 where: bonds (distance) C4'-P energy: -143.949 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -154.724 flat angles P-C4'-P energy: -94.418 tors. eta vs tors. theta energy: -189.231 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: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1958.153416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.153416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.153416 (E_RNA) where: Base-Base interactions energy: -1318.582 where: short stacking energy: -557.947 Base-Backbone interact. energy: -4.250 local terms energy: -635.321725 where: bonds (distance) C4'-P energy: -98.205 bonds (distance) P-C4' energy: -141.565 flat angles C4'-P-C4' energy: -154.185 flat angles P-C4'-P energy: -108.453 tors. eta vs tors. theta energy: -132.913 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: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1779.438360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.438360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.438360 (E_RNA) where: Base-Base interactions energy: -1171.965 where: short stacking energy: -526.538 Base-Backbone interact. energy: -1.706 local terms energy: -605.767074 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -136.089 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -130.854 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: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1410.135133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.135133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.135133 (E_RNA) where: Base-Base interactions energy: -871.108 where: short stacking energy: -379.988 Base-Backbone interact. energy: 1.446 local terms energy: -540.473499 where: bonds (distance) C4'-P energy: -126.524 bonds (distance) P-C4' energy: -141.604 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -78.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1156.014151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.014151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.014151 (E_RNA) where: Base-Base interactions energy: -708.792 where: short stacking energy: -357.872 Base-Backbone interact. energy: 4.613 local terms energy: -451.834852 where: bonds (distance) C4'-P energy: -110.871 bonds (distance) P-C4' energy: -121.701 flat angles C4'-P-C4' energy: -101.397 flat angles P-C4'-P energy: -65.942 tors. eta vs tors. theta energy: -51.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -600.101532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.101532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.101532 (E_RNA) where: Base-Base interactions energy: -223.049 where: short stacking energy: -167.790 Base-Backbone interact. energy: 3.105 local terms energy: -380.157183 where: bonds (distance) C4'-P energy: -114.267 bonds (distance) P-C4' energy: -136.373 flat angles C4'-P-C4' energy: -88.923 flat angles P-C4'-P energy: -60.946 tors. eta vs tors. theta energy: 20.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2638.068274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.068274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.068274 (E_RNA) where: Base-Base interactions energy: -1858.962 where: short stacking energy: -789.893 Base-Backbone interact. energy: -3.855 local terms energy: -775.251681 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -148.749 flat angles C4'-P-C4' energy: -172.208 flat angles P-C4'-P energy: -115.921 tors. eta vs tors. theta energy: -203.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2552.329250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.329250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.329250 (E_RNA) where: Base-Base interactions energy: -1757.181 where: short stacking energy: -773.069 Base-Backbone interact. energy: 0.438 local terms energy: -795.585630 where: bonds (distance) C4'-P energy: -138.436 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -165.628 flat angles P-C4'-P energy: -121.449 tors. eta vs tors. theta energy: -228.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2518.971098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.971098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.971098 (E_RNA) where: Base-Base interactions energy: -1780.763 where: short stacking energy: -727.585 Base-Backbone interact. energy: -3.933 local terms energy: -734.275611 where: bonds (distance) C4'-P energy: -143.197 bonds (distance) P-C4' energy: -131.237 flat angles C4'-P-C4' energy: -161.205 flat angles P-C4'-P energy: -89.594 tors. eta vs tors. theta energy: -209.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2269.169907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.169907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.169907 (E_RNA) where: Base-Base interactions energy: -1525.445 where: short stacking energy: -704.177 Base-Backbone interact. energy: -1.828 local terms energy: -741.896522 where: bonds (distance) C4'-P energy: -121.216 bonds (distance) P-C4' energy: -138.858 flat angles C4'-P-C4' energy: -158.318 flat angles P-C4'-P energy: -115.246 tors. eta vs tors. theta energy: -208.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2157.020975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.020975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.020975 (E_RNA) where: Base-Base interactions energy: -1479.439 where: short stacking energy: -624.452 Base-Backbone interact. energy: -0.596 local terms energy: -676.986539 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -113.371 flat angles C4'-P-C4' energy: -146.623 flat angles P-C4'-P energy: -109.154 tors. eta vs tors. theta energy: -171.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1964.265777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.265777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.265777 (E_RNA) where: Base-Base interactions energy: -1362.464 where: short stacking energy: -564.093 Base-Backbone interact. energy: -1.617 local terms energy: -600.185613 where: bonds (distance) C4'-P energy: -95.005 bonds (distance) P-C4' energy: -136.022 flat angles C4'-P-C4' energy: -137.584 flat angles P-C4'-P energy: -88.166 tors. eta vs tors. theta energy: -143.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1830.045738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.045738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.045738 (E_RNA) where: Base-Base interactions energy: -1222.112 where: short stacking energy: -542.150 Base-Backbone interact. energy: 2.079 local terms energy: -610.012653 where: bonds (distance) C4'-P energy: -110.463 bonds (distance) P-C4' energy: -134.281 flat angles C4'-P-C4' energy: -144.082 flat angles P-C4'-P energy: -80.313 tors. eta vs tors. theta energy: -140.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1392.959244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.959244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.959244 (E_RNA) where: Base-Base interactions energy: -875.306 where: short stacking energy: -387.387 Base-Backbone interact. energy: -2.684 local terms energy: -514.968849 where: bonds (distance) C4'-P energy: -129.139 bonds (distance) P-C4' energy: -116.220 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -78.213 tors. eta vs tors. theta energy: -61.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1091.950243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.950243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.950243 (E_RNA) where: Base-Base interactions energy: -663.854 where: short stacking energy: -299.073 Base-Backbone interact. energy: -1.212 local terms energy: -426.884144 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -129.172 flat angles C4'-P-C4' energy: -105.537 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -24.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -595.482146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.482146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.482146 (E_RNA) where: Base-Base interactions energy: -227.554 where: short stacking energy: -168.899 Base-Backbone interact. energy: -1.371 local terms energy: -366.557252 where: bonds (distance) C4'-P energy: -116.316 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -108.636 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: 21.315 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: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2647.082364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.082364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.082364 (E_RNA) where: Base-Base interactions energy: -1863.156 where: short stacking energy: -779.795 Base-Backbone interact. energy: -4.572 local terms energy: -779.354821 where: bonds (distance) C4'-P energy: -143.975 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -171.474 flat angles P-C4'-P energy: -104.025 tors. eta vs tors. theta energy: -206.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2562.593951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.593951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.593951 (E_RNA) where: Base-Base interactions energy: -1743.558 where: short stacking energy: -787.714 Base-Backbone interact. energy: -2.079 local terms energy: -816.957165 where: bonds (distance) C4'-P energy: -145.879 bonds (distance) P-C4' energy: -163.472 flat angles C4'-P-C4' energy: -158.272 flat angles P-C4'-P energy: -118.495 tors. eta vs tors. theta energy: -230.839 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: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2493.059938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.059938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.059938 (E_RNA) where: Base-Base interactions energy: -1750.328 where: short stacking energy: -728.573 Base-Backbone interact. energy: -2.179 local terms energy: -740.552660 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -155.720 flat angles P-C4'-P energy: -107.001 tors. eta vs tors. theta energy: -205.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2249.230207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.230207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.230207 (E_RNA) where: Base-Base interactions energy: -1514.229 where: short stacking energy: -678.531 Base-Backbone interact. energy: -3.113 local terms energy: -731.887556 where: bonds (distance) C4'-P energy: -139.780 bonds (distance) P-C4' energy: -137.117 flat angles C4'-P-C4' energy: -162.621 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -197.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2129.855567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.855567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.855567 (E_RNA) where: Base-Base interactions energy: -1461.389 where: short stacking energy: -612.660 Base-Backbone interact. energy: -1.186 local terms energy: -667.280548 where: bonds (distance) C4'-P energy: -136.880 bonds (distance) P-C4' energy: -141.953 flat angles C4'-P-C4' energy: -128.106 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -163.308 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: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1970.479297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.479297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.479297 (E_RNA) where: Base-Base interactions energy: -1334.880 where: short stacking energy: -552.004 Base-Backbone interact. energy: -2.565 local terms energy: -633.034752 where: bonds (distance) C4'-P energy: -132.772 bonds (distance) P-C4' energy: -132.659 flat angles C4'-P-C4' energy: -141.083 flat angles P-C4'-P energy: -85.990 tors. eta vs tors. theta energy: -140.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1840.810862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.810862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.810862 (E_RNA) where: Base-Base interactions energy: -1242.226 where: short stacking energy: -545.019 Base-Backbone interact. energy: -0.984 local terms energy: -597.600997 where: bonds (distance) C4'-P energy: -115.225 bonds (distance) P-C4' energy: -116.012 flat angles C4'-P-C4' energy: -138.491 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -134.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1440.851618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.851618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.851618 (E_RNA) where: Base-Base interactions energy: -912.911 where: short stacking energy: -431.610 Base-Backbone interact. energy: -0.150 local terms energy: -527.790736 where: bonds (distance) C4'-P energy: -112.944 bonds (distance) P-C4' energy: -140.147 flat angles C4'-P-C4' energy: -115.634 flat angles P-C4'-P energy: -76.108 tors. eta vs tors. theta energy: -82.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1223.262395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.262395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.262395 (E_RNA) where: Base-Base interactions energy: -731.797 where: short stacking energy: -371.500 Base-Backbone interact. energy: 3.858 local terms energy: -495.324096 where: bonds (distance) C4'-P energy: -100.966 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -126.594 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: -55.462 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: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -598.935616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.935616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.935616 (E_RNA) where: Base-Base interactions energy: -238.604 where: short stacking energy: -178.917 Base-Backbone interact. energy: 2.881 local terms energy: -363.212369 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -113.893 flat angles C4'-P-C4' energy: -100.306 flat angles P-C4'-P energy: -64.252 tors. eta vs tors. theta energy: 37.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2675.765633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.765633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.765633 (E_RNA) where: Base-Base interactions energy: -1860.334 where: short stacking energy: -771.703 Base-Backbone interact. energy: -1.617 local terms energy: -813.813846 where: bonds (distance) C4'-P energy: -158.235 bonds (distance) P-C4' energy: -144.139 flat angles C4'-P-C4' energy: -169.918 flat angles P-C4'-P energy: -125.182 tors. eta vs tors. theta energy: -216.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2585.822963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.822963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.822963 (E_RNA) where: Base-Base interactions energy: -1811.736 where: short stacking energy: -800.199 Base-Backbone interact. energy: -1.155 local terms energy: -772.931429 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -139.289 flat angles C4'-P-C4' energy: -165.988 flat angles P-C4'-P energy: -109.446 tors. eta vs tors. theta energy: -230.583 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: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2442.062675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.062675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.062675 (E_RNA) where: Base-Base interactions energy: -1710.508 where: short stacking energy: -695.666 Base-Backbone interact. energy: -0.762 local terms energy: -730.792590 where: bonds (distance) C4'-P energy: -139.001 bonds (distance) P-C4' energy: -128.595 flat angles C4'-P-C4' energy: -170.880 flat angles P-C4'-P energy: -93.626 tors. eta vs tors. theta energy: -198.691 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: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2242.173792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.173792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.173792 (E_RNA) where: Base-Base interactions energy: -1523.776 where: short stacking energy: -686.710 Base-Backbone interact. energy: -2.995 local terms energy: -715.403049 where: bonds (distance) C4'-P energy: -112.710 bonds (distance) P-C4' energy: -128.740 flat angles C4'-P-C4' energy: -163.097 flat angles P-C4'-P energy: -100.872 tors. eta vs tors. theta energy: -209.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2122.443319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.443319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.443319 (E_RNA) where: Base-Base interactions energy: -1439.586 where: short stacking energy: -584.626 Base-Backbone interact. energy: 0.373 local terms energy: -683.230767 where: bonds (distance) C4'-P energy: -142.212 bonds (distance) P-C4' energy: -136.525 flat angles C4'-P-C4' energy: -145.845 flat angles P-C4'-P energy: -103.989 tors. eta vs tors. theta energy: -154.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1979.092356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.092356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.092356 (E_RNA) where: Base-Base interactions energy: -1353.150 where: short stacking energy: -573.275 Base-Backbone interact. energy: 3.293 local terms energy: -629.235905 where: bonds (distance) C4'-P energy: -120.393 bonds (distance) P-C4' energy: -144.574 flat angles C4'-P-C4' energy: -134.237 flat angles P-C4'-P energy: -90.618 tors. eta vs tors. theta energy: -139.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1810.805526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.805526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.805526 (E_RNA) where: Base-Base interactions energy: -1188.620 where: short stacking energy: -516.749 Base-Backbone interact. energy: 0.850 local terms energy: -623.035345 where: bonds (distance) C4'-P energy: -119.291 bonds (distance) P-C4' energy: -138.506 flat angles C4'-P-C4' energy: -145.043 flat angles P-C4'-P energy: -98.930 tors. eta vs tors. theta energy: -121.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1401.209248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.209248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.209248 (E_RNA) where: Base-Base interactions energy: -871.340 where: short stacking energy: -382.706 Base-Backbone interact. energy: -2.033 local terms energy: -527.836221 where: bonds (distance) C4'-P energy: -124.272 bonds (distance) P-C4' energy: -121.118 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -83.474 tors. eta vs tors. theta energy: -55.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1187.802587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.802587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.802587 (E_RNA) where: Base-Base interactions energy: -712.859 where: short stacking energy: -344.548 Base-Backbone interact. energy: -0.537 local terms energy: -474.406685 where: bonds (distance) C4'-P energy: -111.627 bonds (distance) P-C4' energy: -133.815 flat angles C4'-P-C4' energy: -123.645 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: -39.525 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: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -678.994850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.994850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.994850 (E_RNA) where: Base-Base interactions energy: -315.713 where: short stacking energy: -195.399 Base-Backbone interact. energy: 3.763 local terms energy: -367.045242 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -115.659 flat angles C4'-P-C4' energy: -95.791 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: 2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2646.283408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.283408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.283408 (E_RNA) where: Base-Base interactions energy: -1867.523 where: short stacking energy: -762.630 Base-Backbone interact. energy: -1.388 local terms energy: -777.373180 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -171.989 flat angles P-C4'-P energy: -115.719 tors. eta vs tors. theta energy: -203.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2551.770815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.770815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.770815 (E_RNA) where: Base-Base interactions energy: -1737.596 where: short stacking energy: -799.989 Base-Backbone interact. energy: -3.223 local terms energy: -810.951683 where: bonds (distance) C4'-P energy: -156.511 bonds (distance) P-C4' energy: -143.769 flat angles C4'-P-C4' energy: -173.878 flat angles P-C4'-P energy: -117.535 tors. eta vs tors. theta energy: -219.259 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: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2466.219200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.219200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.219200 (E_RNA) where: Base-Base interactions energy: -1724.139 where: short stacking energy: -691.064 Base-Backbone interact. energy: -1.610 local terms energy: -740.470190 where: bonds (distance) C4'-P energy: -138.990 bonds (distance) P-C4' energy: -143.206 flat angles C4'-P-C4' energy: -161.193 flat angles P-C4'-P energy: -106.638 tors. eta vs tors. theta energy: -190.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2248.592527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.592527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.592527 (E_RNA) where: Base-Base interactions energy: -1507.858 where: short stacking energy: -681.546 Base-Backbone interact. energy: -2.155 local terms energy: -738.579201 where: bonds (distance) C4'-P energy: -133.645 bonds (distance) P-C4' energy: -134.972 flat angles C4'-P-C4' energy: -141.392 flat angles P-C4'-P energy: -114.147 tors. eta vs tors. theta energy: -214.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2164.943031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.943031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.943031 (E_RNA) where: Base-Base interactions energy: -1493.632 where: short stacking energy: -635.703 Base-Backbone interact. energy: -1.216 local terms energy: -670.095082 where: bonds (distance) C4'-P energy: -128.882 bonds (distance) P-C4' energy: -131.751 flat angles C4'-P-C4' energy: -141.775 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -166.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2019.967751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.967751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.967751 (E_RNA) where: Base-Base interactions energy: -1388.448 where: short stacking energy: -578.809 Base-Backbone interact. energy: 2.240 local terms energy: -633.759158 where: bonds (distance) C4'-P energy: -127.237 bonds (distance) P-C4' energy: -125.440 flat angles C4'-P-C4' energy: -141.131 flat angles P-C4'-P energy: -91.983 tors. eta vs tors. theta energy: -147.968 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: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1785.428709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.428709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.428709 (E_RNA) where: Base-Base interactions energy: -1160.096 where: short stacking energy: -513.012 Base-Backbone interact. energy: -1.657 local terms energy: -623.675646 where: bonds (distance) C4'-P energy: -124.945 bonds (distance) P-C4' energy: -135.517 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -90.958 tors. eta vs tors. theta energy: -117.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1431.420260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.420260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.420260 (E_RNA) where: Base-Base interactions energy: -918.012 where: short stacking energy: -435.129 Base-Backbone interact. energy: -0.158 local terms energy: -513.250988 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -138.066 flat angles C4'-P-C4' energy: -119.142 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: -82.661 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: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1215.001861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.001861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.001861 (E_RNA) where: Base-Base interactions energy: -763.146 where: short stacking energy: -338.633 Base-Backbone interact. energy: -2.110 local terms energy: -449.745414 where: bonds (distance) C4'-P energy: -113.191 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -124.605 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -36.748 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: 224 Temperature: 1.350000 Total energy: -620.631207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.631207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.631207 (E_RNA) where: Base-Base interactions energy: -281.024 where: short stacking energy: -180.888 Base-Backbone interact. energy: -0.303 local terms energy: -339.304143 where: bonds (distance) C4'-P energy: -113.513 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -75.173 tors. eta vs tors. theta energy: 36.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2642.508402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.508402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.508402 (E_RNA) where: Base-Base interactions energy: -1857.290 where: short stacking energy: -765.953 Base-Backbone interact. energy: -2.272 local terms energy: -782.945902 where: bonds (distance) C4'-P energy: -144.006 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -168.975 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -200.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2566.714879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.714879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.714879 (E_RNA) where: Base-Base interactions energy: -1749.955 where: short stacking energy: -778.193 Base-Backbone interact. energy: -2.883 local terms energy: -813.876110 where: bonds (distance) C4'-P energy: -153.856 bonds (distance) P-C4' energy: -147.367 flat angles C4'-P-C4' energy: -163.791 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -224.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2474.425634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.425634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.425634 (E_RNA) where: Base-Base interactions energy: -1683.192 where: short stacking energy: -675.263 Base-Backbone interact. energy: -3.265 local terms energy: -787.968735 where: bonds (distance) C4'-P energy: -153.536 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -173.315 flat angles P-C4'-P energy: -116.721 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: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2244.763284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.763284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.763284 (E_RNA) where: Base-Base interactions energy: -1532.668 where: short stacking energy: -674.973 Base-Backbone interact. energy: 2.012 local terms energy: -714.107056 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -136.889 flat angles C4'-P-C4' energy: -149.465 flat angles P-C4'-P energy: -90.334 tors. eta vs tors. theta energy: -201.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2155.766537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.766537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.766537 (E_RNA) where: Base-Base interactions energy: -1458.687 where: short stacking energy: -608.823 Base-Backbone interact. energy: -2.047 local terms energy: -695.032408 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -136.078 flat angles C4'-P-C4' energy: -152.202 flat angles P-C4'-P energy: -102.689 tors. eta vs tors. theta energy: -184.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2006.679291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.679291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.679291 (E_RNA) where: Base-Base interactions energy: -1362.517 where: short stacking energy: -549.656 Base-Backbone interact. energy: -1.642 local terms energy: -642.520247 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -135.659 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -143.489 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: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1775.109404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.109404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.109404 (E_RNA) where: Base-Base interactions energy: -1151.257 where: short stacking energy: -517.680 Base-Backbone interact. energy: 4.676 local terms energy: -628.528632 where: bonds (distance) C4'-P energy: -128.199 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -84.673 tors. eta vs tors. theta energy: -135.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1437.672715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.672715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.672715 (E_RNA) where: Base-Base interactions energy: -886.751 where: short stacking energy: -412.999 Base-Backbone interact. energy: -3.019 local terms energy: -547.902798 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -130.173 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -79.641 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1184.489450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.489450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.489450 (E_RNA) where: Base-Base interactions energy: -736.276 where: short stacking energy: -326.570 Base-Backbone interact. energy: -0.222 local terms energy: -447.991572 where: bonds (distance) C4'-P energy: -96.904 bonds (distance) P-C4' energy: -129.477 flat angles C4'-P-C4' energy: -116.729 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -34.340 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: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -601.603000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.603000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.603000 (E_RNA) where: Base-Base interactions energy: -249.333 where: short stacking energy: -180.463 Base-Backbone interact. energy: 0.807 local terms energy: -353.076821 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -138.814 flat angles C4'-P-C4' energy: -91.065 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: 32.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2648.807833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.807833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.807833 (E_RNA) where: Base-Base interactions energy: -1842.864 where: short stacking energy: -781.158 Base-Backbone interact. energy: -2.033 local terms energy: -803.910497 where: bonds (distance) C4'-P energy: -163.826 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -166.670 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -197.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2545.728525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.728525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.728525 (E_RNA) where: Base-Base interactions energy: -1743.801 where: short stacking energy: -745.217 Base-Backbone interact. energy: -3.223 local terms energy: -798.704590 where: bonds (distance) C4'-P energy: -158.064 bonds (distance) P-C4' energy: -153.670 flat angles C4'-P-C4' energy: -165.061 flat angles P-C4'-P energy: -104.856 tors. eta vs tors. theta energy: -217.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2437.432941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.432941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.432941 (E_RNA) where: Base-Base interactions energy: -1708.067 where: short stacking energy: -696.923 Base-Backbone interact. energy: -2.294 local terms energy: -727.072526 where: bonds (distance) C4'-P energy: -132.500 bonds (distance) P-C4' energy: -140.574 flat angles C4'-P-C4' energy: -158.272 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -193.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2248.782434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.782434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.782434 (E_RNA) where: Base-Base interactions energy: -1521.044 where: short stacking energy: -696.024 Base-Backbone interact. energy: 1.751 local terms energy: -729.489170 where: bonds (distance) C4'-P energy: -133.144 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -160.396 flat angles P-C4'-P energy: -90.172 tors. eta vs tors. theta energy: -203.551 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: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2145.321045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.321045 (E_RNA) where: Base-Base interactions energy: -1467.364 where: short stacking energy: -586.080 Base-Backbone interact. energy: -4.915 local terms energy: -673.042892 where: bonds (distance) C4'-P energy: -127.990 bonds (distance) P-C4' energy: -147.120 flat angles C4'-P-C4' energy: -144.412 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -151.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1999.392011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.392011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.392011 (E_RNA) where: Base-Base interactions energy: -1357.702 where: short stacking energy: -555.567 Base-Backbone interact. energy: 2.384 local terms energy: -644.074665 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -138.354 flat angles C4'-P-C4' energy: -146.417 flat angles P-C4'-P energy: -92.412 tors. eta vs tors. theta energy: -134.788 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: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1807.256728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.256728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.256728 (E_RNA) where: Base-Base interactions energy: -1224.398 where: short stacking energy: -526.659 Base-Backbone interact. energy: -4.113 local terms energy: -578.745903 where: bonds (distance) C4'-P energy: -117.993 bonds (distance) P-C4' energy: -117.970 flat angles C4'-P-C4' energy: -144.907 flat angles P-C4'-P energy: -74.874 tors. eta vs tors. theta energy: -123.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1410.271271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.271271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.271271 (E_RNA) where: Base-Base interactions energy: -865.224 where: short stacking energy: -390.060 Base-Backbone interact. energy: -0.463 local terms energy: -544.585200 where: bonds (distance) C4'-P energy: -117.366 bonds (distance) P-C4' energy: -137.939 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -78.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1249.144590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.144590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.144590 (E_RNA) where: Base-Base interactions energy: -757.003 where: short stacking energy: -351.570 Base-Backbone interact. energy: 1.688 local terms energy: -493.829176 where: bonds (distance) C4'-P energy: -107.530 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -125.743 flat angles P-C4'-P energy: -73.472 tors. eta vs tors. theta energy: -54.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -664.436660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.436660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.436660 (E_RNA) where: Base-Base interactions energy: -275.606 where: short stacking energy: -217.282 Base-Backbone interact. energy: 3.596 local terms energy: -392.426723 where: bonds (distance) C4'-P energy: -121.422 bonds (distance) P-C4' energy: -125.900 flat angles C4'-P-C4' energy: -108.338 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: 9.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2665.122410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.122410 (E_RNA) where: Base-Base interactions energy: -1864.966 where: short stacking energy: -758.783 Base-Backbone interact. energy: 0.277 local terms energy: -800.433618 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -157.348 flat angles C4'-P-C4' energy: -176.212 flat angles P-C4'-P energy: -113.986 tors. eta vs tors. theta energy: -198.973 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: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2581.174155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.174155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.174155 (E_RNA) where: Base-Base interactions energy: -1778.250 where: short stacking energy: -779.871 Base-Backbone interact. energy: -0.106 local terms energy: -802.817643 where: bonds (distance) C4'-P energy: -131.600 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -119.160 tors. eta vs tors. theta energy: -232.637 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: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2464.231731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.231731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.231731 (E_RNA) where: Base-Base interactions energy: -1685.989 where: short stacking energy: -698.718 Base-Backbone interact. energy: -1.995 local terms energy: -776.247388 where: bonds (distance) C4'-P energy: -152.695 bonds (distance) P-C4' energy: -147.261 flat angles C4'-P-C4' energy: -159.452 flat angles P-C4'-P energy: -113.289 tors. eta vs tors. theta energy: -203.551 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: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2234.757071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.757071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.757071 (E_RNA) where: Base-Base interactions energy: -1458.537 where: short stacking energy: -662.622 Base-Backbone interact. energy: -0.784 local terms energy: -775.436152 where: bonds (distance) C4'-P energy: -153.077 bonds (distance) P-C4' energy: -157.614 flat angles C4'-P-C4' energy: -151.832 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -204.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2101.831768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.831768 (E_RNA) where: Base-Base interactions energy: -1495.460 where: short stacking energy: -626.933 Base-Backbone interact. energy: -2.474 local terms energy: -603.897780 where: bonds (distance) C4'-P energy: -95.670 bonds (distance) P-C4' energy: -137.023 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -83.011 tors. eta vs tors. theta energy: -159.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2106.974197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.974197 (E_RNA) where: Base-Base interactions energy: -1435.310 where: short stacking energy: -627.472 Base-Backbone interact. energy: -3.264 local terms energy: -668.400696 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -143.839 flat angles C4'-P-C4' energy: -126.989 flat angles P-C4'-P energy: -90.542 tors. eta vs tors. theta energy: -179.243 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: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1826.024327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.024327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.024327 (E_RNA) where: Base-Base interactions energy: -1217.912 where: short stacking energy: -524.590 Base-Backbone interact. energy: 0.409 local terms energy: -608.521451 where: bonds (distance) C4'-P energy: -134.403 bonds (distance) P-C4' energy: -128.510 flat angles C4'-P-C4' energy: -117.614 flat angles P-C4'-P energy: -93.878 tors. eta vs tors. theta energy: -134.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1486.502789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.502789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.502789 (E_RNA) where: Base-Base interactions energy: -934.754 where: short stacking energy: -424.912 Base-Backbone interact. energy: 2.245 local terms energy: -553.993747 where: bonds (distance) C4'-P energy: -122.513 bonds (distance) P-C4' energy: -123.226 flat angles C4'-P-C4' energy: -131.244 flat angles P-C4'-P energy: -73.775 tors. eta vs tors. theta energy: -103.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1174.438952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.438952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.438952 (E_RNA) where: Base-Base interactions energy: -693.404 where: short stacking energy: -327.728 Base-Backbone interact. energy: -1.327 local terms energy: -479.708115 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -138.180 flat angles C4'-P-C4' energy: -108.802 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -34.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -661.932501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.932501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.932501 (E_RNA) where: Base-Base interactions energy: -294.630 where: short stacking energy: -176.457 Base-Backbone interact. energy: -3.668 local terms energy: -363.634797 where: bonds (distance) C4'-P energy: -106.821 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -106.930 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: 18.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2630.767957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.767957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.767957 (E_RNA) where: Base-Base interactions energy: -1859.136 where: short stacking energy: -769.181 Base-Backbone interact. energy: -0.413 local terms energy: -771.218545 where: bonds (distance) C4'-P energy: -134.427 bonds (distance) P-C4' energy: -147.013 flat angles C4'-P-C4' energy: -166.684 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -206.995 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: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2536.973224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.973224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.973224 (E_RNA) where: Base-Base interactions energy: -1759.268 where: short stacking energy: -772.618 Base-Backbone interact. energy: -2.105 local terms energy: -775.600789 where: bonds (distance) C4'-P energy: -138.328 bonds (distance) P-C4' energy: -152.117 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -101.706 tors. eta vs tors. theta energy: -217.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2478.282647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.282647 (E_RNA) where: Base-Base interactions energy: -1716.738 where: short stacking energy: -703.022 Base-Backbone interact. energy: -1.889 local terms energy: -759.655260 where: bonds (distance) C4'-P energy: -155.800 bonds (distance) P-C4' energy: -147.482 flat angles C4'-P-C4' energy: -156.909 flat angles P-C4'-P energy: -99.261 tors. eta vs tors. theta energy: -200.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2275.383079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.383079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.383079 (E_RNA) where: Base-Base interactions energy: -1533.038 where: short stacking energy: -708.477 Base-Backbone interact. energy: -0.116 local terms energy: -742.229293 where: bonds (distance) C4'-P energy: -139.733 bonds (distance) P-C4' energy: -143.372 flat angles C4'-P-C4' energy: -156.898 flat angles P-C4'-P energy: -99.321 tors. eta vs tors. theta energy: -202.905 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: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2117.038548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.038548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.038548 (E_RNA) where: Base-Base interactions energy: -1466.184 where: short stacking energy: -601.725 Base-Backbone interact. energy: -0.341 local terms energy: -650.514134 where: bonds (distance) C4'-P energy: -145.063 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -138.849 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: -150.024 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: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2079.223067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.223067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.223067 (E_RNA) where: Base-Base interactions energy: -1416.100 where: short stacking energy: -568.738 Base-Backbone interact. energy: -0.015 local terms energy: -663.108677 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -142.934 flat angles C4'-P-C4' energy: -157.737 flat angles P-C4'-P energy: -86.213 tors. eta vs tors. theta energy: -152.235 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: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1828.171291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.171291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.171291 (E_RNA) where: Base-Base interactions energy: -1226.893 where: short stacking energy: -530.429 Base-Backbone interact. energy: -1.111 local terms energy: -600.168059 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -143.767 flat angles P-C4'-P energy: -91.240 tors. eta vs tors. theta energy: -133.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1449.111447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.111447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.111447 (E_RNA) where: Base-Base interactions energy: -904.483 where: short stacking energy: -416.417 Base-Backbone interact. energy: -3.007 local terms energy: -541.621904 where: bonds (distance) C4'-P energy: -110.203 bonds (distance) P-C4' energy: -131.837 flat angles C4'-P-C4' energy: -148.337 flat angles P-C4'-P energy: -76.955 tors. eta vs tors. theta energy: -74.291 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: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1114.370181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.370181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.370181 (E_RNA) where: Base-Base interactions energy: -609.096 where: short stacking energy: -277.917 Base-Backbone interact. energy: -1.069 local terms energy: -504.205162 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -140.082 flat angles C4'-P-C4' energy: -125.779 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -43.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -676.238943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.238943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.238943 (E_RNA) where: Base-Base interactions energy: -316.662 where: short stacking energy: -217.808 Base-Backbone interact. energy: 16.067 local terms energy: -375.643515 where: bonds (distance) C4'-P energy: -111.953 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -90.850 flat angles P-C4'-P energy: -66.076 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: 229 Temperature: 0.900000 Total energy: -2649.014851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.014851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.014851 (E_RNA) where: Base-Base interactions energy: -1903.583 where: short stacking energy: -748.968 Base-Backbone interact. energy: -0.678 local terms energy: -744.754042 where: bonds (distance) C4'-P energy: -137.691 bonds (distance) P-C4' energy: -140.220 flat angles C4'-P-C4' energy: -166.818 flat angles P-C4'-P energy: -98.627 tors. eta vs tors. theta energy: -201.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2577.714800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.714800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.714800 (E_RNA) where: Base-Base interactions energy: -1781.496 where: short stacking energy: -781.311 Base-Backbone interact. energy: -3.469 local terms energy: -792.749907 where: bonds (distance) C4'-P energy: -135.401 bonds (distance) P-C4' energy: -142.897 flat angles C4'-P-C4' energy: -171.674 flat angles P-C4'-P energy: -109.593 tors. eta vs tors. theta energy: -233.184 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: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2497.165828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.165828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.165828 (E_RNA) where: Base-Base interactions energy: -1762.286 where: short stacking energy: -712.901 Base-Backbone interact. energy: -0.419 local terms energy: -734.461310 where: bonds (distance) C4'-P energy: -129.058 bonds (distance) P-C4' energy: -142.460 flat angles C4'-P-C4' energy: -170.252 flat angles P-C4'-P energy: -96.457 tors. eta vs tors. theta energy: -196.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2257.106594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.106594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.106594 (E_RNA) where: Base-Base interactions energy: -1519.438 where: short stacking energy: -683.877 Base-Backbone interact. energy: -3.272 local terms energy: -734.396152 where: bonds (distance) C4'-P energy: -140.287 bonds (distance) P-C4' energy: -139.357 flat angles C4'-P-C4' energy: -156.835 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -207.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2105.961331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.961331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.961331 (E_RNA) where: Base-Base interactions energy: -1413.949 where: short stacking energy: -589.519 Base-Backbone interact. energy: -2.867 local terms energy: -689.145406 where: bonds (distance) C4'-P energy: -133.638 bonds (distance) P-C4' energy: -147.859 flat angles C4'-P-C4' energy: -146.353 flat angles P-C4'-P energy: -97.390 tors. eta vs tors. theta energy: -163.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2041.250873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.250873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.250873 (E_RNA) where: Base-Base interactions energy: -1402.503 where: short stacking energy: -581.805 Base-Backbone interact. energy: 4.765 local terms energy: -643.512985 where: bonds (distance) C4'-P energy: -119.645 bonds (distance) P-C4' energy: -132.350 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -94.458 tors. eta vs tors. theta energy: -149.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1764.932396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.932396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.932396 (E_RNA) where: Base-Base interactions energy: -1176.177 where: short stacking energy: -521.976 Base-Backbone interact. energy: -1.310 local terms energy: -587.445585 where: bonds (distance) C4'-P energy: -122.028 bonds (distance) P-C4' energy: -113.448 flat angles C4'-P-C4' energy: -144.918 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -127.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1425.785443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.785443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.785443 (E_RNA) where: Base-Base interactions energy: -892.693 where: short stacking energy: -405.520 Base-Backbone interact. energy: -3.862 local terms energy: -529.230705 where: bonds (distance) C4'-P energy: -129.138 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -122.903 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: -66.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1104.714578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.714578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.714578 (E_RNA) where: Base-Base interactions energy: -643.909 where: short stacking energy: -317.910 Base-Backbone interact. energy: 0.011 local terms energy: -460.816453 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -125.485 flat angles C4'-P-C4' energy: -107.731 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -46.901 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: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -666.426988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.426988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.426988 (E_RNA) where: Base-Base interactions energy: -287.558 where: short stacking energy: -194.106 Base-Backbone interact. energy: 12.238 local terms energy: -391.107168 where: bonds (distance) C4'-P energy: -127.017 bonds (distance) P-C4' energy: -125.161 flat angles C4'-P-C4' energy: -85.430 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: 16.599 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: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2658.165291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.165291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.165291 (E_RNA) where: Base-Base interactions energy: -1860.113 where: short stacking energy: -761.300 Base-Backbone interact. energy: -3.565 local terms energy: -794.487484 where: bonds (distance) C4'-P energy: -142.113 bonds (distance) P-C4' energy: -158.057 flat angles C4'-P-C4' energy: -164.899 flat angles P-C4'-P energy: -124.513 tors. eta vs tors. theta energy: -204.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2565.002274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.002274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.002274 (E_RNA) where: Base-Base interactions energy: -1775.910 where: short stacking energy: -804.815 Base-Backbone interact. energy: -3.122 local terms energy: -785.969410 where: bonds (distance) C4'-P energy: -138.597 bonds (distance) P-C4' energy: -127.618 flat angles C4'-P-C4' energy: -167.990 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -230.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2442.939669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.939669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.939669 (E_RNA) where: Base-Base interactions energy: -1702.227 where: short stacking energy: -693.436 Base-Backbone interact. energy: -0.768 local terms energy: -739.944181 where: bonds (distance) C4'-P energy: -125.929 bonds (distance) P-C4' energy: -151.993 flat angles C4'-P-C4' energy: -168.441 flat angles P-C4'-P energy: -95.046 tors. eta vs tors. theta energy: -198.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2255.370469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.370469 (E_RNA) where: Base-Base interactions energy: -1518.576 where: short stacking energy: -649.957 Base-Backbone interact. energy: -1.183 local terms energy: -735.611383 where: bonds (distance) C4'-P energy: -123.436 bonds (distance) P-C4' energy: -132.405 flat angles C4'-P-C4' energy: -163.432 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -196.040 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: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2101.078018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.078018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.078018 (E_RNA) where: Base-Base interactions energy: -1434.700 where: short stacking energy: -614.991 Base-Backbone interact. energy: 1.369 local terms energy: -667.746540 where: bonds (distance) C4'-P energy: -121.075 bonds (distance) P-C4' energy: -118.356 flat angles C4'-P-C4' energy: -172.037 flat angles P-C4'-P energy: -95.472 tors. eta vs tors. theta energy: -160.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2054.357360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.357360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.357360 (E_RNA) where: Base-Base interactions energy: -1389.167 where: short stacking energy: -586.605 Base-Backbone interact. energy: 4.137 local terms energy: -669.327541 where: bonds (distance) C4'-P energy: -123.302 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -157.615 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -158.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1855.039155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.039155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.039155 (E_RNA) where: Base-Base interactions energy: -1251.907 where: short stacking energy: -527.947 Base-Backbone interact. energy: -3.429 local terms energy: -599.703680 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -120.011 flat angles C4'-P-C4' energy: -124.229 flat angles P-C4'-P energy: -88.291 tors. eta vs tors. theta energy: -142.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1425.166893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.166893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.166893 (E_RNA) where: Base-Base interactions energy: -932.388 where: short stacking energy: -430.040 Base-Backbone interact. energy: -0.339 local terms energy: -492.440211 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -119.175 flat angles C4'-P-C4' energy: -128.720 flat angles P-C4'-P energy: -53.922 tors. eta vs tors. theta energy: -72.737 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: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1136.713458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.713458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.713458 (E_RNA) where: Base-Base interactions energy: -639.049 where: short stacking energy: -319.187 Base-Backbone interact. energy: 1.265 local terms energy: -498.929434 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -130.154 flat angles C4'-P-C4' energy: -128.066 flat angles P-C4'-P energy: -65.283 tors. eta vs tors. theta energy: -51.702 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: 230 Temperature: 1.350000 Total energy: -677.225258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.225258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.225258 (E_RNA) where: Base-Base interactions energy: -282.312 where: short stacking energy: -173.520 Base-Backbone interact. energy: 1.980 local terms energy: -396.893725 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -94.369 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: 20.419 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: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2659.226864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.226864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.226864 (E_RNA) where: Base-Base interactions energy: -1865.694 where: short stacking energy: -735.500 Base-Backbone interact. energy: -4.467 local terms energy: -789.065424 where: bonds (distance) C4'-P energy: -146.109 bonds (distance) P-C4' energy: -151.397 flat angles C4'-P-C4' energy: -169.212 flat angles P-C4'-P energy: -117.730 tors. eta vs tors. theta energy: -204.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2564.783124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.783124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.783124 (E_RNA) where: Base-Base interactions energy: -1766.042 where: short stacking energy: -795.884 Base-Backbone interact. energy: -2.993 local terms energy: -795.748033 where: bonds (distance) C4'-P energy: -140.836 bonds (distance) P-C4' energy: -144.514 flat angles C4'-P-C4' energy: -164.063 flat angles P-C4'-P energy: -119.000 tors. eta vs tors. theta energy: -227.335 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2489.528559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.528559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.528559 (E_RNA) where: Base-Base interactions energy: -1738.865 where: short stacking energy: -696.651 Base-Backbone interact. energy: -2.094 local terms energy: -748.569883 where: bonds (distance) C4'-P energy: -157.983 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -151.493 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -203.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2257.464677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.464677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.464677 (E_RNA) where: Base-Base interactions energy: -1527.456 where: short stacking energy: -694.791 Base-Backbone interact. energy: 1.511 local terms energy: -731.520085 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -122.121 flat angles C4'-P-C4' energy: -148.180 flat angles P-C4'-P energy: -113.572 tors. eta vs tors. theta energy: -212.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2091.504498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.504498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.504498 (E_RNA) where: Base-Base interactions energy: -1421.221 where: short stacking energy: -592.626 Base-Backbone interact. energy: -2.388 local terms energy: -667.896227 where: bonds (distance) C4'-P energy: -136.786 bonds (distance) P-C4' energy: -127.913 flat angles C4'-P-C4' energy: -157.017 flat angles P-C4'-P energy: -89.802 tors. eta vs tors. theta energy: -156.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1984.607573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.607573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.607573 (E_RNA) where: Base-Base interactions energy: -1366.838 where: short stacking energy: -557.849 Base-Backbone interact. energy: -4.672 local terms energy: -613.098431 where: bonds (distance) C4'-P energy: -116.958 bonds (distance) P-C4' energy: -124.780 flat angles C4'-P-C4' energy: -139.369 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -148.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1831.382067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.382067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.382067 (E_RNA) where: Base-Base interactions energy: -1230.101 where: short stacking energy: -530.780 Base-Backbone interact. energy: 0.329 local terms energy: -601.610228 where: bonds (distance) C4'-P energy: -131.240 bonds (distance) P-C4' energy: -111.122 flat angles C4'-P-C4' energy: -144.747 flat angles P-C4'-P energy: -88.635 tors. eta vs tors. theta energy: -125.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1470.755976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.755976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.755976 (E_RNA) where: Base-Base interactions energy: -944.598 where: short stacking energy: -449.674 Base-Backbone interact. energy: 1.070 local terms energy: -527.227644 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -110.026 flat angles C4'-P-C4' energy: -115.757 flat angles P-C4'-P energy: -81.488 tors. eta vs tors. theta energy: -89.101 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: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1112.059441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.059441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.059441 (E_RNA) where: Base-Base interactions energy: -638.224 where: short stacking energy: -344.419 Base-Backbone interact. energy: -0.475 local terms energy: -473.360419 where: bonds (distance) C4'-P energy: -106.783 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -102.245 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -42.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -727.043428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.043428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.043428 (E_RNA) where: Base-Base interactions energy: -328.649 where: short stacking energy: -220.605 Base-Backbone interact. energy: 7.947 local terms energy: -406.341344 where: bonds (distance) C4'-P energy: -115.405 bonds (distance) P-C4' energy: -137.479 flat angles C4'-P-C4' energy: -117.734 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: 6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2693.911836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.911836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.911836 (E_RNA) where: Base-Base interactions energy: -1897.923 where: short stacking energy: -755.267 Base-Backbone interact. energy: -4.482 local terms energy: -791.507304 where: bonds (distance) C4'-P energy: -141.945 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -164.037 flat angles P-C4'-P energy: -104.164 tors. eta vs tors. theta energy: -221.267 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: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2605.051601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.051601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.051601 (E_RNA) where: Base-Base interactions energy: -1784.364 where: short stacking energy: -781.757 Base-Backbone interact. energy: -3.690 local terms energy: -816.997609 where: bonds (distance) C4'-P energy: -155.533 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -170.271 flat angles P-C4'-P energy: -124.972 tors. eta vs tors. theta energy: -227.278 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: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2469.522828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.522828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.522828 (E_RNA) where: Base-Base interactions energy: -1725.625 where: short stacking energy: -699.185 Base-Backbone interact. energy: -2.054 local terms energy: -741.843926 where: bonds (distance) C4'-P energy: -130.527 bonds (distance) P-C4' energy: -155.883 flat angles C4'-P-C4' energy: -162.260 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -188.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2258.184598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.184598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.184598 (E_RNA) where: Base-Base interactions energy: -1523.116 where: short stacking energy: -683.647 Base-Backbone interact. energy: -1.419 local terms energy: -733.649944 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -144.920 flat angles C4'-P-C4' energy: -152.406 flat angles P-C4'-P energy: -98.186 tors. eta vs tors. theta energy: -205.932 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: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2105.205179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.205179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.205179 (E_RNA) where: Base-Base interactions energy: -1440.754 where: short stacking energy: -619.815 Base-Backbone interact. energy: 1.005 local terms energy: -665.456030 where: bonds (distance) C4'-P energy: -123.544 bonds (distance) P-C4' energy: -119.163 flat angles C4'-P-C4' energy: -152.109 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -173.331 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: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1970.721703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.721703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.721703 (E_RNA) where: Base-Base interactions energy: -1337.593 where: short stacking energy: -570.749 Base-Backbone interact. energy: 7.803 local terms energy: -640.931372 where: bonds (distance) C4'-P energy: -111.737 bonds (distance) P-C4' energy: -138.719 flat angles C4'-P-C4' energy: -150.947 flat angles P-C4'-P energy: -89.604 tors. eta vs tors. theta energy: -149.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1769.228763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.228763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.228763 (E_RNA) where: Base-Base interactions energy: -1152.780 where: short stacking energy: -507.076 Base-Backbone interact. energy: 9.456 local terms energy: -625.904325 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -139.349 flat angles C4'-P-C4' energy: -146.283 flat angles P-C4'-P energy: -96.979 tors. eta vs tors. theta energy: -120.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1402.338017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.338017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.338017 (E_RNA) where: Base-Base interactions energy: -883.884 where: short stacking energy: -388.738 Base-Backbone interact. energy: -1.114 local terms energy: -517.339906 where: bonds (distance) C4'-P energy: -112.237 bonds (distance) P-C4' energy: -130.740 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -88.692 tors. eta vs tors. theta energy: -68.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1100.855196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.855196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.855196 (E_RNA) where: Base-Base interactions energy: -663.257 where: short stacking energy: -330.231 Base-Backbone interact. energy: -0.371 local terms energy: -437.227187 where: bonds (distance) C4'-P energy: -99.028 bonds (distance) P-C4' energy: -119.097 flat angles C4'-P-C4' energy: -124.008 flat angles P-C4'-P energy: -67.961 tors. eta vs tors. theta energy: -27.134 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: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -658.570832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.570832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.570832 (E_RNA) where: Base-Base interactions energy: -302.732 where: short stacking energy: -167.135 Base-Backbone interact. energy: -2.602 local terms energy: -353.236794 where: bonds (distance) C4'-P energy: -101.187 bonds (distance) P-C4' energy: -118.380 flat angles C4'-P-C4' energy: -111.280 flat angles P-C4'-P energy: -61.321 tors. eta vs tors. theta energy: 38.931 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: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2692.899040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.899040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.899040 (E_RNA) where: Base-Base interactions energy: -1898.896 where: short stacking energy: -767.346 Base-Backbone interact. energy: -0.445 local terms energy: -793.557786 where: bonds (distance) C4'-P energy: -144.800 bonds (distance) P-C4' energy: -159.915 flat angles C4'-P-C4' energy: -171.490 flat angles P-C4'-P energy: -107.439 tors. eta vs tors. theta energy: -209.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2556.835242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.835242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.835242 (E_RNA) where: Base-Base interactions energy: -1779.648 where: short stacking energy: -791.090 Base-Backbone interact. energy: 0.818 local terms energy: -778.004677 where: bonds (distance) C4'-P energy: -117.179 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -159.819 flat angles P-C4'-P energy: -120.833 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: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2482.917271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.917271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.917271 (E_RNA) where: Base-Base interactions energy: -1759.357 where: short stacking energy: -738.453 Base-Backbone interact. energy: 8.675 local terms energy: -732.235550 where: bonds (distance) C4'-P energy: -132.163 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -155.113 flat angles P-C4'-P energy: -87.986 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: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2255.406502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.406502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.406502 (E_RNA) where: Base-Base interactions energy: -1522.946 where: short stacking energy: -684.003 Base-Backbone interact. energy: -3.534 local terms energy: -728.926466 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -141.209 flat angles C4'-P-C4' energy: -163.568 flat angles P-C4'-P energy: -87.126 tors. eta vs tors. theta energy: -207.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2087.289472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.289472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.289472 (E_RNA) where: Base-Base interactions energy: -1414.371 where: short stacking energy: -592.100 Base-Backbone interact. energy: -3.010 local terms energy: -669.908359 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -133.557 flat angles C4'-P-C4' energy: -142.994 flat angles P-C4'-P energy: -101.453 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: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1974.042018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.042018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.042018 (E_RNA) where: Base-Base interactions energy: -1313.337 where: short stacking energy: -596.864 Base-Backbone interact. energy: 4.735 local terms energy: -665.440287 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -143.718 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -157.648 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: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1807.118886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.118886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.118886 (E_RNA) where: Base-Base interactions energy: -1222.558 where: short stacking energy: -535.421 Base-Backbone interact. energy: -3.653 local terms energy: -580.907493 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -115.087 flat angles C4'-P-C4' energy: -138.376 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -124.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1329.416545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.416545 (E_RNA) where: Base-Base interactions energy: -821.165 where: short stacking energy: -378.370 Base-Backbone interact. energy: 0.596 local terms energy: -508.847615 where: bonds (distance) C4'-P energy: -119.241 bonds (distance) P-C4' energy: -135.678 flat angles C4'-P-C4' energy: -126.992 flat angles P-C4'-P energy: -60.870 tors. eta vs tors. theta energy: -66.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1110.006105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.006105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.006105 (E_RNA) where: Base-Base interactions energy: -630.813 where: short stacking energy: -299.172 Base-Backbone interact. energy: -2.307 local terms energy: -476.886239 where: bonds (distance) C4'-P energy: -105.462 bonds (distance) P-C4' energy: -132.015 flat angles C4'-P-C4' energy: -132.627 flat angles P-C4'-P energy: -79.480 tors. eta vs tors. theta energy: -27.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -723.114663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.114663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.114663 (E_RNA) where: Base-Base interactions energy: -326.944 where: short stacking energy: -203.894 Base-Backbone interact. energy: 0.773 local terms energy: -396.943418 where: bonds (distance) C4'-P energy: -110.695 bonds (distance) P-C4' energy: -119.764 flat angles C4'-P-C4' energy: -116.918 flat angles P-C4'-P energy: -57.149 tors. eta vs tors. theta energy: 7.582 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: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2691.694185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.694185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.694185 (E_RNA) where: Base-Base interactions energy: -1893.548 where: short stacking energy: -784.694 Base-Backbone interact. energy: -1.313 local terms energy: -796.833450 where: bonds (distance) C4'-P energy: -141.890 bonds (distance) P-C4' energy: -148.726 flat angles C4'-P-C4' energy: -178.326 flat angles P-C4'-P energy: -113.742 tors. eta vs tors. theta energy: -214.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2602.925091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.925091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.925091 (E_RNA) where: Base-Base interactions energy: -1808.003 where: short stacking energy: -793.814 Base-Backbone interact. energy: -1.266 local terms energy: -793.656679 where: bonds (distance) C4'-P energy: -136.863 bonds (distance) P-C4' energy: -158.926 flat angles C4'-P-C4' energy: -156.798 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -236.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2515.581899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.581899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.581899 (E_RNA) where: Base-Base interactions energy: -1786.741 where: short stacking energy: -716.436 Base-Backbone interact. energy: -1.858 local terms energy: -726.983340 where: bonds (distance) C4'-P energy: -112.702 bonds (distance) P-C4' energy: -144.166 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -100.195 tors. eta vs tors. theta energy: -201.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2268.407207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.407207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.407207 (E_RNA) where: Base-Base interactions energy: -1517.587 where: short stacking energy: -651.896 Base-Backbone interact. energy: -3.761 local terms energy: -747.059906 where: bonds (distance) C4'-P energy: -151.974 bonds (distance) P-C4' energy: -124.905 flat angles C4'-P-C4' energy: -154.880 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -215.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2105.047469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.047469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.047469 (E_RNA) where: Base-Base interactions energy: -1432.795 where: short stacking energy: -629.808 Base-Backbone interact. energy: -2.940 local terms energy: -669.312063 where: bonds (distance) C4'-P energy: -124.566 bonds (distance) P-C4' energy: -146.835 flat angles C4'-P-C4' energy: -144.024 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -168.416 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: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1966.728074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.728074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.728074 (E_RNA) where: Base-Base interactions energy: -1331.903 where: short stacking energy: -546.008 Base-Backbone interact. energy: -3.826 local terms energy: -630.998980 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -124.317 flat angles C4'-P-C4' energy: -150.973 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -136.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1887.975602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.975602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.975602 (E_RNA) where: Base-Base interactions energy: -1301.923 where: short stacking energy: -527.026 Base-Backbone interact. energy: -3.353 local terms energy: -582.699780 where: bonds (distance) C4'-P energy: -122.839 bonds (distance) P-C4' energy: -115.235 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -75.504 tors. eta vs tors. theta energy: -120.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1317.340925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.340925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.340925 (E_RNA) where: Base-Base interactions energy: -819.648 where: short stacking energy: -416.947 Base-Backbone interact. energy: 1.137 local terms energy: -498.830474 where: bonds (distance) C4'-P energy: -117.575 bonds (distance) P-C4' energy: -130.172 flat angles C4'-P-C4' energy: -103.401 flat angles P-C4'-P energy: -76.649 tors. eta vs tors. theta energy: -71.034 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1222.199853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.199853 (E_RNA) where: Base-Base interactions energy: -733.183 where: short stacking energy: -352.054 Base-Backbone interact. energy: -2.029 local terms energy: -486.988340 where: bonds (distance) C4'-P energy: -106.960 bonds (distance) P-C4' energy: -136.998 flat angles C4'-P-C4' energy: -116.917 flat angles P-C4'-P energy: -69.951 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: 234 Temperature: 1.350000 Total energy: -709.888393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.888393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.888393 (E_RNA) where: Base-Base interactions energy: -337.699 where: short stacking energy: -213.600 Base-Backbone interact. energy: 1.373 local terms energy: -373.562551 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -105.778 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: 20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2656.013618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.013618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.013618 (E_RNA) where: Base-Base interactions energy: -1873.912 where: short stacking energy: -739.731 Base-Backbone interact. energy: -2.534 local terms energy: -779.568037 where: bonds (distance) C4'-P energy: -145.533 bonds (distance) P-C4' energy: -147.027 flat angles C4'-P-C4' energy: -159.998 flat angles P-C4'-P energy: -119.116 tors. eta vs tors. theta energy: -207.895 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: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2548.742600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.742600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.742600 (E_RNA) where: Base-Base interactions energy: -1752.874 where: short stacking energy: -761.231 Base-Backbone interact. energy: -1.711 local terms energy: -794.157545 where: bonds (distance) C4'-P energy: -137.826 bonds (distance) P-C4' energy: -136.273 flat angles C4'-P-C4' energy: -187.555 flat angles P-C4'-P energy: -104.819 tors. eta vs tors. theta energy: -227.684 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: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2484.713964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.713964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.713964 (E_RNA) where: Base-Base interactions energy: -1733.216 where: short stacking energy: -717.004 Base-Backbone interact. energy: -0.191 local terms energy: -751.306512 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -147.054 flat angles P-C4'-P energy: -110.048 tors. eta vs tors. theta energy: -209.635 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: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2265.968930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.968930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.968930 (E_RNA) where: Base-Base interactions energy: -1510.944 where: short stacking energy: -695.543 Base-Backbone interact. energy: -1.518 local terms energy: -753.506692 where: bonds (distance) C4'-P energy: -136.201 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -164.795 flat angles P-C4'-P energy: -97.546 tors. eta vs tors. theta energy: -203.462 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: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2055.771070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.771070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.771070 (E_RNA) where: Base-Base interactions energy: -1382.136 where: short stacking energy: -583.467 Base-Backbone interact. energy: 1.726 local terms energy: -675.361596 where: bonds (distance) C4'-P energy: -134.571 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -148.215 flat angles P-C4'-P energy: -86.853 tors. eta vs tors. theta energy: -160.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2003.910643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.910643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.910643 (E_RNA) where: Base-Base interactions energy: -1331.316 where: short stacking energy: -577.613 Base-Backbone interact. energy: 1.182 local terms energy: -673.776760 where: bonds (distance) C4'-P energy: -120.142 bonds (distance) P-C4' energy: -148.050 flat angles C4'-P-C4' energy: -146.093 flat angles P-C4'-P energy: -104.827 tors. eta vs tors. theta energy: -154.666 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: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1832.090807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.090807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.090807 (E_RNA) where: Base-Base interactions energy: -1219.988 where: short stacking energy: -555.553 Base-Backbone interact. energy: 3.366 local terms energy: -615.468695 where: bonds (distance) C4'-P energy: -134.886 bonds (distance) P-C4' energy: -120.880 flat angles C4'-P-C4' energy: -139.917 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -134.156 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1280.755277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.755277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.755277 (E_RNA) where: Base-Base interactions energy: -798.529 where: short stacking energy: -385.592 Base-Backbone interact. energy: 1.531 local terms energy: -483.757681 where: bonds (distance) C4'-P energy: -122.352 bonds (distance) P-C4' energy: -130.493 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -65.245 tors. eta vs tors. theta energy: -47.848 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: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1236.604335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.604335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.604335 (E_RNA) where: Base-Base interactions energy: -748.684 where: short stacking energy: -340.651 Base-Backbone interact. energy: 1.065 local terms energy: -488.984525 where: bonds (distance) C4'-P energy: -136.255 bonds (distance) P-C4' energy: -120.537 flat angles C4'-P-C4' energy: -113.051 flat angles P-C4'-P energy: -74.343 tors. eta vs tors. theta energy: -44.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -675.142286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.142286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.142286 (E_RNA) where: Base-Base interactions energy: -268.062 where: short stacking energy: -175.791 Base-Backbone interact. energy: -5.183 local terms energy: -401.896571 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -100.268 flat angles P-C4'-P energy: -65.275 tors. eta vs tors. theta energy: 17.779 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: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2669.586281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.586281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.586281 (E_RNA) where: Base-Base interactions energy: -1881.932 where: short stacking energy: -769.881 Base-Backbone interact. energy: -2.372 local terms energy: -785.282036 where: bonds (distance) C4'-P energy: -153.808 bonds (distance) P-C4' energy: -139.357 flat angles C4'-P-C4' energy: -173.578 flat angles P-C4'-P energy: -112.549 tors. eta vs tors. theta energy: -205.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2540.950991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.950991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.950991 (E_RNA) where: Base-Base interactions energy: -1737.133 where: short stacking energy: -780.137 Base-Backbone interact. energy: -0.628 local terms energy: -803.190904 where: bonds (distance) C4'-P energy: -137.008 bonds (distance) P-C4' energy: -149.564 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -119.577 tors. eta vs tors. theta energy: -223.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2456.794454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.794454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.794454 (E_RNA) where: Base-Base interactions energy: -1710.571 where: short stacking energy: -684.969 Base-Backbone interact. energy: -4.458 local terms energy: -741.765783 where: bonds (distance) C4'-P energy: -144.793 bonds (distance) P-C4' energy: -136.288 flat angles C4'-P-C4' energy: -163.381 flat angles P-C4'-P energy: -96.704 tors. eta vs tors. theta energy: -200.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2244.326286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.326286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.326286 (E_RNA) where: Base-Base interactions energy: -1516.428 where: short stacking energy: -681.771 Base-Backbone interact. energy: -2.219 local terms energy: -725.679916 where: bonds (distance) C4'-P energy: -134.415 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -166.624 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -195.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2119.560069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.560069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.560069 (E_RNA) where: Base-Base interactions energy: -1441.766 where: short stacking energy: -629.074 Base-Backbone interact. energy: -4.688 local terms energy: -673.106255 where: bonds (distance) C4'-P energy: -136.789 bonds (distance) P-C4' energy: -129.458 flat angles C4'-P-C4' energy: -152.997 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -161.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1986.297909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.297909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.297909 (E_RNA) where: Base-Base interactions energy: -1326.894 where: short stacking energy: -553.076 Base-Backbone interact. energy: -0.372 local terms energy: -659.032329 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -122.242 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -98.694 tors. eta vs tors. theta energy: -148.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1724.317221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.317221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.317221 (E_RNA) where: Base-Base interactions energy: -1165.731 where: short stacking energy: -502.892 Base-Backbone interact. energy: 6.603 local terms energy: -565.189193 where: bonds (distance) C4'-P energy: -106.365 bonds (distance) P-C4' energy: -137.525 flat angles C4'-P-C4' energy: -125.142 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -109.306 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: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1297.330321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.330321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.330321 (E_RNA) where: Base-Base interactions energy: -795.784 where: short stacking energy: -358.811 Base-Backbone interact. energy: -1.490 local terms energy: -500.056723 where: bonds (distance) C4'-P energy: -130.651 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -127.480 flat angles P-C4'-P energy: -62.658 tors. eta vs tors. theta energy: -46.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1205.226531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.226531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.226531 (E_RNA) where: Base-Base interactions energy: -722.256 where: short stacking energy: -355.479 Base-Backbone interact. energy: 7.033 local terms energy: -490.003556 where: bonds (distance) C4'-P energy: -122.313 bonds (distance) P-C4' energy: -116.590 flat angles C4'-P-C4' energy: -129.239 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -51.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -683.684869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.684869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.684869 (E_RNA) where: Base-Base interactions energy: -302.406 where: short stacking energy: -211.935 Base-Backbone interact. energy: 11.734 local terms energy: -393.013149 where: bonds (distance) C4'-P energy: -117.396 bonds (distance) P-C4' energy: -116.603 flat angles C4'-P-C4' energy: -88.712 flat angles P-C4'-P energy: -71.228 tors. eta vs tors. theta energy: 0.925 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: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2661.515508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.515508 (E_RNA) where: Base-Base interactions energy: -1869.371 where: short stacking energy: -761.426 Base-Backbone interact. energy: -2.725 local terms energy: -789.419639 where: bonds (distance) C4'-P energy: -160.198 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -162.824 flat angles P-C4'-P energy: -111.814 tors. eta vs tors. theta energy: -204.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2577.451568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.451568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.451568 (E_RNA) where: Base-Base interactions energy: -1740.534 where: short stacking energy: -767.435 Base-Backbone interact. energy: -0.368 local terms energy: -836.550322 where: bonds (distance) C4'-P energy: -157.567 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -172.152 flat angles P-C4'-P energy: -125.897 tors. eta vs tors. theta energy: -231.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2470.137439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.137439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.137439 (E_RNA) where: Base-Base interactions energy: -1740.562 where: short stacking energy: -682.035 Base-Backbone interact. energy: 2.010 local terms energy: -731.585978 where: bonds (distance) C4'-P energy: -132.219 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -165.902 flat angles P-C4'-P energy: -90.771 tors. eta vs tors. theta energy: -189.604 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: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2241.185189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.185189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.185189 (E_RNA) where: Base-Base interactions energy: -1500.579 where: short stacking energy: -701.271 Base-Backbone interact. energy: -1.689 local terms energy: -738.917599 where: bonds (distance) C4'-P energy: -126.391 bonds (distance) P-C4' energy: -133.973 flat angles C4'-P-C4' energy: -171.072 flat angles P-C4'-P energy: -101.882 tors. eta vs tors. theta energy: -205.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2113.351639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.351639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.351639 (E_RNA) where: Base-Base interactions energy: -1428.692 where: short stacking energy: -613.793 Base-Backbone interact. energy: -3.256 local terms energy: -681.403032 where: bonds (distance) C4'-P energy: -128.323 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -139.114 flat angles P-C4'-P energy: -98.997 tors. eta vs tors. theta energy: -169.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1958.167675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.167675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.167675 (E_RNA) where: Base-Base interactions energy: -1362.205 where: short stacking energy: -570.445 Base-Backbone interact. energy: 6.419 local terms energy: -602.381836 where: bonds (distance) C4'-P energy: -122.841 bonds (distance) P-C4' energy: -124.738 flat angles C4'-P-C4' energy: -144.506 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -131.781 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: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1799.197190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.197190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.197190 (E_RNA) where: Base-Base interactions energy: -1210.541 where: short stacking energy: -531.882 Base-Backbone interact. energy: -2.984 local terms energy: -585.672746 where: bonds (distance) C4'-P energy: -126.256 bonds (distance) P-C4' energy: -127.733 flat angles C4'-P-C4' energy: -140.578 flat angles P-C4'-P energy: -63.543 tors. eta vs tors. theta energy: -127.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1422.725934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.725934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.725934 (E_RNA) where: Base-Base interactions energy: -846.058 where: short stacking energy: -397.635 Base-Backbone interact. energy: 1.559 local terms energy: -578.227123 where: bonds (distance) C4'-P energy: -148.144 bonds (distance) P-C4' energy: -142.027 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -94.872 tors. eta vs tors. theta energy: -56.175 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: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1229.653216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.653216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.653216 (E_RNA) where: Base-Base interactions energy: -738.603 where: short stacking energy: -328.784 Base-Backbone interact. energy: 1.281 local terms energy: -492.331355 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -122.673 flat angles C4'-P-C4' energy: -113.007 flat angles P-C4'-P energy: -67.978 tors. eta vs tors. theta energy: -69.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -657.119692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.119692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.119692 (E_RNA) where: Base-Base interactions energy: -304.043 where: short stacking energy: -200.985 Base-Backbone interact. energy: -1.506 local terms energy: -351.570842 where: bonds (distance) C4'-P energy: -99.301 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -94.234 flat angles P-C4'-P energy: -55.625 tors. eta vs tors. theta energy: 22.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2679.465151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.465151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.465151 (E_RNA) where: Base-Base interactions energy: -1867.774 where: short stacking energy: -751.451 Base-Backbone interact. energy: -0.874 local terms energy: -810.817212 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -169.558 flat angles C4'-P-C4' energy: -171.238 flat angles P-C4'-P energy: -108.210 tors. eta vs tors. theta energy: -209.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2549.401328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.401328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.401328 (E_RNA) where: Base-Base interactions energy: -1738.922 where: short stacking energy: -762.069 Base-Backbone interact. energy: -1.139 local terms energy: -809.340152 where: bonds (distance) C4'-P energy: -146.862 bonds (distance) P-C4' energy: -152.909 flat angles C4'-P-C4' energy: -165.881 flat angles P-C4'-P energy: -107.865 tors. eta vs tors. theta energy: -235.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2485.168580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.168580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.168580 (E_RNA) where: Base-Base interactions energy: -1760.883 where: short stacking energy: -683.817 Base-Backbone interact. energy: 2.205 local terms energy: -726.490272 where: bonds (distance) C4'-P energy: -146.168 bonds (distance) P-C4' energy: -147.883 flat angles C4'-P-C4' energy: -157.706 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: -192.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2226.348090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.348090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.348090 (E_RNA) where: Base-Base interactions energy: -1515.021 where: short stacking energy: -675.575 Base-Backbone interact. energy: -2.423 local terms energy: -708.903928 where: bonds (distance) C4'-P energy: -111.871 bonds (distance) P-C4' energy: -141.418 flat angles C4'-P-C4' energy: -169.891 flat angles P-C4'-P energy: -88.950 tors. eta vs tors. theta energy: -196.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2093.560150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.560150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.560150 (E_RNA) where: Base-Base interactions energy: -1420.390 where: short stacking energy: -630.281 Base-Backbone interact. energy: -3.997 local terms energy: -669.173548 where: bonds (distance) C4'-P energy: -121.837 bonds (distance) P-C4' energy: -127.298 flat angles C4'-P-C4' energy: -138.436 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -178.152 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2011.428855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.428855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.428855 (E_RNA) where: Base-Base interactions energy: -1390.614 where: short stacking energy: -572.536 Base-Backbone interact. energy: 0.338 local terms energy: -621.153298 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -137.434 flat angles P-C4'-P energy: -82.397 tors. eta vs tors. theta energy: -143.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1836.400177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.400177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.400177 (E_RNA) where: Base-Base interactions energy: -1230.519 where: short stacking energy: -513.484 Base-Backbone interact. energy: 1.583 local terms energy: -607.463928 where: bonds (distance) C4'-P energy: -126.326 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -142.265 flat angles P-C4'-P energy: -86.906 tors. eta vs tors. theta energy: -124.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1379.812322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.812322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.812322 (E_RNA) where: Base-Base interactions energy: -847.660 where: short stacking energy: -401.720 Base-Backbone interact. energy: -2.432 local terms energy: -529.719813 where: bonds (distance) C4'-P energy: -112.901 bonds (distance) P-C4' energy: -140.713 flat angles C4'-P-C4' energy: -130.421 flat angles P-C4'-P energy: -83.116 tors. eta vs tors. theta energy: -62.570 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: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1196.901641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.901641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.901641 (E_RNA) where: Base-Base interactions energy: -717.006 where: short stacking energy: -353.375 Base-Backbone interact. energy: -0.387 local terms energy: -479.508522 where: bonds (distance) C4'-P energy: -115.122 bonds (distance) P-C4' energy: -115.073 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -86.721 tors. eta vs tors. theta energy: -45.203 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: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -689.487131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.487131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.487131 (E_RNA) where: Base-Base interactions energy: -286.275 where: short stacking energy: -187.434 Base-Backbone interact. energy: 0.224 local terms energy: -403.436064 where: bonds (distance) C4'-P energy: -131.076 bonds (distance) P-C4' energy: -108.944 flat angles C4'-P-C4' energy: -110.545 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: 15.817 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: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2709.561761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.561761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.561761 (E_RNA) where: Base-Base interactions energy: -1909.651 where: short stacking energy: -773.086 Base-Backbone interact. energy: 9.433 local terms energy: -809.343618 where: bonds (distance) C4'-P energy: -147.503 bonds (distance) P-C4' energy: -165.610 flat angles C4'-P-C4' energy: -173.148 flat angles P-C4'-P energy: -110.131 tors. eta vs tors. theta energy: -212.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2548.442239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.442239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.442239 (E_RNA) where: Base-Base interactions energy: -1755.319 where: short stacking energy: -753.286 Base-Backbone interact. energy: -1.690 local terms energy: -791.433029 where: bonds (distance) C4'-P energy: -149.847 bonds (distance) P-C4' energy: -142.612 flat angles C4'-P-C4' energy: -162.814 flat angles P-C4'-P energy: -113.081 tors. eta vs tors. theta energy: -223.078 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: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2463.077102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.077102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.077102 (E_RNA) where: Base-Base interactions energy: -1740.360 where: short stacking energy: -705.414 Base-Backbone interact. energy: 0.670 local terms energy: -723.386692 where: bonds (distance) C4'-P energy: -136.370 bonds (distance) P-C4' energy: -136.160 flat angles C4'-P-C4' energy: -158.738 flat angles P-C4'-P energy: -97.168 tors. eta vs tors. theta energy: -194.951 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: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2215.930549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.930549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.930549 (E_RNA) where: Base-Base interactions energy: -1508.068 where: short stacking energy: -666.086 Base-Backbone interact. energy: -2.728 local terms energy: -705.134500 where: bonds (distance) C4'-P energy: -127.903 bonds (distance) P-C4' energy: -141.644 flat angles C4'-P-C4' energy: -145.504 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -194.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2066.261367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.261367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.261367 (E_RNA) where: Base-Base interactions energy: -1406.917 where: short stacking energy: -619.364 Base-Backbone interact. energy: -0.478 local terms energy: -658.865944 where: bonds (distance) C4'-P energy: -129.580 bonds (distance) P-C4' energy: -138.062 flat angles C4'-P-C4' energy: -124.812 flat angles P-C4'-P energy: -91.863 tors. eta vs tors. theta energy: -174.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1957.952973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.952973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.952973 (E_RNA) where: Base-Base interactions energy: -1317.513 where: short stacking energy: -533.166 Base-Backbone interact. energy: -3.264 local terms energy: -637.176593 where: bonds (distance) C4'-P energy: -129.726 bonds (distance) P-C4' energy: -145.549 flat angles C4'-P-C4' energy: -134.451 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -132.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1847.716437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.716437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.716437 (E_RNA) where: Base-Base interactions energy: -1247.895 where: short stacking energy: -516.199 Base-Backbone interact. energy: -2.941 local terms energy: -596.880665 where: bonds (distance) C4'-P energy: -128.528 bonds (distance) P-C4' energy: -137.693 flat angles C4'-P-C4' energy: -129.991 flat angles P-C4'-P energy: -84.278 tors. eta vs tors. theta energy: -116.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1430.290820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.290820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.290820 (E_RNA) where: Base-Base interactions energy: -906.787 where: short stacking energy: -422.979 Base-Backbone interact. energy: 1.805 local terms energy: -525.308824 where: bonds (distance) C4'-P energy: -101.809 bonds (distance) P-C4' energy: -131.424 flat angles C4'-P-C4' energy: -130.169 flat angles P-C4'-P energy: -76.559 tors. eta vs tors. theta energy: -85.347 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: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1177.343894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.343894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.343894 (E_RNA) where: Base-Base interactions energy: -723.147 where: short stacking energy: -306.785 Base-Backbone interact. energy: 0.444 local terms energy: -454.641273 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -117.616 flat angles C4'-P-C4' energy: -121.217 flat angles P-C4'-P energy: -65.525 tors. eta vs tors. theta energy: -26.444 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: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -686.209264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.209264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.209264 (E_RNA) where: Base-Base interactions energy: -290.483 where: short stacking energy: -198.114 Base-Backbone interact. energy: 2.118 local terms energy: -397.843754 where: bonds (distance) C4'-P energy: -125.081 bonds (distance) P-C4' energy: -129.192 flat angles C4'-P-C4' energy: -109.232 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: 9.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2667.851734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.851734 (E_RNA) where: Base-Base interactions energy: -1881.989 where: short stacking energy: -761.927 Base-Backbone interact. energy: -2.892 local terms energy: -782.969969 where: bonds (distance) C4'-P energy: -136.926 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -168.282 flat angles P-C4'-P energy: -117.665 tors. eta vs tors. theta energy: -205.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2540.653698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.653698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.653698 (E_RNA) where: Base-Base interactions energy: -1759.199 where: short stacking energy: -778.151 Base-Backbone interact. energy: -0.366 local terms energy: -781.088372 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -123.800 flat angles C4'-P-C4' energy: -166.073 flat angles P-C4'-P energy: -120.366 tors. eta vs tors. theta energy: -220.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2455.136136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.136136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.136136 (E_RNA) where: Base-Base interactions energy: -1728.565 where: short stacking energy: -677.339 Base-Backbone interact. energy: -4.441 local terms energy: -722.130217 where: bonds (distance) C4'-P energy: -141.574 bonds (distance) P-C4' energy: -136.241 flat angles C4'-P-C4' energy: -160.803 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -199.220 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: 4, replica: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2219.792209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.792209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.792209 (E_RNA) where: Base-Base interactions energy: -1508.950 where: short stacking energy: -675.999 Base-Backbone interact. energy: -4.547 local terms energy: -706.295996 where: bonds (distance) C4'-P energy: -137.489 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -149.109 flat angles P-C4'-P energy: -89.092 tors. eta vs tors. theta energy: -194.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2067.255073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.255073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.255073 (E_RNA) where: Base-Base interactions energy: -1383.978 where: short stacking energy: -600.920 Base-Backbone interact. energy: -0.684 local terms energy: -682.593424 where: bonds (distance) C4'-P energy: -129.963 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -149.213 flat angles P-C4'-P energy: -100.184 tors. eta vs tors. theta energy: -152.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1951.165734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.165734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.165734 (E_RNA) where: Base-Base interactions energy: -1291.070 where: short stacking energy: -538.012 Base-Backbone interact. energy: -0.861 local terms energy: -659.235409 where: bonds (distance) C4'-P energy: -125.397 bonds (distance) P-C4' energy: -143.713 flat angles C4'-P-C4' energy: -148.570 flat angles P-C4'-P energy: -100.969 tors. eta vs tors. theta energy: -140.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1800.499175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.499175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.499175 (E_RNA) where: Base-Base interactions energy: -1199.227 where: short stacking energy: -530.876 Base-Backbone interact. energy: 1.354 local terms energy: -602.625951 where: bonds (distance) C4'-P energy: -109.434 bonds (distance) P-C4' energy: -131.458 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -95.539 tors. eta vs tors. theta energy: -131.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1432.954385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.954385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.954385 (E_RNA) where: Base-Base interactions energy: -909.083 where: short stacking energy: -434.313 Base-Backbone interact. energy: -4.234 local terms energy: -519.637447 where: bonds (distance) C4'-P energy: -131.131 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -125.029 flat angles P-C4'-P energy: -58.347 tors. eta vs tors. theta energy: -99.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1184.166716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.166716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.166716 (E_RNA) where: Base-Base interactions energy: -714.510 where: short stacking energy: -311.236 Base-Backbone interact. energy: -3.150 local terms energy: -466.507259 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -115.354 flat angles C4'-P-C4' energy: -110.691 flat angles P-C4'-P energy: -75.351 tors. eta vs tors. theta energy: -48.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -728.268718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.268718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.268718 (E_RNA) where: Base-Base interactions energy: -336.614 where: short stacking energy: -223.250 Base-Backbone interact. energy: -3.583 local terms energy: -388.072021 where: bonds (distance) C4'-P energy: -112.252 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -99.029 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: 13.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2694.930424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.930424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.930424 (E_RNA) where: Base-Base interactions energy: -1892.209 where: short stacking energy: -766.694 Base-Backbone interact. energy: -0.402 local terms energy: -802.318533 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -148.864 flat angles C4'-P-C4' energy: -172.178 flat angles P-C4'-P energy: -119.003 tors. eta vs tors. theta energy: -202.702 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: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2529.882165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.882165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.882165 (E_RNA) where: Base-Base interactions energy: -1738.702 where: short stacking energy: -747.062 Base-Backbone interact. energy: -1.969 local terms energy: -789.210622 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -151.499 flat angles C4'-P-C4' energy: -173.451 flat angles P-C4'-P energy: -112.536 tors. eta vs tors. theta energy: -211.034 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2469.802478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.802478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.802478 (E_RNA) where: Base-Base interactions energy: -1732.882 where: short stacking energy: -687.045 Base-Backbone interact. energy: -4.816 local terms energy: -732.104630 where: bonds (distance) C4'-P energy: -135.739 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -157.812 flat angles P-C4'-P energy: -88.183 tors. eta vs tors. theta energy: -190.736 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: 4, replica: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2210.771189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.771189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.771189 (E_RNA) where: Base-Base interactions energy: -1479.778 where: short stacking energy: -655.668 Base-Backbone interact. energy: 0.241 local terms energy: -731.234409 where: bonds (distance) C4'-P energy: -144.872 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -151.855 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -180.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2061.618602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.618602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.618602 (E_RNA) where: Base-Base interactions energy: -1411.052 where: short stacking energy: -604.558 Base-Backbone interact. energy: -1.786 local terms energy: -648.780106 where: bonds (distance) C4'-P energy: -105.770 bonds (distance) P-C4' energy: -134.784 flat angles C4'-P-C4' energy: -152.532 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -162.028 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: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1942.444575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.444575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.444575 (E_RNA) where: Base-Base interactions energy: -1316.124 where: short stacking energy: -564.488 Base-Backbone interact. energy: -3.154 local terms energy: -623.165715 where: bonds (distance) C4'-P energy: -118.697 bonds (distance) P-C4' energy: -117.838 flat angles C4'-P-C4' energy: -151.091 flat angles P-C4'-P energy: -92.549 tors. eta vs tors. theta energy: -142.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1754.615453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.615453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.615453 (E_RNA) where: Base-Base interactions energy: -1174.729 where: short stacking energy: -492.412 Base-Backbone interact. energy: 6.562 local terms energy: -586.449327 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -135.607 flat angles C4'-P-C4' energy: -139.298 flat angles P-C4'-P energy: -90.354 tors. eta vs tors. theta energy: -108.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1457.307741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.307741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.307741 (E_RNA) where: Base-Base interactions energy: -925.820 where: short stacking energy: -400.611 Base-Backbone interact. energy: -2.109 local terms energy: -529.378713 where: bonds (distance) C4'-P energy: -102.680 bonds (distance) P-C4' energy: -126.060 flat angles C4'-P-C4' energy: -144.550 flat angles P-C4'-P energy: -88.483 tors. eta vs tors. theta energy: -67.606 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: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1195.120115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.120115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.120115 (E_RNA) where: Base-Base interactions energy: -693.318 where: short stacking energy: -317.059 Base-Backbone interact. energy: -0.211 local terms energy: -501.591026 where: bonds (distance) C4'-P energy: -123.673 bonds (distance) P-C4' energy: -144.961 flat angles C4'-P-C4' energy: -111.493 flat angles P-C4'-P energy: -88.392 tors. eta vs tors. theta energy: -33.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -711.585352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.585352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.585352 (E_RNA) where: Base-Base interactions energy: -352.406 where: short stacking energy: -209.148 Base-Backbone interact. energy: -1.734 local terms energy: -357.444686 where: bonds (distance) C4'-P energy: -98.689 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: 19.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2674.231973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.231973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.231973 (E_RNA) where: Base-Base interactions energy: -1858.592 where: short stacking energy: -746.282 Base-Backbone interact. energy: -2.488 local terms energy: -813.152244 where: bonds (distance) C4'-P energy: -153.811 bonds (distance) P-C4' energy: -157.268 flat angles C4'-P-C4' energy: -167.148 flat angles P-C4'-P energy: -124.440 tors. eta vs tors. theta energy: -210.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2507.004176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.004176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.004176 (E_RNA) where: Base-Base interactions energy: -1714.790 where: short stacking energy: -751.345 Base-Backbone interact. energy: 0.825 local terms energy: -793.038298 where: bonds (distance) C4'-P energy: -149.786 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -169.885 flat angles P-C4'-P energy: -114.204 tors. eta vs tors. theta energy: -210.362 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: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2464.888267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.888267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.888267 (E_RNA) where: Base-Base interactions energy: -1729.632 where: short stacking energy: -675.975 Base-Backbone interact. energy: -2.476 local terms energy: -732.779810 where: bonds (distance) C4'-P energy: -143.450 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -154.676 flat angles P-C4'-P energy: -91.290 tors. eta vs tors. theta energy: -189.745 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: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2233.443367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.443367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.443367 (E_RNA) where: Base-Base interactions energy: -1500.196 where: short stacking energy: -687.278 Base-Backbone interact. energy: -2.720 local terms energy: -730.527474 where: bonds (distance) C4'-P energy: -126.049 bonds (distance) P-C4' energy: -146.856 flat angles C4'-P-C4' energy: -152.668 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -200.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2040.536579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.536579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.536579 (E_RNA) where: Base-Base interactions energy: -1348.888 where: short stacking energy: -580.291 Base-Backbone interact. energy: -2.723 local terms energy: -688.925882 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -139.617 flat angles C4'-P-C4' energy: -158.811 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -148.285 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: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1936.576142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.576142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.576142 (E_RNA) where: Base-Base interactions energy: -1321.873 where: short stacking energy: -565.896 Base-Backbone interact. energy: -1.783 local terms energy: -612.920125 where: bonds (distance) C4'-P energy: -105.592 bonds (distance) P-C4' energy: -130.850 flat angles C4'-P-C4' energy: -135.112 flat angles P-C4'-P energy: -91.500 tors. eta vs tors. theta energy: -149.866 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: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1803.540610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.540610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.540610 (E_RNA) where: Base-Base interactions energy: -1226.390 where: short stacking energy: -543.825 Base-Backbone interact. energy: 11.922 local terms energy: -589.073391 where: bonds (distance) C4'-P energy: -114.409 bonds (distance) P-C4' energy: -127.447 flat angles C4'-P-C4' energy: -130.505 flat angles P-C4'-P energy: -90.115 tors. eta vs tors. theta energy: -126.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1483.397962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.397962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.397962 (E_RNA) where: Base-Base interactions energy: -950.024 where: short stacking energy: -403.909 Base-Backbone interact. energy: -0.086 local terms energy: -533.287159 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -124.570 flat angles C4'-P-C4' energy: -133.557 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -83.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1229.084776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.084776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.084776 (E_RNA) where: Base-Base interactions energy: -739.823 where: short stacking energy: -348.199 Base-Backbone interact. energy: 2.209 local terms energy: -491.470917 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -115.369 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -69.423 tors. eta vs tors. theta energy: -49.170 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: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -714.665224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.665224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.665224 (E_RNA) where: Base-Base interactions energy: -303.505 where: short stacking energy: -178.425 Base-Backbone interact. energy: -1.702 local terms energy: -409.457933 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -121.567 flat angles P-C4'-P energy: -57.741 tors. eta vs tors. theta energy: 25.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2693.872841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.872841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.872841 (E_RNA) where: Base-Base interactions energy: -1893.032 where: short stacking energy: -782.616 Base-Backbone interact. energy: -4.904 local terms energy: -795.936790 where: bonds (distance) C4'-P energy: -147.868 bonds (distance) P-C4' energy: -148.645 flat angles C4'-P-C4' energy: -157.915 flat angles P-C4'-P energy: -109.803 tors. eta vs tors. theta energy: -231.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2529.373572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.373572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.373572 (E_RNA) where: Base-Base interactions energy: -1757.057 where: short stacking energy: -775.254 Base-Backbone interact. energy: -3.768 local terms energy: -768.549318 where: bonds (distance) C4'-P energy: -147.498 bonds (distance) P-C4' energy: -134.002 flat angles C4'-P-C4' energy: -172.298 flat angles P-C4'-P energy: -98.527 tors. eta vs tors. theta energy: -216.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2472.732438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.732438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.732438 (E_RNA) where: Base-Base interactions energy: -1700.851 where: short stacking energy: -665.605 Base-Backbone interact. energy: -5.851 local terms energy: -766.029942 where: bonds (distance) C4'-P energy: -138.798 bonds (distance) P-C4' energy: -150.410 flat angles C4'-P-C4' energy: -166.840 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -201.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2290.832682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.832682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.832682 (E_RNA) where: Base-Base interactions energy: -1545.718 where: short stacking energy: -677.599 Base-Backbone interact. energy: -0.435 local terms energy: -744.679281 where: bonds (distance) C4'-P energy: -151.333 bonds (distance) P-C4' energy: -145.009 flat angles C4'-P-C4' energy: -158.439 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -198.812 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: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2019.667615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.667615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.667615 (E_RNA) where: Base-Base interactions energy: -1379.662 where: short stacking energy: -567.609 Base-Backbone interact. energy: -3.218 local terms energy: -636.787905 where: bonds (distance) C4'-P energy: -139.254 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -80.502 tors. eta vs tors. theta energy: -141.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1919.460128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.460128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.460128 (E_RNA) where: Base-Base interactions energy: -1279.809 where: short stacking energy: -540.080 Base-Backbone interact. energy: 2.493 local terms energy: -642.143822 where: bonds (distance) C4'-P energy: -140.464 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -146.493 flat angles P-C4'-P energy: -97.181 tors. eta vs tors. theta energy: -136.986 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: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1857.797679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.797679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.797679 (E_RNA) where: Base-Base interactions energy: -1238.662 where: short stacking energy: -544.916 Base-Backbone interact. energy: -2.092 local terms energy: -617.043301 where: bonds (distance) C4'-P energy: -128.317 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -131.887 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -136.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1564.110223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.110223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.110223 (E_RNA) where: Base-Base interactions energy: -980.889 where: short stacking energy: -439.558 Base-Backbone interact. energy: -2.804 local terms energy: -580.417523 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -151.407 flat angles P-C4'-P energy: -86.677 tors. eta vs tors. theta energy: -95.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1241.660727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.660727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.660727 (E_RNA) where: Base-Base interactions energy: -770.585 where: short stacking energy: -342.949 Base-Backbone interact. energy: -1.270 local terms energy: -469.805549 where: bonds (distance) C4'-P energy: -134.250 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -115.431 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -41.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -670.272025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.272025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.272025 (E_RNA) where: Base-Base interactions energy: -315.658 where: short stacking energy: -211.977 Base-Backbone interact. energy: 2.514 local terms energy: -357.127832 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -122.685 flat angles C4'-P-C4' energy: -65.663 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: 20.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2737.664488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.664488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.664488 (E_RNA) where: Base-Base interactions energy: -1963.862 where: short stacking energy: -812.436 Base-Backbone interact. energy: 1.085 local terms energy: -774.887336 where: bonds (distance) C4'-P energy: -141.811 bonds (distance) P-C4' energy: -139.317 flat angles C4'-P-C4' energy: -164.677 flat angles P-C4'-P energy: -107.848 tors. eta vs tors. theta energy: -221.234 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: 2, replica: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2542.406776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.406776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.406776 (E_RNA) where: Base-Base interactions energy: -1754.456 where: short stacking energy: -777.714 Base-Backbone interact. energy: -3.147 local terms energy: -784.803685 where: bonds (distance) C4'-P energy: -142.532 bonds (distance) P-C4' energy: -158.740 flat angles C4'-P-C4' energy: -160.179 flat angles P-C4'-P energy: -110.960 tors. eta vs tors. theta energy: -212.393 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: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2438.108186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.108186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.108186 (E_RNA) where: Base-Base interactions energy: -1682.524 where: short stacking energy: -674.438 Base-Backbone interact. energy: -3.199 local terms energy: -752.384811 where: bonds (distance) C4'-P energy: -149.498 bonds (distance) P-C4' energy: -152.159 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -100.382 tors. eta vs tors. theta energy: -193.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2249.753097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.753097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.753097 (E_RNA) where: Base-Base interactions energy: -1527.892 where: short stacking energy: -675.550 Base-Backbone interact. energy: -2.284 local terms energy: -719.576839 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -128.541 flat angles C4'-P-C4' energy: -157.138 flat angles P-C4'-P energy: -107.656 tors. eta vs tors. theta energy: -203.255 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: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2005.658899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.658899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.658899 (E_RNA) where: Base-Base interactions energy: -1363.156 where: short stacking energy: -594.876 Base-Backbone interact. energy: 1.586 local terms energy: -644.089484 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -143.630 flat angles C4'-P-C4' energy: -130.040 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -153.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1955.718983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.718983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.718983 (E_RNA) where: Base-Base interactions energy: -1327.219 where: short stacking energy: -575.318 Base-Backbone interact. energy: 1.021 local terms energy: -629.520972 where: bonds (distance) C4'-P energy: -128.141 bonds (distance) P-C4' energy: -125.171 flat angles C4'-P-C4' energy: -141.099 flat angles P-C4'-P energy: -87.866 tors. eta vs tors. theta energy: -147.244 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: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1684.905543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.905543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.905543 (E_RNA) where: Base-Base interactions energy: -1154.588 where: short stacking energy: -461.669 Base-Backbone interact. energy: -2.349 local terms energy: -527.968771 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -134.410 flat angles C4'-P-C4' energy: -119.559 flat angles P-C4'-P energy: -66.146 tors. eta vs tors. theta energy: -91.239 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: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1507.886476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.886476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.886476 (E_RNA) where: Base-Base interactions energy: -986.217 where: short stacking energy: -439.401 Base-Backbone interact. energy: -1.244 local terms energy: -520.424947 where: bonds (distance) C4'-P energy: -118.479 bonds (distance) P-C4' energy: -116.276 flat angles C4'-P-C4' energy: -129.289 flat angles P-C4'-P energy: -77.596 tors. eta vs tors. theta energy: -78.785 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: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1164.587425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.587425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.587425 (E_RNA) where: Base-Base interactions energy: -674.582 where: short stacking energy: -344.082 Base-Backbone interact. energy: -1.415 local terms energy: -488.590521 where: bonds (distance) C4'-P energy: -117.435 bonds (distance) P-C4' energy: -132.733 flat angles C4'-P-C4' energy: -121.944 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -54.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -621.229955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.229955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.229955 (E_RNA) where: Base-Base interactions energy: -249.304 where: short stacking energy: -160.077 Base-Backbone interact. energy: 7.090 local terms energy: -379.015504 where: bonds (distance) C4'-P energy: -115.439 bonds (distance) P-C4' energy: -124.361 flat angles C4'-P-C4' energy: -90.707 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: 20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2660.079701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.079701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.079701 (E_RNA) where: Base-Base interactions energy: -1843.368 where: short stacking energy: -755.026 Base-Backbone interact. energy: -0.554 local terms energy: -816.158048 where: bonds (distance) C4'-P energy: -157.125 bonds (distance) P-C4' energy: -166.343 flat angles C4'-P-C4' energy: -165.532 flat angles P-C4'-P energy: -116.950 tors. eta vs tors. theta energy: -210.207 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: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2586.623945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.623945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.623945 (E_RNA) where: Base-Base interactions energy: -1784.785 where: short stacking energy: -782.301 Base-Backbone interact. energy: 0.075 local terms energy: -801.913946 where: bonds (distance) C4'-P energy: -129.389 bonds (distance) P-C4' energy: -152.880 flat angles C4'-P-C4' energy: -168.001 flat angles P-C4'-P energy: -124.179 tors. eta vs tors. theta energy: -227.465 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: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2455.247613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.247613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.247613 (E_RNA) where: Base-Base interactions energy: -1707.585 where: short stacking energy: -723.917 Base-Backbone interact. energy: 0.715 local terms energy: -748.377169 where: bonds (distance) C4'-P energy: -144.655 bonds (distance) P-C4' energy: -134.556 flat angles C4'-P-C4' energy: -159.546 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -204.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2274.658011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.658011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.658011 (E_RNA) where: Base-Base interactions energy: -1524.574 where: short stacking energy: -656.599 Base-Backbone interact. energy: -2.175 local terms energy: -747.909035 where: bonds (distance) C4'-P energy: -130.131 bonds (distance) P-C4' energy: -134.580 flat angles C4'-P-C4' energy: -160.039 flat angles P-C4'-P energy: -123.313 tors. eta vs tors. theta energy: -199.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1990.879340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.879340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.879340 (E_RNA) where: Base-Base interactions energy: -1319.567 where: short stacking energy: -578.772 Base-Backbone interact. energy: -1.664 local terms energy: -669.647551 where: bonds (distance) C4'-P energy: -130.912 bonds (distance) P-C4' energy: -124.863 flat angles C4'-P-C4' energy: -140.103 flat angles P-C4'-P energy: -112.262 tors. eta vs tors. theta energy: -161.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1984.539435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.539435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.539435 (E_RNA) where: Base-Base interactions energy: -1350.071 where: short stacking energy: -569.217 Base-Backbone interact. energy: -2.178 local terms energy: -632.290187 where: bonds (distance) C4'-P energy: -133.625 bonds (distance) P-C4' energy: -121.226 flat angles C4'-P-C4' energy: -148.590 flat angles P-C4'-P energy: -83.021 tors. eta vs tors. theta energy: -145.829 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: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1703.069492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.069492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.069492 (E_RNA) where: Base-Base interactions energy: -1127.991 where: short stacking energy: -502.332 Base-Backbone interact. energy: 1.705 local terms energy: -576.783285 where: bonds (distance) C4'-P energy: -110.241 bonds (distance) P-C4' energy: -139.424 flat angles C4'-P-C4' energy: -116.600 flat angles P-C4'-P energy: -91.423 tors. eta vs tors. theta energy: -119.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1455.312742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.312742 (E_RNA) where: Base-Base interactions energy: -902.951 where: short stacking energy: -425.637 Base-Backbone interact. energy: 2.156 local terms energy: -554.517803 where: bonds (distance) C4'-P energy: -140.334 bonds (distance) P-C4' energy: -131.093 flat angles C4'-P-C4' energy: -126.265 flat angles P-C4'-P energy: -80.206 tors. eta vs tors. theta energy: -76.619 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: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1171.456677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.456677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.456677 (E_RNA) where: Base-Base interactions energy: -694.292 where: short stacking energy: -303.461 Base-Backbone interact. energy: 0.201 local terms energy: -477.365879 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -120.629 flat angles C4'-P-C4' energy: -132.496 flat angles P-C4'-P energy: -75.874 tors. eta vs tors. theta energy: -33.280 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: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -692.621006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.621006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.621006 (E_RNA) where: Base-Base interactions energy: -302.092 where: short stacking energy: -211.258 Base-Backbone interact. energy: 1.008 local terms energy: -391.536737 where: bonds (distance) C4'-P energy: -128.414 bonds (distance) P-C4' energy: -120.773 flat angles C4'-P-C4' energy: -84.088 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: 3.265 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: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2680.156019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.156019 (E_RNA) where: Base-Base interactions energy: -1895.383 where: short stacking energy: -759.595 Base-Backbone interact. energy: 3.809 local terms energy: -788.582207 where: bonds (distance) C4'-P energy: -139.916 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -170.534 flat angles P-C4'-P energy: -113.966 tors. eta vs tors. theta energy: -218.557 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: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2585.403799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.403799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.403799 (E_RNA) where: Base-Base interactions energy: -1801.352 where: short stacking energy: -775.438 Base-Backbone interact. energy: -3.109 local terms energy: -780.943056 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -164.893 flat angles P-C4'-P energy: -111.791 tors. eta vs tors. theta energy: -216.898 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: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2476.563213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.563213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.563213 (E_RNA) where: Base-Base interactions energy: -1701.887 where: short stacking energy: -711.697 Base-Backbone interact. energy: -2.032 local terms energy: -772.644082 where: bonds (distance) C4'-P energy: -153.341 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -162.463 flat angles P-C4'-P energy: -102.411 tors. eta vs tors. theta energy: -209.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2232.429554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.429554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.429554 (E_RNA) where: Base-Base interactions energy: -1501.944 where: short stacking energy: -703.194 Base-Backbone interact. energy: -2.838 local terms energy: -727.646982 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -151.758 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -202.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1964.978788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.978788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.978788 (E_RNA) where: Base-Base interactions energy: -1304.538 where: short stacking energy: -541.447 Base-Backbone interact. energy: -1.126 local terms energy: -659.315035 where: bonds (distance) C4'-P energy: -131.085 bonds (distance) P-C4' energy: -143.374 flat angles C4'-P-C4' energy: -149.650 flat angles P-C4'-P energy: -99.178 tors. eta vs tors. theta energy: -136.029 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1982.143408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.143408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.143408 (E_RNA) where: Base-Base interactions energy: -1330.272 where: short stacking energy: -551.730 Base-Backbone interact. energy: 0.510 local terms energy: -652.381364 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -114.635 tors. eta vs tors. theta energy: -148.832 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: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1728.727971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.727971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.727971 (E_RNA) where: Base-Base interactions energy: -1147.386 where: short stacking energy: -491.298 Base-Backbone interact. energy: -4.294 local terms energy: -577.047704 where: bonds (distance) C4'-P energy: -125.618 bonds (distance) P-C4' energy: -119.519 flat angles C4'-P-C4' energy: -120.046 flat angles P-C4'-P energy: -89.911 tors. eta vs tors. theta energy: -121.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1503.235183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.235183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.235183 (E_RNA) where: Base-Base interactions energy: -924.436 where: short stacking energy: -440.330 Base-Backbone interact. energy: -3.185 local terms energy: -575.613772 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -140.186 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -81.358 tors. eta vs tors. theta energy: -108.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1142.693655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.693655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.693655 (E_RNA) where: Base-Base interactions energy: -674.614 where: short stacking energy: -317.732 Base-Backbone interact. energy: 2.508 local terms energy: -470.587686 where: bonds (distance) C4'-P energy: -123.183 bonds (distance) P-C4' energy: -118.670 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -70.824 tors. eta vs tors. theta energy: -38.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -807.461474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.461474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.461474 (E_RNA) where: Base-Base interactions energy: -378.337 where: short stacking energy: -228.000 Base-Backbone interact. energy: 0.709 local terms energy: -429.833967 where: bonds (distance) C4'-P energy: -109.012 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -130.553 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -25.332 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2674.745427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.745427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.745427 (E_RNA) where: Base-Base interactions energy: -1882.143 where: short stacking energy: -754.968 Base-Backbone interact. energy: -3.771 local terms energy: -788.831364 where: bonds (distance) C4'-P energy: -135.979 bonds (distance) P-C4' energy: -155.975 flat angles C4'-P-C4' energy: -170.213 flat angles P-C4'-P energy: -122.061 tors. eta vs tors. theta energy: -204.603 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: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2533.315868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.315868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.315868 (E_RNA) where: Base-Base interactions energy: -1766.857 where: short stacking energy: -727.683 Base-Backbone interact. energy: -0.375 local terms energy: -766.083874 where: bonds (distance) C4'-P energy: -154.501 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -156.210 flat angles P-C4'-P energy: -110.402 tors. eta vs tors. theta energy: -202.620 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: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2482.896165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.896165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.896165 (E_RNA) where: Base-Base interactions energy: -1707.586 where: short stacking energy: -749.799 Base-Backbone interact. energy: -3.424 local terms energy: -771.886677 where: bonds (distance) C4'-P energy: -138.145 bonds (distance) P-C4' energy: -139.997 flat angles C4'-P-C4' energy: -165.442 flat angles P-C4'-P energy: -107.994 tors. eta vs tors. theta energy: -220.309 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: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2210.585619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.585619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.585619 (E_RNA) where: Base-Base interactions energy: -1474.638 where: short stacking energy: -691.368 Base-Backbone interact. energy: -3.808 local terms energy: -732.140214 where: bonds (distance) C4'-P energy: -130.723 bonds (distance) P-C4' energy: -124.721 flat angles C4'-P-C4' energy: -164.536 flat angles P-C4'-P energy: -105.005 tors. eta vs tors. theta energy: -207.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2027.312949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.312949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.312949 (E_RNA) where: Base-Base interactions energy: -1349.071 where: short stacking energy: -598.209 Base-Backbone interact. energy: -5.160 local terms energy: -673.081953 where: bonds (distance) C4'-P energy: -128.333 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -159.780 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -152.864 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1940.281154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.281154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.281154 (E_RNA) where: Base-Base interactions energy: -1309.564 where: short stacking energy: -549.163 Base-Backbone interact. energy: -1.270 local terms energy: -629.447636 where: bonds (distance) C4'-P energy: -131.893 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -143.916 flat angles P-C4'-P energy: -91.487 tors. eta vs tors. theta energy: -142.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1728.439288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.439288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.439288 (E_RNA) where: Base-Base interactions energy: -1134.160 where: short stacking energy: -490.951 Base-Backbone interact. energy: -3.297 local terms energy: -590.982137 where: bonds (distance) C4'-P energy: -109.821 bonds (distance) P-C4' energy: -131.284 flat angles C4'-P-C4' energy: -152.540 flat angles P-C4'-P energy: -77.246 tors. eta vs tors. theta energy: -120.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1490.115470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.115470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.115470 (E_RNA) where: Base-Base interactions energy: -937.584 where: short stacking energy: -435.289 Base-Backbone interact. energy: -2.058 local terms energy: -550.473331 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -134.461 flat angles C4'-P-C4' energy: -132.591 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -82.546 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: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1237.546636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.546636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.546636 (E_RNA) where: Base-Base interactions energy: -779.759 where: short stacking energy: -364.143 Base-Backbone interact. energy: 7.038 local terms energy: -464.825658 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -129.399 flat angles C4'-P-C4' energy: -103.655 flat angles P-C4'-P energy: -81.081 tors. eta vs tors. theta energy: -60.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -762.719109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.719109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.719109 (E_RNA) where: Base-Base interactions energy: -388.206 where: short stacking energy: -240.216 Base-Backbone interact. energy: 0.253 local terms energy: -374.766321 where: bonds (distance) C4'-P energy: -101.719 bonds (distance) P-C4' energy: -120.462 flat angles C4'-P-C4' energy: -97.975 flat angles P-C4'-P energy: -53.062 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2694.729572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.729572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.729572 (E_RNA) where: Base-Base interactions energy: -1906.728 where: short stacking energy: -770.992 Base-Backbone interact. energy: -3.799 local terms energy: -784.201874 where: bonds (distance) C4'-P energy: -142.259 bonds (distance) P-C4' energy: -152.210 flat angles C4'-P-C4' energy: -162.550 flat angles P-C4'-P energy: -117.395 tors. eta vs tors. theta energy: -209.788 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2518.968168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.968168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.968168 (E_RNA) where: Base-Base interactions energy: -1756.669 where: short stacking energy: -718.685 Base-Backbone interact. energy: -0.342 local terms energy: -761.957298 where: bonds (distance) C4'-P energy: -144.302 bonds (distance) P-C4' energy: -136.158 flat angles C4'-P-C4' energy: -169.959 flat angles P-C4'-P energy: -104.375 tors. eta vs tors. theta energy: -207.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2501.041785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.041785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.041785 (E_RNA) where: Base-Base interactions energy: -1727.297 where: short stacking energy: -756.083 Base-Backbone interact. energy: -1.949 local terms energy: -771.795835 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -169.360 flat angles P-C4'-P energy: -100.875 tors. eta vs tors. theta energy: -220.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2251.674000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.674000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.674000 (E_RNA) where: Base-Base interactions energy: -1530.992 where: short stacking energy: -680.428 Base-Backbone interact. energy: 2.631 local terms energy: -723.313680 where: bonds (distance) C4'-P energy: -141.165 bonds (distance) P-C4' energy: -134.774 flat angles C4'-P-C4' energy: -164.560 flat angles P-C4'-P energy: -85.922 tors. eta vs tors. theta energy: -196.892 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: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2014.205151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.205151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.205151 (E_RNA) where: Base-Base interactions energy: -1336.879 where: short stacking energy: -604.096 Base-Backbone interact. energy: -3.280 local terms energy: -674.046666 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -132.829 flat angles C4'-P-C4' energy: -147.471 flat angles P-C4'-P energy: -96.759 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: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1911.777784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.777784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.777784 (E_RNA) where: Base-Base interactions energy: -1314.850 where: short stacking energy: -551.882 Base-Backbone interact. energy: 2.706 local terms energy: -599.633379 where: bonds (distance) C4'-P energy: -128.931 bonds (distance) P-C4' energy: -106.683 flat angles C4'-P-C4' energy: -139.324 flat angles P-C4'-P energy: -95.048 tors. eta vs tors. theta energy: -129.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1793.617577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.617577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.617577 (E_RNA) where: Base-Base interactions energy: -1210.505 where: short stacking energy: -525.867 Base-Backbone interact. energy: 0.327 local terms energy: -583.439568 where: bonds (distance) C4'-P energy: -121.808 bonds (distance) P-C4' energy: -132.626 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -124.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1470.031133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.031133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.031133 (E_RNA) where: Base-Base interactions energy: -934.928 where: short stacking energy: -410.539 Base-Backbone interact. energy: 0.606 local terms energy: -535.709693 where: bonds (distance) C4'-P energy: -105.010 bonds (distance) P-C4' energy: -121.712 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -82.911 tors. eta vs tors. theta energy: -87.323 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: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1291.313469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.313469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.313469 (E_RNA) where: Base-Base interactions energy: -792.130 where: short stacking energy: -360.140 Base-Backbone interact. energy: -0.066 local terms energy: -499.117931 where: bonds (distance) C4'-P energy: -122.714 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -119.521 flat angles P-C4'-P energy: -73.433 tors. eta vs tors. theta energy: -73.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -713.386775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.386775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.386775 (E_RNA) where: Base-Base interactions energy: -323.892 where: short stacking energy: -191.350 Base-Backbone interact. energy: 0.467 local terms energy: -389.961063 where: bonds (distance) C4'-P energy: -123.798 bonds (distance) P-C4' energy: -123.045 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: 17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2703.558412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.558412 (E_RNA) where: Base-Base interactions energy: -1918.009 where: short stacking energy: -754.782 Base-Backbone interact. energy: -6.503 local terms energy: -779.046371 where: bonds (distance) C4'-P energy: -152.865 bonds (distance) P-C4' energy: -137.957 flat angles C4'-P-C4' energy: -168.510 flat angles P-C4'-P energy: -110.391 tors. eta vs tors. theta energy: -209.323 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: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2509.119286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.119286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.119286 (E_RNA) where: Base-Base interactions energy: -1724.616 where: short stacking energy: -721.057 Base-Backbone interact. energy: -1.730 local terms energy: -782.772856 where: bonds (distance) C4'-P energy: -136.355 bonds (distance) P-C4' energy: -157.843 flat angles C4'-P-C4' energy: -167.313 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -212.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2477.910325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.910325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.910325 (E_RNA) where: Base-Base interactions energy: -1736.588 where: short stacking energy: -752.457 Base-Backbone interact. energy: -2.986 local terms energy: -738.336435 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -158.684 flat angles P-C4'-P energy: -99.986 tors. eta vs tors. theta energy: -217.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2281.951778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.951778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.951778 (E_RNA) where: Base-Base interactions energy: -1534.219 where: short stacking energy: -702.517 Base-Backbone interact. energy: -3.727 local terms energy: -744.005410 where: bonds (distance) C4'-P energy: -136.306 bonds (distance) P-C4' energy: -146.446 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -88.516 tors. eta vs tors. theta energy: -212.141 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: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2048.863954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.863954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.863954 (E_RNA) where: Base-Base interactions energy: -1399.345 where: short stacking energy: -620.876 Base-Backbone interact. energy: -2.920 local terms energy: -646.599640 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -139.566 flat angles P-C4'-P energy: -93.757 tors. eta vs tors. theta energy: -161.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1919.841617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.841617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.841617 (E_RNA) where: Base-Base interactions energy: -1300.040 where: short stacking energy: -539.823 Base-Backbone interact. energy: -3.202 local terms energy: -616.599778 where: bonds (distance) C4'-P energy: -130.773 bonds (distance) P-C4' energy: -127.285 flat angles C4'-P-C4' energy: -139.747 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -124.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1837.756762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.756762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.756762 (E_RNA) where: Base-Base interactions energy: -1247.782 where: short stacking energy: -548.266 Base-Backbone interact. energy: -3.917 local terms energy: -586.057617 where: bonds (distance) C4'-P energy: -134.526 bonds (distance) P-C4' energy: -111.735 flat angles C4'-P-C4' energy: -140.180 flat angles P-C4'-P energy: -72.934 tors. eta vs tors. theta energy: -126.683 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: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1463.868545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.868545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.868545 (E_RNA) where: Base-Base interactions energy: -925.628 where: short stacking energy: -416.242 Base-Backbone interact. energy: 2.433 local terms energy: -540.673060 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -125.630 flat angles C4'-P-C4' energy: -129.388 flat angles P-C4'-P energy: -94.571 tors. eta vs tors. theta energy: -66.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1322.578005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.578005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.578005 (E_RNA) where: Base-Base interactions energy: -807.292 where: short stacking energy: -374.100 Base-Backbone interact. energy: -2.112 local terms energy: -513.174253 where: bonds (distance) C4'-P energy: -120.588 bonds (distance) P-C4' energy: -123.226 flat angles C4'-P-C4' energy: -125.004 flat angles P-C4'-P energy: -87.860 tors. eta vs tors. theta energy: -56.497 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: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -745.383720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.383720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.383720 (E_RNA) where: Base-Base interactions energy: -385.642 where: short stacking energy: -220.112 Base-Backbone interact. energy: 1.373 local terms energy: -361.114493 where: bonds (distance) C4'-P energy: -109.550 bonds (distance) P-C4' energy: -113.031 flat angles C4'-P-C4' energy: -82.368 flat angles P-C4'-P energy: -69.941 tors. eta vs tors. theta energy: 13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2689.553153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.553153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.553153 (E_RNA) where: Base-Base interactions energy: -1881.446 where: short stacking energy: -755.866 Base-Backbone interact. energy: -4.055 local terms energy: -804.051321 where: bonds (distance) C4'-P energy: -155.742 bonds (distance) P-C4' energy: -144.560 flat angles C4'-P-C4' energy: -172.168 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -212.493 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: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2553.135597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.135597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.135597 (E_RNA) where: Base-Base interactions energy: -1778.505 where: short stacking energy: -769.996 Base-Backbone interact. energy: -5.326 local terms energy: -769.305213 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -153.701 flat angles C4'-P-C4' energy: -165.748 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -209.577 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: 250 Temperature: 1.000000 Total energy: -2475.434776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.434776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.434776 (E_RNA) where: Base-Base interactions energy: -1701.082 where: short stacking energy: -737.451 Base-Backbone interact. energy: -0.679 local terms energy: -773.674117 where: bonds (distance) C4'-P energy: -132.495 bonds (distance) P-C4' energy: -146.257 flat angles C4'-P-C4' energy: -169.946 flat angles P-C4'-P energy: -112.736 tors. eta vs tors. theta energy: -212.240 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: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2248.898590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.898590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.898590 (E_RNA) where: Base-Base interactions energy: -1512.273 where: short stacking energy: -651.441 Base-Backbone interact. energy: -1.888 local terms energy: -734.737446 where: bonds (distance) C4'-P energy: -126.868 bonds (distance) P-C4' energy: -154.746 flat angles C4'-P-C4' energy: -148.786 flat angles P-C4'-P energy: -107.518 tors. eta vs tors. theta energy: -196.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2025.650456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.650456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.650456 (E_RNA) where: Base-Base interactions energy: -1363.455 where: short stacking energy: -596.871 Base-Backbone interact. energy: -3.636 local terms energy: -658.559817 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -110.802 flat angles C4'-P-C4' energy: -152.775 flat angles P-C4'-P energy: -108.699 tors. eta vs tors. theta energy: -150.655 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: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1871.918775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.918775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.918775 (E_RNA) where: Base-Base interactions energy: -1252.717 where: short stacking energy: -509.118 Base-Backbone interact. energy: 0.710 local terms energy: -619.911881 where: bonds (distance) C4'-P energy: -139.411 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -141.041 flat angles P-C4'-P energy: -93.122 tors. eta vs tors. theta energy: -113.028 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: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1811.135259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.135259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.135259 (E_RNA) where: Base-Base interactions energy: -1230.501 where: short stacking energy: -532.119 Base-Backbone interact. energy: -0.027 local terms energy: -580.608215 where: bonds (distance) C4'-P energy: -116.955 bonds (distance) P-C4' energy: -108.627 flat angles C4'-P-C4' energy: -134.779 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -128.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1389.145236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.145236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.145236 (E_RNA) where: Base-Base interactions energy: -910.492 where: short stacking energy: -406.257 Base-Backbone interact. energy: -2.295 local terms energy: -476.357949 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -113.781 flat angles C4'-P-C4' energy: -123.166 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -79.841 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: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1233.096789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.096789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.096789 (E_RNA) where: Base-Base interactions energy: -733.648 where: short stacking energy: -339.796 Base-Backbone interact. energy: 0.033 local terms energy: -499.481988 where: bonds (distance) C4'-P energy: -119.403 bonds (distance) P-C4' energy: -121.095 flat angles C4'-P-C4' energy: -122.810 flat angles P-C4'-P energy: -70.724 tors. eta vs tors. theta energy: -65.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -747.741381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.741381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.741381 (E_RNA) where: Base-Base interactions energy: -367.976 where: short stacking energy: -203.900 Base-Backbone interact. energy: 0.485 local terms energy: -380.250707 where: bonds (distance) C4'-P energy: -133.448 bonds (distance) P-C4' energy: -115.221 flat angles C4'-P-C4' energy: -93.400 flat angles P-C4'-P energy: -48.266 tors. eta vs tors. theta energy: 10.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2686.370103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.370103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.370103 (E_RNA) where: Base-Base interactions energy: -1892.698 where: short stacking energy: -776.072 Base-Backbone interact. energy: -6.067 local terms energy: -787.604685 where: bonds (distance) C4'-P energy: -149.760 bonds (distance) P-C4' energy: -155.283 flat angles C4'-P-C4' energy: -163.751 flat angles P-C4'-P energy: -113.207 tors. eta vs tors. theta energy: -205.604 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: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2575.463981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.463981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.463981 (E_RNA) where: Base-Base interactions energy: -1807.811 where: short stacking energy: -746.732 Base-Backbone interact. energy: -4.124 local terms energy: -763.529694 where: bonds (distance) C4'-P energy: -141.317 bonds (distance) P-C4' energy: -140.911 flat angles C4'-P-C4' energy: -163.028 flat angles P-C4'-P energy: -113.204 tors. eta vs tors. theta energy: -205.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2473.393194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.393194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.393194 (E_RNA) where: Base-Base interactions energy: -1706.999 where: short stacking energy: -731.672 Base-Backbone interact. energy: -0.955 local terms energy: -765.439201 where: bonds (distance) C4'-P energy: -128.446 bonds (distance) P-C4' energy: -138.608 flat angles C4'-P-C4' energy: -166.226 flat angles P-C4'-P energy: -113.273 tors. eta vs tors. theta energy: -218.886 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: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2322.208050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.208050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.208050 (E_RNA) where: Base-Base interactions energy: -1585.754 where: short stacking energy: -706.133 Base-Backbone interact. energy: -3.655 local terms energy: -732.799216 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -129.496 flat angles C4'-P-C4' energy: -157.095 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -202.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2034.013299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.013299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.013299 (E_RNA) where: Base-Base interactions energy: -1363.748 where: short stacking energy: -591.304 Base-Backbone interact. energy: -1.975 local terms energy: -668.290110 where: bonds (distance) C4'-P energy: -130.945 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -148.127 flat angles P-C4'-P energy: -100.066 tors. eta vs tors. theta energy: -156.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1917.343507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.343507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.343507 (E_RNA) where: Base-Base interactions energy: -1306.519 where: short stacking energy: -555.593 Base-Backbone interact. energy: 1.987 local terms energy: -612.811205 where: bonds (distance) C4'-P energy: -129.582 bonds (distance) P-C4' energy: -124.683 flat angles C4'-P-C4' energy: -145.385 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: -134.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1849.809792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.809792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.809792 (E_RNA) where: Base-Base interactions energy: -1235.183 where: short stacking energy: -541.963 Base-Backbone interact. energy: 2.062 local terms energy: -616.689274 where: bonds (distance) C4'-P energy: -142.111 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -117.125 flat angles P-C4'-P energy: -88.331 tors. eta vs tors. theta energy: -139.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1448.202250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.202250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.202250 (E_RNA) where: Base-Base interactions energy: -913.179 where: short stacking energy: -401.028 Base-Backbone interact. energy: -1.020 local terms energy: -534.003685 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -127.364 flat angles C4'-P-C4' energy: -135.033 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -67.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1296.391722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.391722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.391722 (E_RNA) where: Base-Base interactions energy: -771.538 where: short stacking energy: -388.065 Base-Backbone interact. energy: 1.970 local terms energy: -526.823191 where: bonds (distance) C4'-P energy: -125.561 bonds (distance) P-C4' energy: -109.582 flat angles C4'-P-C4' energy: -130.941 flat angles P-C4'-P energy: -89.388 tors. eta vs tors. theta energy: -71.351 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: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -775.986936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.986936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.986936 (E_RNA) where: Base-Base interactions energy: -342.181 where: short stacking energy: -208.889 Base-Backbone interact. energy: -1.891 local terms energy: -431.914602 where: bonds (distance) C4'-P energy: -119.243 bonds (distance) P-C4' energy: -130.237 flat angles C4'-P-C4' energy: -125.799 flat angles P-C4'-P energy: -66.459 tors. eta vs tors. theta energy: 9.824 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: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2607.691447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.691447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.691447 (E_RNA) where: Base-Base interactions energy: -1850.154 where: short stacking energy: -751.202 Base-Backbone interact. energy: -1.285 local terms energy: -756.253039 where: bonds (distance) C4'-P energy: -141.607 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -164.268 flat angles P-C4'-P energy: -110.572 tors. eta vs tors. theta energy: -202.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2614.942350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.942350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.942350 (E_RNA) where: Base-Base interactions energy: -1846.696 where: short stacking energy: -721.932 Base-Backbone interact. energy: -2.147 local terms energy: -766.099281 where: bonds (distance) C4'-P energy: -142.461 bonds (distance) P-C4' energy: -148.215 flat angles C4'-P-C4' energy: -168.076 flat angles P-C4'-P energy: -103.656 tors. eta vs tors. theta energy: -203.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2464.986976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.986976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.986976 (E_RNA) where: Base-Base interactions energy: -1684.515 where: short stacking energy: -736.441 Base-Backbone interact. energy: -2.327 local terms energy: -778.144930 where: bonds (distance) C4'-P energy: -146.521 bonds (distance) P-C4' energy: -130.062 flat angles C4'-P-C4' energy: -159.201 flat angles P-C4'-P energy: -121.740 tors. eta vs tors. theta energy: -220.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2296.604144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.604144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.604144 (E_RNA) where: Base-Base interactions energy: -1559.409 where: short stacking energy: -687.694 Base-Backbone interact. energy: -0.910 local terms energy: -736.285040 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -150.447 flat angles P-C4'-P energy: -84.138 tors. eta vs tors. theta energy: -216.633 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: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1998.220415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.220415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.220415 (E_RNA) where: Base-Base interactions energy: -1341.017 where: short stacking energy: -566.882 Base-Backbone interact. energy: -3.096 local terms energy: -654.107294 where: bonds (distance) C4'-P energy: -123.168 bonds (distance) P-C4' energy: -141.869 flat angles C4'-P-C4' energy: -152.283 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -146.370 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: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1929.386717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.386717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.386717 (E_RNA) where: Base-Base interactions energy: -1318.680 where: short stacking energy: -565.090 Base-Backbone interact. energy: 3.014 local terms energy: -613.720427 where: bonds (distance) C4'-P energy: -136.984 bonds (distance) P-C4' energy: -123.686 flat angles C4'-P-C4' energy: -132.851 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -129.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1859.850967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.850967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.850967 (E_RNA) where: Base-Base interactions energy: -1241.182 where: short stacking energy: -545.753 Base-Backbone interact. energy: -2.194 local terms energy: -616.475328 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -128.895 flat angles C4'-P-C4' energy: -134.900 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -127.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1439.832976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.832976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.832976 (E_RNA) where: Base-Base interactions energy: -897.659 where: short stacking energy: -398.280 Base-Backbone interact. energy: -2.345 local terms energy: -539.828579 where: bonds (distance) C4'-P energy: -127.407 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -121.712 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: -84.353 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1259.060999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.060999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.060999 (E_RNA) where: Base-Base interactions energy: -741.379 where: short stacking energy: -375.240 Base-Backbone interact. energy: -1.734 local terms energy: -515.948384 where: bonds (distance) C4'-P energy: -111.043 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -125.072 flat angles P-C4'-P energy: -86.748 tors. eta vs tors. theta energy: -80.409 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: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -749.748793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.748793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.748793 (E_RNA) where: Base-Base interactions energy: -345.808 where: short stacking energy: -201.208 Base-Backbone interact. energy: 5.630 local terms energy: -409.570628 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -108.908 flat angles P-C4'-P energy: -63.614 tors. eta vs tors. theta energy: 7.716 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: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2627.768490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.768490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.768490 (E_RNA) where: Base-Base interactions energy: -1842.731 where: short stacking energy: -747.416 Base-Backbone interact. energy: -1.657 local terms energy: -783.380054 where: bonds (distance) C4'-P energy: -151.700 bonds (distance) P-C4' energy: -132.486 flat angles C4'-P-C4' energy: -174.216 flat angles P-C4'-P energy: -103.268 tors. eta vs tors. theta energy: -221.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2628.437044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.437044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.437044 (E_RNA) where: Base-Base interactions energy: -1851.094 where: short stacking energy: -736.562 Base-Backbone interact. energy: -3.095 local terms energy: -774.248178 where: bonds (distance) C4'-P energy: -150.187 bonds (distance) P-C4' energy: -145.576 flat angles C4'-P-C4' energy: -163.744 flat angles P-C4'-P energy: -116.384 tors. eta vs tors. theta energy: -198.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2494.189941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.189941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.189941 (E_RNA) where: Base-Base interactions energy: -1735.474 where: short stacking energy: -745.082 Base-Backbone interact. energy: -4.026 local terms energy: -754.690550 where: bonds (distance) C4'-P energy: -115.789 bonds (distance) P-C4' energy: -135.717 flat angles C4'-P-C4' energy: -167.999 flat angles P-C4'-P energy: -115.462 tors. eta vs tors. theta energy: -219.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2264.269717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.269717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.269717 (E_RNA) where: Base-Base interactions energy: -1561.519 where: short stacking energy: -679.241 Base-Backbone interact. energy: -3.359 local terms energy: -699.391484 where: bonds (distance) C4'-P energy: -133.416 bonds (distance) P-C4' energy: -126.524 flat angles C4'-P-C4' energy: -147.858 flat angles P-C4'-P energy: -100.815 tors. eta vs tors. theta energy: -190.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2049.964574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.964574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.964574 (E_RNA) where: Base-Base interactions energy: -1392.413 where: short stacking energy: -592.004 Base-Backbone interact. energy: -1.949 local terms energy: -655.603391 where: bonds (distance) C4'-P energy: -122.190 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -149.493 flat angles P-C4'-P energy: -88.027 tors. eta vs tors. theta energy: -160.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1892.381096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.381096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.381096 (E_RNA) where: Base-Base interactions energy: -1281.756 where: short stacking energy: -562.487 Base-Backbone interact. energy: 4.651 local terms energy: -615.276612 where: bonds (distance) C4'-P energy: -138.353 bonds (distance) P-C4' energy: -123.628 flat angles C4'-P-C4' energy: -152.702 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -118.585 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: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1852.642233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.642233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.642233 (E_RNA) where: Base-Base interactions energy: -1221.216 where: short stacking energy: -537.621 Base-Backbone interact. energy: -4.841 local terms energy: -626.585242 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -138.672 flat angles C4'-P-C4' energy: -150.488 flat angles P-C4'-P energy: -91.631 tors. eta vs tors. theta energy: -135.668 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: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1428.320363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.320363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.320363 (E_RNA) where: Base-Base interactions energy: -906.566 where: short stacking energy: -413.168 Base-Backbone interact. energy: -1.906 local terms energy: -519.848278 where: bonds (distance) C4'-P energy: -124.602 bonds (distance) P-C4' energy: -112.028 flat angles C4'-P-C4' energy: -136.745 flat angles P-C4'-P energy: -65.601 tors. eta vs tors. theta energy: -80.872 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1214.310842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.310842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.310842 (E_RNA) where: Base-Base interactions energy: -726.896 where: short stacking energy: -342.151 Base-Backbone interact. energy: -4.077 local terms energy: -483.337715 where: bonds (distance) C4'-P energy: -118.900 bonds (distance) P-C4' energy: -128.534 flat angles C4'-P-C4' energy: -132.715 flat angles P-C4'-P energy: -56.491 tors. eta vs tors. theta energy: -46.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -709.270187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.270187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.270187 (E_RNA) where: Base-Base interactions energy: -313.508 where: short stacking energy: -186.567 Base-Backbone interact. energy: 1.340 local terms energy: -397.102438 where: bonds (distance) C4'-P energy: -114.089 bonds (distance) P-C4' energy: -122.285 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: 19.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2685.912806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.912806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.912806 (E_RNA) where: Base-Base interactions energy: -1893.473 where: short stacking energy: -751.659 Base-Backbone interact. energy: -3.869 local terms energy: -788.570750 where: bonds (distance) C4'-P energy: -142.837 bonds (distance) P-C4' energy: -159.990 flat angles C4'-P-C4' energy: -165.503 flat angles P-C4'-P energy: -118.652 tors. eta vs tors. theta energy: -201.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2612.710783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.710783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.710783 (E_RNA) where: Base-Base interactions energy: -1836.478 where: short stacking energy: -745.021 Base-Backbone interact. energy: -4.966 local terms energy: -771.266173 where: bonds (distance) C4'-P energy: -129.747 bonds (distance) P-C4' energy: -158.701 flat angles C4'-P-C4' energy: -173.091 flat angles P-C4'-P energy: -97.132 tors. eta vs tors. theta energy: -212.595 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: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2442.246485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.246485 (E_RNA) where: Base-Base interactions energy: -1715.902 where: short stacking energy: -748.396 Base-Backbone interact. energy: -2.365 local terms energy: -723.979431 where: bonds (distance) C4'-P energy: -128.433 bonds (distance) P-C4' energy: -123.864 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -102.446 tors. eta vs tors. theta energy: -214.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2276.743982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.743982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.743982 (E_RNA) where: Base-Base interactions energy: -1535.005 where: short stacking energy: -663.876 Base-Backbone interact. energy: -5.256 local terms energy: -736.483364 where: bonds (distance) C4'-P energy: -137.621 bonds (distance) P-C4' energy: -135.553 flat angles C4'-P-C4' energy: -161.573 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -205.503 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: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2051.495444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.495444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.495444 (E_RNA) where: Base-Base interactions energy: -1410.902 where: short stacking energy: -628.321 Base-Backbone interact. energy: 0.255 local terms energy: -640.848476 where: bonds (distance) C4'-P energy: -114.082 bonds (distance) P-C4' energy: -131.101 flat angles C4'-P-C4' energy: -133.640 flat angles P-C4'-P energy: -95.144 tors. eta vs tors. theta energy: -166.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1859.563040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.563040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.563040 (E_RNA) where: Base-Base interactions energy: -1242.013 where: short stacking energy: -517.161 Base-Backbone interact. energy: -1.858 local terms energy: -615.691983 where: bonds (distance) C4'-P energy: -126.294 bonds (distance) P-C4' energy: -141.037 flat angles C4'-P-C4' energy: -142.527 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -120.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1896.689490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.689490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.689490 (E_RNA) where: Base-Base interactions energy: -1277.112 where: short stacking energy: -550.615 Base-Backbone interact. energy: 1.188 local terms energy: -620.765266 where: bonds (distance) C4'-P energy: -112.880 bonds (distance) P-C4' energy: -137.647 flat angles C4'-P-C4' energy: -131.096 flat angles P-C4'-P energy: -100.017 tors. eta vs tors. theta energy: -139.126 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: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1433.684199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.684199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.684199 (E_RNA) where: Base-Base interactions energy: -895.658 where: short stacking energy: -404.417 Base-Backbone interact. energy: -2.640 local terms energy: -535.386354 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -130.566 flat angles C4'-P-C4' energy: -127.491 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: -83.254 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: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1147.124392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.124392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.124392 (E_RNA) where: Base-Base interactions energy: -678.450 where: short stacking energy: -323.468 Base-Backbone interact. energy: 0.262 local terms energy: -468.936398 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -113.624 flat angles P-C4'-P energy: -80.655 tors. eta vs tors. theta energy: -35.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -669.445910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.445910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.445910 (E_RNA) where: Base-Base interactions energy: -290.114 where: short stacking energy: -192.855 Base-Backbone interact. energy: 3.025 local terms energy: -382.356568 where: bonds (distance) C4'-P energy: -116.616 bonds (distance) P-C4' energy: -114.610 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -69.576 tors. eta vs tors. theta energy: 14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2649.446103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.446103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.446103 (E_RNA) where: Base-Base interactions energy: -1893.501 where: short stacking energy: -762.480 Base-Backbone interact. energy: -3.803 local terms energy: -752.142319 where: bonds (distance) C4'-P energy: -139.145 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -208.742 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2586.600425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.600425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.600425 (E_RNA) where: Base-Base interactions energy: -1847.526 where: short stacking energy: -726.529 Base-Backbone interact. energy: -3.630 local terms energy: -735.444408 where: bonds (distance) C4'-P energy: -135.913 bonds (distance) P-C4' energy: -130.253 flat angles C4'-P-C4' energy: -167.159 flat angles P-C4'-P energy: -95.489 tors. eta vs tors. theta energy: -206.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2480.340773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.340773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.340773 (E_RNA) where: Base-Base interactions energy: -1677.956 where: short stacking energy: -731.373 Base-Backbone interact. energy: -3.579 local terms energy: -798.805602 where: bonds (distance) C4'-P energy: -157.955 bonds (distance) P-C4' energy: -147.478 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -118.062 tors. eta vs tors. theta energy: -218.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2248.345110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.345110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.345110 (E_RNA) where: Base-Base interactions energy: -1529.631 where: short stacking energy: -670.491 Base-Backbone interact. energy: 0.696 local terms energy: -719.410516 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -141.328 flat angles C4'-P-C4' energy: -152.813 flat angles P-C4'-P energy: -86.451 tors. eta vs tors. theta energy: -199.420 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: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2076.246432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.246432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.246432 (E_RNA) where: Base-Base interactions energy: -1433.681 where: short stacking energy: -642.537 Base-Backbone interact. energy: -1.378 local terms energy: -641.187093 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -113.140 flat angles C4'-P-C4' energy: -160.539 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -174.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1889.796613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.796613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.796613 (E_RNA) where: Base-Base interactions energy: -1273.559 where: short stacking energy: -541.931 Base-Backbone interact. energy: -2.307 local terms energy: -613.930428 where: bonds (distance) C4'-P energy: -125.816 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -80.026 tors. eta vs tors. theta energy: -130.337 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: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1803.184288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.184288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.184288 (E_RNA) where: Base-Base interactions energy: -1208.330 where: short stacking energy: -526.640 Base-Backbone interact. energy: 5.282 local terms energy: -600.136162 where: bonds (distance) C4'-P energy: -116.911 bonds (distance) P-C4' energy: -111.609 flat angles C4'-P-C4' energy: -144.249 flat angles P-C4'-P energy: -99.178 tors. eta vs tors. theta energy: -128.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1462.766788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.766788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.766788 (E_RNA) where: Base-Base interactions energy: -949.831 where: short stacking energy: -423.380 Base-Backbone interact. energy: -2.294 local terms energy: -510.641898 where: bonds (distance) C4'-P energy: -112.682 bonds (distance) P-C4' energy: -126.301 flat angles C4'-P-C4' energy: -115.265 flat angles P-C4'-P energy: -66.760 tors. eta vs tors. theta energy: -89.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1234.957158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.957158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.957158 (E_RNA) where: Base-Base interactions energy: -750.320 where: short stacking energy: -357.828 Base-Backbone interact. energy: 3.299 local terms energy: -487.935702 where: bonds (distance) C4'-P energy: -126.647 bonds (distance) P-C4' energy: -123.249 flat angles C4'-P-C4' energy: -113.650 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -66.556 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: 255 Temperature: 1.350000 Total energy: -639.253834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.253834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.253834 (E_RNA) where: Base-Base interactions energy: -238.987 where: short stacking energy: -180.787 Base-Backbone interact. energy: -1.225 local terms energy: -399.041531 where: bonds (distance) C4'-P energy: -127.169 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -92.888 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: 30.824 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: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2662.668983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.668983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.668983 (E_RNA) where: Base-Base interactions energy: -1883.862 where: short stacking energy: -777.175 Base-Backbone interact. energy: -2.313 local terms energy: -776.494227 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -145.854 flat angles C4'-P-C4' energy: -176.483 flat angles P-C4'-P energy: -109.479 tors. eta vs tors. theta energy: -199.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2570.722643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.722643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.722643 (E_RNA) where: Base-Base interactions energy: -1805.256 where: short stacking energy: -722.880 Base-Backbone interact. energy: -1.116 local terms energy: -764.350367 where: bonds (distance) C4'-P energy: -138.174 bonds (distance) P-C4' energy: -147.896 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -119.296 tors. eta vs tors. theta energy: -202.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2504.726057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.726057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.726057 (E_RNA) where: Base-Base interactions energy: -1748.404 where: short stacking energy: -709.994 Base-Backbone interact. energy: -0.025 local terms energy: -756.296755 where: bonds (distance) C4'-P energy: -147.690 bonds (distance) P-C4' energy: -122.125 flat angles C4'-P-C4' energy: -172.401 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -213.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2256.080392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.080392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.080392 (E_RNA) where: Base-Base interactions energy: -1535.689 where: short stacking energy: -689.465 Base-Backbone interact. energy: -2.155 local terms energy: -718.236046 where: bonds (distance) C4'-P energy: -136.076 bonds (distance) P-C4' energy: -133.861 flat angles C4'-P-C4' energy: -151.960 flat angles P-C4'-P energy: -90.281 tors. eta vs tors. theta energy: -206.058 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: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2070.856277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.856277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.856277 (E_RNA) where: Base-Base interactions energy: -1404.568 where: short stacking energy: -598.543 Base-Backbone interact. energy: -0.822 local terms energy: -665.466308 where: bonds (distance) C4'-P energy: -138.174 bonds (distance) P-C4' energy: -143.030 flat angles C4'-P-C4' energy: -140.269 flat angles P-C4'-P energy: -76.931 tors. eta vs tors. theta energy: -167.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1979.323632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.323632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.323632 (E_RNA) where: Base-Base interactions energy: -1337.746 where: short stacking energy: -589.224 Base-Backbone interact. energy: -4.368 local terms energy: -637.209390 where: bonds (distance) C4'-P energy: -105.165 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -137.692 flat angles P-C4'-P energy: -107.689 tors. eta vs tors. theta energy: -160.380 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: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1801.839104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.839104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.839104 (E_RNA) where: Base-Base interactions energy: -1226.933 where: short stacking energy: -527.815 Base-Backbone interact. energy: -2.279 local terms energy: -572.627187 where: bonds (distance) C4'-P energy: -98.291 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -148.376 flat angles P-C4'-P energy: -82.388 tors. eta vs tors. theta energy: -126.222 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1444.030442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.030442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.030442 (E_RNA) where: Base-Base interactions energy: -920.323 where: short stacking energy: -399.111 Base-Backbone interact. energy: 5.179 local terms energy: -528.887183 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -137.116 flat angles P-C4'-P energy: -75.266 tors. eta vs tors. theta energy: -90.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1236.052389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.052389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.052389 (E_RNA) where: Base-Base interactions energy: -732.930 where: short stacking energy: -350.291 Base-Backbone interact. energy: -2.679 local terms energy: -500.443454 where: bonds (distance) C4'-P energy: -130.121 bonds (distance) P-C4' energy: -127.643 flat angles C4'-P-C4' energy: -112.966 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -56.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -674.767597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.767597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.767597 (E_RNA) where: Base-Base interactions energy: -279.900 where: short stacking energy: -178.109 Base-Backbone interact. energy: 0.148 local terms energy: -395.015161 where: bonds (distance) C4'-P energy: -117.159 bonds (distance) P-C4' energy: -130.451 flat angles C4'-P-C4' energy: -114.801 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: 34.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2669.249570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.249570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.249570 (E_RNA) where: Base-Base interactions energy: -1876.113 where: short stacking energy: -759.748 Base-Backbone interact. energy: -4.396 local terms energy: -788.740622 where: bonds (distance) C4'-P energy: -150.569 bonds (distance) P-C4' energy: -154.879 flat angles C4'-P-C4' energy: -168.224 flat angles P-C4'-P energy: -117.598 tors. eta vs tors. theta energy: -197.471 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2560.394651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.394651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.394651 (E_RNA) where: Base-Base interactions energy: -1799.406 where: short stacking energy: -734.225 Base-Backbone interact. energy: -0.846 local terms energy: -760.142045 where: bonds (distance) C4'-P energy: -136.482 bonds (distance) P-C4' energy: -144.042 flat angles C4'-P-C4' energy: -170.665 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -212.487 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: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2449.301823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.301823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.301823 (E_RNA) where: Base-Base interactions energy: -1702.192 where: short stacking energy: -717.138 Base-Backbone interact. energy: -3.525 local terms energy: -743.584504 where: bonds (distance) C4'-P energy: -128.257 bonds (distance) P-C4' energy: -144.735 flat angles C4'-P-C4' energy: -155.475 flat angles P-C4'-P energy: -109.566 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2211.042795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.042795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.042795 (E_RNA) where: Base-Base interactions energy: -1500.636 where: short stacking energy: -699.962 Base-Backbone interact. energy: -1.389 local terms energy: -709.017993 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -141.991 flat angles C4'-P-C4' energy: -158.703 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -194.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2085.437509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.437509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.437509 (E_RNA) where: Base-Base interactions energy: -1382.333 where: short stacking energy: -590.934 Base-Backbone interact. energy: -1.400 local terms energy: -701.704231 where: bonds (distance) C4'-P energy: -143.043 bonds (distance) P-C4' energy: -141.819 flat angles C4'-P-C4' energy: -147.737 flat angles P-C4'-P energy: -94.430 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: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1955.744863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.744863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.744863 (E_RNA) where: Base-Base interactions energy: -1290.439 where: short stacking energy: -567.316 Base-Backbone interact. energy: -3.797 local terms energy: -661.508398 where: bonds (distance) C4'-P energy: -131.458 bonds (distance) P-C4' energy: -127.303 flat angles C4'-P-C4' energy: -158.785 flat angles P-C4'-P energy: -100.671 tors. eta vs tors. theta energy: -143.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1845.433696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.433696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.433696 (E_RNA) where: Base-Base interactions energy: -1226.768 where: short stacking energy: -512.729 Base-Backbone interact. energy: -2.844 local terms energy: -615.821765 where: bonds (distance) C4'-P energy: -115.308 bonds (distance) P-C4' energy: -136.997 flat angles C4'-P-C4' energy: -156.886 flat angles P-C4'-P energy: -79.982 tors. eta vs tors. theta energy: -126.649 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: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1410.900638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.900638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.900638 (E_RNA) where: Base-Base interactions energy: -878.625 where: short stacking energy: -436.315 Base-Backbone interact. energy: -0.776 local terms energy: -531.498804 where: bonds (distance) C4'-P energy: -111.601 bonds (distance) P-C4' energy: -110.979 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -87.321 tors. eta vs tors. theta energy: -95.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1218.629886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.629886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.629886 (E_RNA) where: Base-Base interactions energy: -750.235 where: short stacking energy: -358.843 Base-Backbone interact. energy: -1.301 local terms energy: -467.094075 where: bonds (distance) C4'-P energy: -115.649 bonds (distance) P-C4' energy: -116.941 flat angles C4'-P-C4' energy: -105.927 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -71.695 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: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -659.853559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.853559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.853559 (E_RNA) where: Base-Base interactions energy: -310.749 where: short stacking energy: -160.725 Base-Backbone interact. energy: -2.672 local terms energy: -346.432881 where: bonds (distance) C4'-P energy: -111.667 bonds (distance) P-C4' energy: -122.821 flat angles C4'-P-C4' energy: -104.431 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: 31.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2667.680536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.680536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.680536 (E_RNA) where: Base-Base interactions energy: -1898.213 where: short stacking energy: -775.487 Base-Backbone interact. energy: -2.342 local terms energy: -767.125591 where: bonds (distance) C4'-P energy: -146.478 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -107.243 tors. eta vs tors. theta energy: -204.669 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: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2568.350347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.350347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.350347 (E_RNA) where: Base-Base interactions energy: -1773.888 where: short stacking energy: -716.507 Base-Backbone interact. energy: -0.580 local terms energy: -793.881792 where: bonds (distance) C4'-P energy: -152.649 bonds (distance) P-C4' energy: -146.702 flat angles C4'-P-C4' energy: -173.466 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -223.492 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2494.483833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.483833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.483833 (E_RNA) where: Base-Base interactions energy: -1725.590 where: short stacking energy: -735.083 Base-Backbone interact. energy: -4.382 local terms energy: -764.511252 where: bonds (distance) C4'-P energy: -136.641 bonds (distance) P-C4' energy: -147.156 flat angles C4'-P-C4' energy: -157.837 flat angles P-C4'-P energy: -107.016 tors. eta vs tors. theta energy: -215.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2191.402811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.402811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.402811 (E_RNA) where: Base-Base interactions energy: -1461.613 where: short stacking energy: -656.699 Base-Backbone interact. energy: -4.347 local terms energy: -725.442261 where: bonds (distance) C4'-P energy: -132.611 bonds (distance) P-C4' energy: -135.129 flat angles C4'-P-C4' energy: -161.560 flat angles P-C4'-P energy: -102.622 tors. eta vs tors. theta energy: -193.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2041.890077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.890077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.890077 (E_RNA) where: Base-Base interactions energy: -1389.393 where: short stacking energy: -599.797 Base-Backbone interact. energy: 0.637 local terms energy: -653.134641 where: bonds (distance) C4'-P energy: -116.708 bonds (distance) P-C4' energy: -149.857 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -81.865 tors. eta vs tors. theta energy: -163.069 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: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1872.481454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.481454 (E_RNA) where: Base-Base interactions energy: -1230.352 where: short stacking energy: -540.557 Base-Backbone interact. energy: -1.920 local terms energy: -640.209658 where: bonds (distance) C4'-P energy: -135.358 bonds (distance) P-C4' energy: -141.646 flat angles C4'-P-C4' energy: -135.866 flat angles P-C4'-P energy: -90.712 tors. eta vs tors. theta energy: -136.627 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: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1782.219432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.219432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.219432 (E_RNA) where: Base-Base interactions energy: -1204.645 where: short stacking energy: -539.950 Base-Backbone interact. energy: -1.152 local terms energy: -576.421782 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -144.098 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -130.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1450.583676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.583676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.583676 (E_RNA) where: Base-Base interactions energy: -880.307 where: short stacking energy: -428.622 Base-Backbone interact. energy: 0.362 local terms energy: -570.638729 where: bonds (distance) C4'-P energy: -131.273 bonds (distance) P-C4' energy: -130.242 flat angles C4'-P-C4' energy: -124.295 flat angles P-C4'-P energy: -90.265 tors. eta vs tors. theta energy: -94.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1228.022812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.022812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.022812 (E_RNA) where: Base-Base interactions energy: -755.183 where: short stacking energy: -333.545 Base-Backbone interact. energy: 2.488 local terms energy: -475.327505 where: bonds (distance) C4'-P energy: -113.983 bonds (distance) P-C4' energy: -122.745 flat angles C4'-P-C4' energy: -129.474 flat angles P-C4'-P energy: -61.616 tors. eta vs tors. theta energy: -47.509 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: 258 Temperature: 1.350000 Total energy: -672.098038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.098038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.098038 (E_RNA) where: Base-Base interactions energy: -305.517 where: short stacking energy: -186.139 Base-Backbone interact. energy: 3.292 local terms energy: -369.872428 where: bonds (distance) C4'-P energy: -106.100 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -115.872 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: 20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2633.363361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.363361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.363361 (E_RNA) where: Base-Base interactions energy: -1872.145 where: short stacking energy: -755.596 Base-Backbone interact. energy: -4.099 local terms energy: -757.119429 where: bonds (distance) C4'-P energy: -132.084 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -170.230 flat angles P-C4'-P energy: -107.564 tors. eta vs tors. theta energy: -203.063 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: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2606.399167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.399167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.399167 (E_RNA) where: Base-Base interactions energy: -1848.730 where: short stacking energy: -737.507 Base-Backbone interact. energy: -3.592 local terms energy: -754.077088 where: bonds (distance) C4'-P energy: -137.686 bonds (distance) P-C4' energy: -138.777 flat angles C4'-P-C4' energy: -170.328 flat angles P-C4'-P energy: -102.479 tors. eta vs tors. theta energy: -204.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2463.723616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.723616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.723616 (E_RNA) where: Base-Base interactions energy: -1713.318 where: short stacking energy: -751.388 Base-Backbone interact. energy: 0.299 local terms energy: -750.705265 where: bonds (distance) C4'-P energy: -133.581 bonds (distance) P-C4' energy: -132.794 flat angles C4'-P-C4' energy: -164.083 flat angles P-C4'-P energy: -107.446 tors. eta vs tors. theta energy: -212.801 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: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2221.631204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.631204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.631204 (E_RNA) where: Base-Base interactions energy: -1484.276 where: short stacking energy: -645.036 Base-Backbone interact. energy: -1.342 local terms energy: -736.012854 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -140.937 flat angles C4'-P-C4' energy: -147.074 flat angles P-C4'-P energy: -106.677 tors. eta vs tors. theta energy: -196.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2078.213646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.213646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.213646 (E_RNA) where: Base-Base interactions energy: -1396.473 where: short stacking energy: -601.571 Base-Backbone interact. energy: -5.260 local terms energy: -676.480560 where: bonds (distance) C4'-P energy: -125.572 bonds (distance) P-C4' energy: -133.749 flat angles C4'-P-C4' energy: -152.249 flat angles P-C4'-P energy: -90.092 tors. eta vs tors. theta energy: -174.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1886.161640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.161640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.161640 (E_RNA) where: Base-Base interactions energy: -1287.485 where: short stacking energy: -559.662 Base-Backbone interact. energy: -0.642 local terms energy: -598.034190 where: bonds (distance) C4'-P energy: -110.919 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -143.640 flat angles P-C4'-P energy: -77.718 tors. eta vs tors. theta energy: -132.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1738.392057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.392057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.392057 (E_RNA) where: Base-Base interactions energy: -1136.546 where: short stacking energy: -487.679 Base-Backbone interact. energy: -1.219 local terms energy: -600.626136 where: bonds (distance) C4'-P energy: -126.241 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -132.259 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -117.734 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: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1412.352593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.352593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.352593 (E_RNA) where: Base-Base interactions energy: -872.447 where: short stacking energy: -438.271 Base-Backbone interact. energy: -2.177 local terms energy: -537.728511 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -122.703 flat angles C4'-P-C4' energy: -135.243 flat angles P-C4'-P energy: -80.240 tors. eta vs tors. theta energy: -87.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1209.229330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.229330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.229330 (E_RNA) where: Base-Base interactions energy: -713.732 where: short stacking energy: -368.869 Base-Backbone interact. energy: 0.218 local terms energy: -495.715565 where: bonds (distance) C4'-P energy: -130.698 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -131.572 flat angles P-C4'-P energy: -59.175 tors. eta vs tors. theta energy: -45.270 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: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -778.765205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.765205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.765205 (E_RNA) where: Base-Base interactions energy: -383.050 where: short stacking energy: -224.073 Base-Backbone interact. energy: -0.047 local terms energy: -395.667706 where: bonds (distance) C4'-P energy: -101.536 bonds (distance) P-C4' energy: -106.840 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2645.203900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.203900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.203900 (E_RNA) where: Base-Base interactions energy: -1845.859 where: short stacking energy: -737.076 Base-Backbone interact. energy: 1.665 local terms energy: -801.009717 where: bonds (distance) C4'-P energy: -149.224 bonds (distance) P-C4' energy: -153.699 flat angles C4'-P-C4' energy: -172.901 flat angles P-C4'-P energy: -114.764 tors. eta vs tors. theta energy: -210.422 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: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2619.596672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.596672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.596672 (E_RNA) where: Base-Base interactions energy: -1836.217 where: short stacking energy: -745.366 Base-Backbone interact. energy: -4.271 local terms energy: -779.108864 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -179.131 flat angles P-C4'-P energy: -108.167 tors. eta vs tors. theta energy: -212.545 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: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2529.761727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.761727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.761727 (E_RNA) where: Base-Base interactions energy: -1755.620 where: short stacking energy: -748.490 Base-Backbone interact. energy: -1.074 local terms energy: -773.067390 where: bonds (distance) C4'-P energy: -142.760 bonds (distance) P-C4' energy: -144.378 flat angles C4'-P-C4' energy: -163.843 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -211.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2231.570058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.570058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.570058 (E_RNA) where: Base-Base interactions energy: -1539.198 where: short stacking energy: -678.252 Base-Backbone interact. energy: -2.857 local terms energy: -689.515837 where: bonds (distance) C4'-P energy: -126.657 bonds (distance) P-C4' energy: -125.753 flat angles C4'-P-C4' energy: -142.021 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -188.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2129.570235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.570235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.570235 (E_RNA) where: Base-Base interactions energy: -1453.462 where: short stacking energy: -619.015 Base-Backbone interact. energy: -0.784 local terms energy: -675.323770 where: bonds (distance) C4'-P energy: -134.233 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -148.411 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -177.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1924.506312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.506312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.506312 (E_RNA) where: Base-Base interactions energy: -1280.571 where: short stacking energy: -561.921 Base-Backbone interact. energy: -1.614 local terms energy: -642.321347 where: bonds (distance) C4'-P energy: -136.299 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -130.564 flat angles P-C4'-P energy: -95.688 tors. eta vs tors. theta energy: -157.048 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: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1715.890655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.890655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.890655 (E_RNA) where: Base-Base interactions energy: -1120.750 where: short stacking energy: -492.392 Base-Backbone interact. energy: -1.838 local terms energy: -593.302516 where: bonds (distance) C4'-P energy: -131.990 bonds (distance) P-C4' energy: -138.841 flat angles C4'-P-C4' energy: -128.372 flat angles P-C4'-P energy: -74.147 tors. eta vs tors. theta energy: -119.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1429.634395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.634395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.634395 (E_RNA) where: Base-Base interactions energy: -897.297 where: short stacking energy: -398.614 Base-Backbone interact. energy: -1.130 local terms energy: -531.206934 where: bonds (distance) C4'-P energy: -125.178 bonds (distance) P-C4' energy: -121.320 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -83.914 tors. eta vs tors. theta energy: -77.879 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1243.520093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.520093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.520093 (E_RNA) where: Base-Base interactions energy: -781.061 where: short stacking energy: -370.848 Base-Backbone interact. energy: 5.860 local terms energy: -468.319953 where: bonds (distance) C4'-P energy: -116.727 bonds (distance) P-C4' energy: -124.104 flat angles C4'-P-C4' energy: -112.252 flat angles P-C4'-P energy: -67.266 tors. eta vs tors. theta energy: -47.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -754.925700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.925700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.925700 (E_RNA) where: Base-Base interactions energy: -363.244 where: short stacking energy: -230.036 Base-Backbone interact. energy: 5.674 local terms energy: -397.355582 where: bonds (distance) C4'-P energy: -99.209 bonds (distance) P-C4' energy: -117.489 flat angles C4'-P-C4' energy: -102.015 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2640.479030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.479030 (E_RNA) where: Base-Base interactions energy: -1845.191 where: short stacking energy: -752.468 Base-Backbone interact. energy: -2.853 local terms energy: -792.434995 where: bonds (distance) C4'-P energy: -165.007 bonds (distance) P-C4' energy: -146.346 flat angles C4'-P-C4' energy: -160.504 flat angles P-C4'-P energy: -106.570 tors. eta vs tors. theta energy: -214.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2613.010608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.010608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.010608 (E_RNA) where: Base-Base interactions energy: -1836.909 where: short stacking energy: -745.587 Base-Backbone interact. energy: -4.441 local terms energy: -771.660267 where: bonds (distance) C4'-P energy: -142.720 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -176.626 flat angles P-C4'-P energy: -97.159 tors. eta vs tors. theta energy: -208.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2504.097951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.097951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.097951 (E_RNA) where: Base-Base interactions energy: -1732.965 where: short stacking energy: -754.545 Base-Backbone interact. energy: -3.908 local terms energy: -767.225055 where: bonds (distance) C4'-P energy: -133.447 bonds (distance) P-C4' energy: -148.603 flat angles C4'-P-C4' energy: -167.350 flat angles P-C4'-P energy: -101.727 tors. eta vs tors. theta energy: -216.097 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: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2253.843163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.843163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.843163 (E_RNA) where: Base-Base interactions energy: -1510.589 where: short stacking energy: -658.868 Base-Backbone interact. energy: -3.727 local terms energy: -739.526912 where: bonds (distance) C4'-P energy: -135.015 bonds (distance) P-C4' energy: -151.164 flat angles C4'-P-C4' energy: -155.371 flat angles P-C4'-P energy: -101.268 tors. eta vs tors. theta energy: -196.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2135.279206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.279206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.279206 (E_RNA) where: Base-Base interactions energy: -1425.702 where: short stacking energy: -609.771 Base-Backbone interact. energy: -1.024 local terms energy: -708.553125 where: bonds (distance) C4'-P energy: -142.009 bonds (distance) P-C4' energy: -132.270 flat angles C4'-P-C4' energy: -158.587 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -167.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1924.368654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.368654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.368654 (E_RNA) where: Base-Base interactions energy: -1290.723 where: short stacking energy: -553.095 Base-Backbone interact. energy: -0.219 local terms energy: -633.427211 where: bonds (distance) C4'-P energy: -122.807 bonds (distance) P-C4' energy: -122.584 flat angles C4'-P-C4' energy: -135.474 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: -157.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1749.702241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.702241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.702241 (E_RNA) where: Base-Base interactions energy: -1143.766 where: short stacking energy: -536.218 Base-Backbone interact. energy: 3.749 local terms energy: -609.685132 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -135.291 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: -135.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1458.066269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.066269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.066269 (E_RNA) where: Base-Base interactions energy: -935.252 where: short stacking energy: -398.230 Base-Backbone interact. energy: -1.092 local terms energy: -521.722134 where: bonds (distance) C4'-P energy: -114.468 bonds (distance) P-C4' energy: -129.638 flat angles C4'-P-C4' energy: -120.796 flat angles P-C4'-P energy: -80.621 tors. eta vs tors. theta energy: -76.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1279.774694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.774694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.774694 (E_RNA) where: Base-Base interactions energy: -792.425 where: short stacking energy: -361.404 Base-Backbone interact. energy: -3.058 local terms energy: -484.292094 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -121.438 flat angles C4'-P-C4' energy: -127.310 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -62.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -802.990702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.990702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.990702 (E_RNA) where: Base-Base interactions energy: -400.954 where: short stacking energy: -223.828 Base-Backbone interact. energy: -1.426 local terms energy: -400.610960 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -121.992 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -60.946 tors. eta vs tors. theta energy: -0.132 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: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2646.143524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.143524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.143524 (E_RNA) where: Base-Base interactions energy: -1874.868 where: short stacking energy: -755.709 Base-Backbone interact. energy: -2.871 local terms energy: -768.404570 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -140.141 flat angles C4'-P-C4' energy: -171.456 flat angles P-C4'-P energy: -94.135 tors. eta vs tors. theta energy: -209.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2598.445099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.445099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.445099 (E_RNA) where: Base-Base interactions energy: -1846.093 where: short stacking energy: -761.949 Base-Backbone interact. energy: -4.195 local terms energy: -748.157876 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -145.363 flat angles C4'-P-C4' energy: -165.581 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: -199.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2465.407094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.407094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.407094 (E_RNA) where: Base-Base interactions energy: -1691.748 where: short stacking energy: -724.892 Base-Backbone interact. energy: -1.816 local terms energy: -771.843683 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -166.456 flat angles P-C4'-P energy: -110.364 tors. eta vs tors. theta energy: -218.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2245.848674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.848674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.848674 (E_RNA) where: Base-Base interactions energy: -1519.351 where: short stacking energy: -668.759 Base-Backbone interact. energy: -3.728 local terms energy: -722.769903 where: bonds (distance) C4'-P energy: -139.864 bonds (distance) P-C4' energy: -122.815 flat angles C4'-P-C4' energy: -152.121 flat angles P-C4'-P energy: -109.321 tors. eta vs tors. theta energy: -198.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2077.211027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.211027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.211027 (E_RNA) where: Base-Base interactions energy: -1412.180 where: short stacking energy: -627.816 Base-Backbone interact. energy: 0.160 local terms energy: -665.190764 where: bonds (distance) C4'-P energy: -123.640 bonds (distance) P-C4' energy: -135.435 flat angles C4'-P-C4' energy: -142.174 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -164.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1973.447100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.447100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.447100 (E_RNA) where: Base-Base interactions energy: -1314.605 where: short stacking energy: -587.059 Base-Backbone interact. energy: 3.285 local terms energy: -662.127297 where: bonds (distance) C4'-P energy: -134.719 bonds (distance) P-C4' energy: -137.188 flat angles C4'-P-C4' energy: -136.487 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -160.181 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: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1680.408624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.408624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.408624 (E_RNA) where: Base-Base interactions energy: -1096.065 where: short stacking energy: -476.745 Base-Backbone interact. energy: -0.797 local terms energy: -583.546093 where: bonds (distance) C4'-P energy: -113.305 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -92.877 tors. eta vs tors. theta energy: -106.663 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: 262 Temperature: 1.250000 Total energy: -1539.071937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.071937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.071937 (E_RNA) where: Base-Base interactions energy: -986.772 where: short stacking energy: -467.118 Base-Backbone interact. energy: -0.787 local terms energy: -551.512096 where: bonds (distance) C4'-P energy: -120.611 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -144.780 flat angles P-C4'-P energy: -76.281 tors. eta vs tors. theta energy: -94.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1231.925123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.925123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.925123 (E_RNA) where: Base-Base interactions energy: -770.908 where: short stacking energy: -350.027 Base-Backbone interact. energy: -0.182 local terms energy: -460.834789 where: bonds (distance) C4'-P energy: -112.739 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -104.892 flat angles P-C4'-P energy: -77.250 tors. eta vs tors. theta energy: -41.169 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: 262 Temperature: 1.350000 Total energy: -792.367181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.367181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.367181 (E_RNA) where: Base-Base interactions energy: -394.843 where: short stacking energy: -233.027 Base-Backbone interact. energy: 0.509 local terms energy: -398.033311 where: bonds (distance) C4'-P energy: -113.638 bonds (distance) P-C4' energy: -127.035 flat angles C4'-P-C4' energy: -91.974 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2660.849415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.849415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.849415 (E_RNA) where: Base-Base interactions energy: -1888.745 where: short stacking energy: -750.117 Base-Backbone interact. energy: -1.514 local terms energy: -770.590175 where: bonds (distance) C4'-P energy: -159.361 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -163.004 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -202.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2623.002526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.002526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.002526 (E_RNA) where: Base-Base interactions energy: -1853.348 where: short stacking energy: -750.179 Base-Backbone interact. energy: -4.852 local terms energy: -764.803266 where: bonds (distance) C4'-P energy: -138.641 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -160.573 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -209.251 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: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2494.906714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.906714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.906714 (E_RNA) where: Base-Base interactions energy: -1734.027 where: short stacking energy: -742.251 Base-Backbone interact. energy: 2.765 local terms energy: -763.645390 where: bonds (distance) C4'-P energy: -137.323 bonds (distance) P-C4' energy: -133.600 flat angles C4'-P-C4' energy: -168.371 flat angles P-C4'-P energy: -108.470 tors. eta vs tors. theta energy: -215.882 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: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2238.675371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.675371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.675371 (E_RNA) where: Base-Base interactions energy: -1525.861 where: short stacking energy: -693.162 Base-Backbone interact. energy: -3.108 local terms energy: -709.707111 where: bonds (distance) C4'-P energy: -113.603 bonds (distance) P-C4' energy: -148.283 flat angles C4'-P-C4' energy: -164.614 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -190.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2074.309601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.309601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.309601 (E_RNA) where: Base-Base interactions energy: -1439.444 where: short stacking energy: -593.173 Base-Backbone interact. energy: 1.751 local terms energy: -636.616514 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -138.634 flat angles C4'-P-C4' energy: -144.067 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -153.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1969.501529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.501529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.501529 (E_RNA) where: Base-Base interactions energy: -1316.115 where: short stacking energy: -607.844 Base-Backbone interact. energy: -1.288 local terms energy: -652.098677 where: bonds (distance) C4'-P energy: -138.109 bonds (distance) P-C4' energy: -112.422 flat angles C4'-P-C4' energy: -142.297 flat angles P-C4'-P energy: -96.201 tors. eta vs tors. theta energy: -163.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1695.478617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.478617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.478617 (E_RNA) where: Base-Base interactions energy: -1091.531 where: short stacking energy: -476.783 Base-Backbone interact. energy: -4.779 local terms energy: -599.168479 where: bonds (distance) C4'-P energy: -133.474 bonds (distance) P-C4' energy: -114.312 flat angles C4'-P-C4' energy: -127.076 flat angles P-C4'-P energy: -101.297 tors. eta vs tors. theta energy: -123.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1398.818792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.818792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.818792 (E_RNA) where: Base-Base interactions energy: -853.457 where: short stacking energy: -390.314 Base-Backbone interact. energy: 4.020 local terms energy: -549.381718 where: bonds (distance) C4'-P energy: -111.166 bonds (distance) P-C4' energy: -150.884 flat angles C4'-P-C4' energy: -120.853 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -78.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1252.536303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.536303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.536303 (E_RNA) where: Base-Base interactions energy: -743.861 where: short stacking energy: -356.846 Base-Backbone interact. energy: -0.716 local terms energy: -507.959632 where: bonds (distance) C4'-P energy: -139.005 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -107.657 flat angles P-C4'-P energy: -96.630 tors. eta vs tors. theta energy: -46.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -824.065265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.065265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.065265 (E_RNA) where: Base-Base interactions energy: -394.690 where: short stacking energy: -212.079 Base-Backbone interact. energy: -2.313 local terms energy: -427.062175 where: bonds (distance) C4'-P energy: -123.473 bonds (distance) P-C4' energy: -123.061 flat angles C4'-P-C4' energy: -105.929 flat angles P-C4'-P energy: -68.973 tors. eta vs tors. theta energy: -5.627 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2633.860186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.860186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.860186 (E_RNA) where: Base-Base interactions energy: -1853.558 where: short stacking energy: -726.479 Base-Backbone interact. energy: -2.315 local terms energy: -777.987032 where: bonds (distance) C4'-P energy: -137.262 bonds (distance) P-C4' energy: -157.078 flat angles C4'-P-C4' energy: -159.388 flat angles P-C4'-P energy: -110.055 tors. eta vs tors. theta energy: -214.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2660.176295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.176295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.176295 (E_RNA) where: Base-Base interactions energy: -1875.833 where: short stacking energy: -776.369 Base-Backbone interact. energy: -5.052 local terms energy: -779.290833 where: bonds (distance) C4'-P energy: -154.522 bonds (distance) P-C4' energy: -149.511 flat angles C4'-P-C4' energy: -165.478 flat angles P-C4'-P energy: -100.017 tors. eta vs tors. theta energy: -209.764 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: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2525.885697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.885697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.885697 (E_RNA) where: Base-Base interactions energy: -1745.933 where: short stacking energy: -729.710 Base-Backbone interact. energy: -1.598 local terms energy: -778.354522 where: bonds (distance) C4'-P energy: -134.652 bonds (distance) P-C4' energy: -163.243 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -201.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2232.753573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.753573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.753573 (E_RNA) where: Base-Base interactions energy: -1508.339 where: short stacking energy: -646.036 Base-Backbone interact. energy: -7.379 local terms energy: -717.036377 where: bonds (distance) C4'-P energy: -125.477 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -157.653 flat angles P-C4'-P energy: -111.860 tors. eta vs tors. theta energy: -188.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2075.887170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.887170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.887170 (E_RNA) where: Base-Base interactions energy: -1446.935 where: short stacking energy: -606.372 Base-Backbone interact. energy: -0.708 local terms energy: -628.244855 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -148.784 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -156.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1976.470746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.470746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.470746 (E_RNA) where: Base-Base interactions energy: -1331.350 where: short stacking energy: -568.662 Base-Backbone interact. energy: -0.054 local terms energy: -645.067166 where: bonds (distance) C4'-P energy: -132.307 bonds (distance) P-C4' energy: -135.186 flat angles C4'-P-C4' energy: -143.153 flat angles P-C4'-P energy: -81.987 tors. eta vs tors. theta energy: -152.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1716.004570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.004570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.004570 (E_RNA) where: Base-Base interactions energy: -1156.003 where: short stacking energy: -499.166 Base-Backbone interact. energy: -1.287 local terms energy: -558.714604 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -123.350 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -106.652 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: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1368.734625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.734625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.734625 (E_RNA) where: Base-Base interactions energy: -858.761 where: short stacking energy: -393.296 Base-Backbone interact. energy: 2.412 local terms energy: -512.384788 where: bonds (distance) C4'-P energy: -112.670 bonds (distance) P-C4' energy: -138.658 flat angles C4'-P-C4' energy: -127.155 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -58.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1223.976779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.976779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.976779 (E_RNA) where: Base-Base interactions energy: -730.311 where: short stacking energy: -354.670 Base-Backbone interact. energy: 9.771 local terms energy: -503.436526 where: bonds (distance) C4'-P energy: -129.992 bonds (distance) P-C4' energy: -130.348 flat angles C4'-P-C4' energy: -119.326 flat angles P-C4'-P energy: -56.261 tors. eta vs tors. theta energy: -67.510 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: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -849.296891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.296891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.296891 (E_RNA) where: Base-Base interactions energy: -444.345 where: short stacking energy: -241.911 Base-Backbone interact. energy: 0.288 local terms energy: -405.240196 where: bonds (distance) C4'-P energy: -124.187 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -82.310 flat angles P-C4'-P energy: -76.762 tors. eta vs tors. theta energy: -0.376 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: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2615.280655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.280655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.280655 (E_RNA) where: Base-Base interactions energy: -1837.035 where: short stacking energy: -744.854 Base-Backbone interact. energy: -0.587 local terms energy: -777.659161 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -155.626 flat angles C4'-P-C4' energy: -160.188 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -207.610 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: 265 Temperature: 0.950000 Total energy: -2587.581573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.581573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.581573 (E_RNA) where: Base-Base interactions energy: -1830.991 where: short stacking energy: -743.182 Base-Backbone interact. energy: -2.600 local terms energy: -753.990393 where: bonds (distance) C4'-P energy: -139.553 bonds (distance) P-C4' energy: -149.983 flat angles C4'-P-C4' energy: -164.967 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -198.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2488.799260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.799260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.799260 (E_RNA) where: Base-Base interactions energy: -1723.964 where: short stacking energy: -726.417 Base-Backbone interact. energy: 2.774 local terms energy: -767.608787 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -118.768 flat angles C4'-P-C4' energy: -178.219 flat angles P-C4'-P energy: -118.430 tors. eta vs tors. theta energy: -216.767 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: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2260.251386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.251386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.251386 (E_RNA) where: Base-Base interactions energy: -1573.245 where: short stacking energy: -677.246 Base-Backbone interact. energy: 0.475 local terms energy: -687.480975 where: bonds (distance) C4'-P energy: -129.323 bonds (distance) P-C4' energy: -128.202 flat angles C4'-P-C4' energy: -141.804 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -194.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2083.951512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.951512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.951512 (E_RNA) where: Base-Base interactions energy: -1428.533 where: short stacking energy: -610.076 Base-Backbone interact. energy: -1.695 local terms energy: -653.723246 where: bonds (distance) C4'-P energy: -114.198 bonds (distance) P-C4' energy: -158.207 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -155.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1972.705927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.705927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.705927 (E_RNA) where: Base-Base interactions energy: -1336.942 where: short stacking energy: -573.254 Base-Backbone interact. energy: -1.385 local terms energy: -634.378723 where: bonds (distance) C4'-P energy: -123.661 bonds (distance) P-C4' energy: -124.193 flat angles C4'-P-C4' energy: -150.018 flat angles P-C4'-P energy: -91.194 tors. eta vs tors. theta energy: -145.313 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: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1695.831141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.831141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.831141 (E_RNA) where: Base-Base interactions energy: -1127.378 where: short stacking energy: -483.641 Base-Backbone interact. energy: 0.118 local terms energy: -568.570267 where: bonds (distance) C4'-P energy: -119.351 bonds (distance) P-C4' energy: -125.578 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -109.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1430.170565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.170565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.170565 (E_RNA) where: Base-Base interactions energy: -908.792 where: short stacking energy: -399.379 Base-Backbone interact. energy: -0.552 local terms energy: -520.826398 where: bonds (distance) C4'-P energy: -127.968 bonds (distance) P-C4' energy: -118.784 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -70.009 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1206.968552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.968552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.968552 (E_RNA) where: Base-Base interactions energy: -721.192 where: short stacking energy: -339.272 Base-Backbone interact. energy: -1.520 local terms energy: -484.257275 where: bonds (distance) C4'-P energy: -130.926 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -108.782 flat angles P-C4'-P energy: -62.174 tors. eta vs tors. theta energy: -53.878 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: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -860.377363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.377363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.377363 (E_RNA) where: Base-Base interactions energy: -470.043 where: short stacking energy: -243.501 Base-Backbone interact. energy: -2.486 local terms energy: -387.848948 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -137.405 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -50.339 tors. eta vs tors. theta energy: -4.440 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: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2633.376326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.376326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.376326 (E_RNA) where: Base-Base interactions energy: -1859.659 where: short stacking energy: -736.745 Base-Backbone interact. energy: -4.206 local terms energy: -769.511483 where: bonds (distance) C4'-P energy: -150.608 bonds (distance) P-C4' energy: -149.908 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -108.111 tors. eta vs tors. theta energy: -209.285 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: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2610.283428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.283428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.283428 (E_RNA) where: Base-Base interactions energy: -1832.394 where: short stacking energy: -736.297 Base-Backbone interact. energy: -0.766 local terms energy: -777.123955 where: bonds (distance) C4'-P energy: -141.077 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -158.511 flat angles P-C4'-P energy: -120.035 tors. eta vs tors. theta energy: -207.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2484.412983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.412983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.412983 (E_RNA) where: Base-Base interactions energy: -1729.269 where: short stacking energy: -730.487 Base-Backbone interact. energy: -1.754 local terms energy: -753.389394 where: bonds (distance) C4'-P energy: -133.016 bonds (distance) P-C4' energy: -147.871 flat angles C4'-P-C4' energy: -154.377 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -221.379 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2215.209879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.209879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.209879 (E_RNA) where: Base-Base interactions energy: -1496.302 where: short stacking energy: -667.178 Base-Backbone interact. energy: 2.190 local terms energy: -721.098208 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -144.205 flat angles C4'-P-C4' energy: -156.117 flat angles P-C4'-P energy: -101.821 tors. eta vs tors. theta energy: -181.647 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: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2077.510244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.510244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.510244 (E_RNA) where: Base-Base interactions energy: -1408.022 where: short stacking energy: -582.179 Base-Backbone interact. energy: -1.651 local terms energy: -667.837963 where: bonds (distance) C4'-P energy: -123.854 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -152.134 flat angles P-C4'-P energy: -103.507 tors. eta vs tors. theta energy: -160.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1939.139875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.139875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.139875 (E_RNA) where: Base-Base interactions energy: -1326.706 where: short stacking energy: -587.124 Base-Backbone interact. energy: 0.059 local terms energy: -612.492513 where: bonds (distance) C4'-P energy: -116.485 bonds (distance) P-C4' energy: -115.036 flat angles C4'-P-C4' energy: -131.066 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -162.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1693.515299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.515299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.515299 (E_RNA) where: Base-Base interactions energy: -1093.900 where: short stacking energy: -483.458 Base-Backbone interact. energy: -1.494 local terms energy: -598.121223 where: bonds (distance) C4'-P energy: -116.272 bonds (distance) P-C4' energy: -123.839 flat angles C4'-P-C4' energy: -137.455 flat angles P-C4'-P energy: -98.390 tors. eta vs tors. theta energy: -122.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1459.126828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.126828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.126828 (E_RNA) where: Base-Base interactions energy: -906.770 where: short stacking energy: -412.735 Base-Backbone interact. energy: -2.365 local terms energy: -549.991574 where: bonds (distance) C4'-P energy: -137.305 bonds (distance) P-C4' energy: -138.560 flat angles C4'-P-C4' energy: -124.767 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -65.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1225.360827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.360827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.360827 (E_RNA) where: Base-Base interactions energy: -767.409 where: short stacking energy: -351.753 Base-Backbone interact. energy: 1.063 local terms energy: -459.014574 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -98.134 flat angles C4'-P-C4' energy: -105.650 flat angles P-C4'-P energy: -85.893 tors. eta vs tors. theta energy: -51.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -788.594209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.594209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.594209 (E_RNA) where: Base-Base interactions energy: -374.268 where: short stacking energy: -223.531 Base-Backbone interact. energy: 1.586 local terms energy: -415.912697 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -131.858 flat angles C4'-P-C4' energy: -101.104 flat angles P-C4'-P energy: -49.140 tors. eta vs tors. theta energy: -10.137 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: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2660.753059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.753059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.753059 (E_RNA) where: Base-Base interactions energy: -1871.069 where: short stacking energy: -760.164 Base-Backbone interact. energy: -3.941 local terms energy: -785.742665 where: bonds (distance) C4'-P energy: -161.596 bonds (distance) P-C4' energy: -157.601 flat angles C4'-P-C4' energy: -158.917 flat angles P-C4'-P energy: -104.906 tors. eta vs tors. theta energy: -202.723 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: 267 Temperature: 0.950000 Total energy: -2609.756445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.756445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.756445 (E_RNA) where: Base-Base interactions energy: -1850.953 where: short stacking energy: -741.618 Base-Backbone interact. energy: -3.660 local terms energy: -755.142622 where: bonds (distance) C4'-P energy: -156.305 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -144.976 flat angles P-C4'-P energy: -107.645 tors. eta vs tors. theta energy: -196.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2474.344398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.344398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.344398 (E_RNA) where: Base-Base interactions energy: -1712.066 where: short stacking energy: -735.836 Base-Backbone interact. energy: -0.054 local terms energy: -762.224366 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -139.916 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -113.783 tors. eta vs tors. theta energy: -220.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2228.162104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.162104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.162104 (E_RNA) where: Base-Base interactions energy: -1530.322 where: short stacking energy: -660.796 Base-Backbone interact. energy: 1.286 local terms energy: -699.125574 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -120.570 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -95.655 tors. eta vs tors. theta energy: -185.556 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: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2045.073799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.073799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.073799 (E_RNA) where: Base-Base interactions energy: -1409.658 where: short stacking energy: -597.809 Base-Backbone interact. energy: 0.138 local terms energy: -635.554060 where: bonds (distance) C4'-P energy: -122.231 bonds (distance) P-C4' energy: -133.959 flat angles C4'-P-C4' energy: -148.744 flat angles P-C4'-P energy: -95.894 tors. eta vs tors. theta energy: -134.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1928.016433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.016433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.016433 (E_RNA) where: Base-Base interactions energy: -1279.753 where: short stacking energy: -537.186 Base-Backbone interact. energy: -0.495 local terms energy: -647.768534 where: bonds (distance) C4'-P energy: -110.522 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -101.430 tors. eta vs tors. theta energy: -148.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1689.277698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.277698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.277698 (E_RNA) where: Base-Base interactions energy: -1065.134 where: short stacking energy: -478.669 Base-Backbone interact. energy: -1.516 local terms energy: -622.627989 where: bonds (distance) C4'-P energy: -122.131 bonds (distance) P-C4' energy: -124.468 flat angles C4'-P-C4' energy: -148.528 flat angles P-C4'-P energy: -90.960 tors. eta vs tors. theta energy: -136.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1434.089586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.089586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.089586 (E_RNA) where: Base-Base interactions energy: -901.156 where: short stacking energy: -382.689 Base-Backbone interact. energy: -1.879 local terms energy: -531.054163 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -114.523 flat angles C4'-P-C4' energy: -135.180 flat angles P-C4'-P energy: -92.315 tors. eta vs tors. theta energy: -66.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1235.242260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.242260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.242260 (E_RNA) where: Base-Base interactions energy: -750.089 where: short stacking energy: -349.018 Base-Backbone interact. energy: 1.631 local terms energy: -486.784816 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -90.545 flat angles C4'-P-C4' energy: -126.793 flat angles P-C4'-P energy: -69.644 tors. eta vs tors. theta energy: -66.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -856.223856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.223856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.223856 (E_RNA) where: Base-Base interactions energy: -428.566 where: short stacking energy: -243.088 Base-Backbone interact. energy: -0.573 local terms energy: -427.085427 where: bonds (distance) C4'-P energy: -123.419 bonds (distance) P-C4' energy: -144.839 flat angles C4'-P-C4' energy: -96.740 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2662.016675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.016675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.016675 (E_RNA) where: Base-Base interactions energy: -1884.060 where: short stacking energy: -758.663 Base-Backbone interact. energy: -6.908 local terms energy: -771.048524 where: bonds (distance) C4'-P energy: -130.296 bonds (distance) P-C4' energy: -162.478 flat angles C4'-P-C4' energy: -153.940 flat angles P-C4'-P energy: -116.734 tors. eta vs tors. theta energy: -207.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2602.985706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.985706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.985706 (E_RNA) where: Base-Base interactions energy: -1849.994 where: short stacking energy: -756.567 Base-Backbone interact. energy: -1.360 local terms energy: -751.632374 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -137.596 flat angles C4'-P-C4' energy: -151.906 flat angles P-C4'-P energy: -109.273 tors. eta vs tors. theta energy: -206.339 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: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2473.432788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.432788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.432788 (E_RNA) where: Base-Base interactions energy: -1695.848 where: short stacking energy: -738.213 Base-Backbone interact. energy: -2.735 local terms energy: -774.849178 where: bonds (distance) C4'-P energy: -146.217 bonds (distance) P-C4' energy: -134.131 flat angles C4'-P-C4' energy: -162.724 flat angles P-C4'-P energy: -115.177 tors. eta vs tors. theta energy: -216.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2259.619405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.619405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.619405 (E_RNA) where: Base-Base interactions energy: -1512.848 where: short stacking energy: -673.801 Base-Backbone interact. energy: -1.230 local terms energy: -745.541624 where: bonds (distance) C4'-P energy: -133.006 bonds (distance) P-C4' energy: -140.523 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -113.840 tors. eta vs tors. theta energy: -194.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2096.989322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.989322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.989322 (E_RNA) where: Base-Base interactions energy: -1433.364 where: short stacking energy: -588.625 Base-Backbone interact. energy: -2.194 local terms energy: -661.430552 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -140.368 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -95.863 tors. eta vs tors. theta energy: -152.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1958.174709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.174709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.174709 (E_RNA) where: Base-Base interactions energy: -1300.981 where: short stacking energy: -582.712 Base-Backbone interact. energy: -3.617 local terms energy: -653.576350 where: bonds (distance) C4'-P energy: -126.244 bonds (distance) P-C4' energy: -137.663 flat angles C4'-P-C4' energy: -144.847 flat angles P-C4'-P energy: -89.513 tors. eta vs tors. theta energy: -155.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1736.078732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.078732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.078732 (E_RNA) where: Base-Base interactions energy: -1161.889 where: short stacking energy: -516.983 Base-Backbone interact. energy: 3.631 local terms energy: -577.821519 where: bonds (distance) C4'-P energy: -112.396 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -146.685 flat angles P-C4'-P energy: -84.470 tors. eta vs tors. theta energy: -115.686 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: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1494.785234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.785234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.785234 (E_RNA) where: Base-Base interactions energy: -996.669 where: short stacking energy: -430.648 Base-Backbone interact. energy: -0.770 local terms energy: -497.346040 where: bonds (distance) C4'-P energy: -107.527 bonds (distance) P-C4' energy: -137.350 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -65.760 tors. eta vs tors. theta energy: -83.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1158.769129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.769129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.769129 (E_RNA) where: Base-Base interactions energy: -725.565 where: short stacking energy: -321.674 Base-Backbone interact. energy: -0.444 local terms energy: -432.760122 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -93.926 flat angles C4'-P-C4' energy: -127.513 flat angles P-C4'-P energy: -76.995 tors. eta vs tors. theta energy: -15.869 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: 268 Temperature: 1.350000 Total energy: -875.277633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.277633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.277633 (E_RNA) where: Base-Base interactions energy: -460.123 where: short stacking energy: -250.811 Base-Backbone interact. energy: -3.637 local terms energy: -411.517365 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -123.879 flat angles C4'-P-C4' energy: -79.614 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -8.716 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: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2669.705817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.705817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.705817 (E_RNA) where: Base-Base interactions energy: -1876.551 where: short stacking energy: -765.814 Base-Backbone interact. energy: -3.268 local terms energy: -789.886757 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -153.030 flat angles C4'-P-C4' energy: -163.937 flat angles P-C4'-P energy: -121.053 tors. eta vs tors. theta energy: -217.890 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: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2557.230939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.230939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.230939 (E_RNA) where: Base-Base interactions energy: -1758.647 where: short stacking energy: -763.009 Base-Backbone interact. energy: -2.418 local terms energy: -796.166336 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -163.096 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -218.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2516.544795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.544795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.544795 (E_RNA) where: Base-Base interactions energy: -1765.732 where: short stacking energy: -742.633 Base-Backbone interact. energy: -5.451 local terms energy: -745.361672 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -160.984 flat angles P-C4'-P energy: -99.294 tors. eta vs tors. theta energy: -207.941 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: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2279.022322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.022322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.022322 (E_RNA) where: Base-Base interactions energy: -1556.056 where: short stacking energy: -709.527 Base-Backbone interact. energy: -2.459 local terms energy: -720.506898 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -140.572 flat angles C4'-P-C4' energy: -149.572 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -202.639 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: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2066.036761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.036761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.036761 (E_RNA) where: Base-Base interactions energy: -1413.138 where: short stacking energy: -586.850 Base-Backbone interact. energy: -2.567 local terms energy: -650.330946 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -152.794 flat angles C4'-P-C4' energy: -141.108 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -156.372 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: 269 Temperature: 1.150000 Total energy: -2035.257479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.257479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.257479 (E_RNA) where: Base-Base interactions energy: -1387.404 where: short stacking energy: -605.741 Base-Backbone interact. energy: -1.428 local terms energy: -646.426357 where: bonds (distance) C4'-P energy: -119.551 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -148.142 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -166.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1721.037816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.037816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.037816 (E_RNA) where: Base-Base interactions energy: -1151.856 where: short stacking energy: -506.337 Base-Backbone interact. energy: -1.173 local terms energy: -568.009520 where: bonds (distance) C4'-P energy: -112.422 bonds (distance) P-C4' energy: -108.154 flat angles C4'-P-C4' energy: -143.566 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -108.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1474.530380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.530380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.530380 (E_RNA) where: Base-Base interactions energy: -937.217 where: short stacking energy: -409.654 Base-Backbone interact. energy: -2.998 local terms energy: -534.315975 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -114.603 flat angles C4'-P-C4' energy: -126.546 flat angles P-C4'-P energy: -90.864 tors. eta vs tors. theta energy: -88.617 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1132.469059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.469059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.469059 (E_RNA) where: Base-Base interactions energy: -670.028 where: short stacking energy: -318.141 Base-Backbone interact. energy: 2.511 local terms energy: -464.951600 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -137.310 flat angles C4'-P-C4' energy: -107.618 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -30.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -862.174902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.174902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.174902 (E_RNA) where: Base-Base interactions energy: -457.723 where: short stacking energy: -259.648 Base-Backbone interact. energy: 4.272 local terms energy: -408.724004 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -115.804 flat angles P-C4'-P energy: -53.429 tors. eta vs tors. theta energy: -7.040 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: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2658.813477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.813477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.813477 (E_RNA) where: Base-Base interactions energy: -1858.210 where: short stacking energy: -740.593 Base-Backbone interact. energy: -5.728 local terms energy: -794.874826 where: bonds (distance) C4'-P energy: -159.788 bonds (distance) P-C4' energy: -157.990 flat angles C4'-P-C4' energy: -155.626 flat angles P-C4'-P energy: -105.556 tors. eta vs tors. theta energy: -215.915 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: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2591.239176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.239176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.239176 (E_RNA) where: Base-Base interactions energy: -1799.850 where: short stacking energy: -785.190 Base-Backbone interact. energy: -4.608 local terms energy: -786.781145 where: bonds (distance) C4'-P energy: -146.841 bonds (distance) P-C4' energy: -139.930 flat angles C4'-P-C4' energy: -157.742 flat angles P-C4'-P energy: -113.828 tors. eta vs tors. theta energy: -228.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2508.722387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.722387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.722387 (E_RNA) where: Base-Base interactions energy: -1775.206 where: short stacking energy: -741.543 Base-Backbone interact. energy: -1.180 local terms energy: -732.336694 where: bonds (distance) C4'-P energy: -147.493 bonds (distance) P-C4' energy: -125.853 flat angles C4'-P-C4' energy: -161.955 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -195.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2241.962743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.962743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.962743 (E_RNA) where: Base-Base interactions energy: -1514.354 where: short stacking energy: -699.659 Base-Backbone interact. energy: -2.105 local terms energy: -725.503341 where: bonds (distance) C4'-P energy: -138.213 bonds (distance) P-C4' energy: -147.780 flat angles C4'-P-C4' energy: -143.852 flat angles P-C4'-P energy: -85.302 tors. eta vs tors. theta energy: -210.357 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: 270 Temperature: 1.100000 Total energy: -2089.406043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.406043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.406043 (E_RNA) where: Base-Base interactions energy: -1428.053 where: short stacking energy: -605.099 Base-Backbone interact. energy: -2.624 local terms energy: -658.729246 where: bonds (distance) C4'-P energy: -124.853 bonds (distance) P-C4' energy: -126.884 flat angles C4'-P-C4' energy: -157.153 flat angles P-C4'-P energy: -94.474 tors. eta vs tors. theta energy: -155.365 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: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2021.897582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.897582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.897582 (E_RNA) where: Base-Base interactions energy: -1344.129 where: short stacking energy: -577.024 Base-Backbone interact. energy: -1.871 local terms energy: -675.897846 where: bonds (distance) C4'-P energy: -132.510 bonds (distance) P-C4' energy: -130.808 flat angles C4'-P-C4' energy: -147.625 flat angles P-C4'-P energy: -103.982 tors. eta vs tors. theta energy: -160.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1722.114284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.114284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.114284 (E_RNA) where: Base-Base interactions energy: -1160.584 where: short stacking energy: -498.750 Base-Backbone interact. energy: 0.127 local terms energy: -561.657366 where: bonds (distance) C4'-P energy: -114.151 bonds (distance) P-C4' energy: -128.274 flat angles C4'-P-C4' energy: -152.482 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -104.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1493.387475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.387475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.387475 (E_RNA) where: Base-Base interactions energy: -965.688 where: short stacking energy: -425.622 Base-Backbone interact. energy: -1.293 local terms energy: -526.406388 where: bonds (distance) C4'-P energy: -112.446 bonds (distance) P-C4' energy: -108.810 flat angles C4'-P-C4' energy: -123.823 flat angles P-C4'-P energy: -87.596 tors. eta vs tors. theta energy: -93.731 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: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1135.285264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.285264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.285264 (E_RNA) where: Base-Base interactions energy: -677.346 where: short stacking energy: -320.728 Base-Backbone interact. energy: 3.221 local terms energy: -461.160132 where: bonds (distance) C4'-P energy: -104.905 bonds (distance) P-C4' energy: -107.140 flat angles C4'-P-C4' energy: -120.668 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -47.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -842.551281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.551281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.551281 (E_RNA) where: Base-Base interactions energy: -438.432 where: short stacking energy: -248.702 Base-Backbone interact. energy: 0.754 local terms energy: -404.873416 where: bonds (distance) C4'-P energy: -110.086 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -102.481 flat angles P-C4'-P energy: -58.788 tors. eta vs tors. theta energy: -8.823 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: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2633.688391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.688391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.688391 (E_RNA) where: Base-Base interactions energy: -1863.962 where: short stacking energy: -750.147 Base-Backbone interact. energy: -2.598 local terms energy: -767.128324 where: bonds (distance) C4'-P energy: -139.399 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -158.998 flat angles P-C4'-P energy: -117.683 tors. eta vs tors. theta energy: -211.571 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: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2577.626189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.626189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.626189 (E_RNA) where: Base-Base interactions energy: -1795.747 where: short stacking energy: -775.509 Base-Backbone interact. energy: -2.689 local terms energy: -779.189399 where: bonds (distance) C4'-P energy: -146.279 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -155.414 flat angles P-C4'-P energy: -108.262 tors. eta vs tors. theta energy: -234.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2519.989260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.989260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.989260 (E_RNA) where: Base-Base interactions energy: -1762.066 where: short stacking energy: -719.817 Base-Backbone interact. energy: -2.164 local terms energy: -755.759325 where: bonds (distance) C4'-P energy: -130.801 bonds (distance) P-C4' energy: -158.992 flat angles C4'-P-C4' energy: -162.931 flat angles P-C4'-P energy: -99.340 tors. eta vs tors. theta energy: -203.695 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: 271 Temperature: 1.050000 Total energy: -2265.282370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.282370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.282370 (E_RNA) where: Base-Base interactions energy: -1559.146 where: short stacking energy: -680.900 Base-Backbone interact. energy: -2.186 local terms energy: -703.950313 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -116.709 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -107.992 tors. eta vs tors. theta energy: -197.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2085.840237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.840237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.840237 (E_RNA) where: Base-Base interactions energy: -1397.496 where: short stacking energy: -583.731 Base-Backbone interact. energy: -0.091 local terms energy: -688.253355 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -128.399 flat angles C4'-P-C4' energy: -141.681 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -171.755 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: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2097.502565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.502565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.502565 (E_RNA) where: Base-Base interactions energy: -1414.023 where: short stacking energy: -601.236 Base-Backbone interact. energy: -1.551 local terms energy: -681.928651 where: bonds (distance) C4'-P energy: -124.550 bonds (distance) P-C4' energy: -120.805 flat angles C4'-P-C4' energy: -153.247 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -175.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1752.585265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.585265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.585265 (E_RNA) where: Base-Base interactions energy: -1181.497 where: short stacking energy: -503.215 Base-Backbone interact. energy: -1.716 local terms energy: -569.371819 where: bonds (distance) C4'-P energy: -108.794 bonds (distance) P-C4' energy: -119.978 flat angles C4'-P-C4' energy: -138.493 flat angles P-C4'-P energy: -78.627 tors. eta vs tors. theta energy: -123.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1486.583124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.583124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.583124 (E_RNA) where: Base-Base interactions energy: -981.151 where: short stacking energy: -423.521 Base-Backbone interact. energy: 0.059 local terms energy: -505.491412 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -126.995 flat angles C4'-P-C4' energy: -106.373 flat angles P-C4'-P energy: -66.816 tors. eta vs tors. theta energy: -94.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1178.255441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.255441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.255441 (E_RNA) where: Base-Base interactions energy: -679.945 where: short stacking energy: -338.614 Base-Backbone interact. energy: 2.839 local terms energy: -501.149759 where: bonds (distance) C4'-P energy: -126.509 bonds (distance) P-C4' energy: -118.409 flat angles C4'-P-C4' energy: -124.615 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -47.298 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: 271 Temperature: 1.350000 Total energy: -888.477738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.477738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.477738 (E_RNA) where: Base-Base interactions energy: -470.730 where: short stacking energy: -233.258 Base-Backbone interact. energy: -2.584 local terms energy: -415.163644 where: bonds (distance) C4'-P energy: -98.652 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -127.658 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -3.630 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: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2625.177985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.177985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.177985 (E_RNA) where: Base-Base interactions energy: -1819.727 where: short stacking energy: -791.107 Base-Backbone interact. energy: -1.141 local terms energy: -804.309849 where: bonds (distance) C4'-P energy: -159.548 bonds (distance) P-C4' energy: -159.722 flat angles C4'-P-C4' energy: -156.994 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -226.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2574.033633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.033633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.033633 (E_RNA) where: Base-Base interactions energy: -1824.884 where: short stacking energy: -713.941 Base-Backbone interact. energy: -2.770 local terms energy: -746.380244 where: bonds (distance) C4'-P energy: -147.570 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -98.390 tors. eta vs tors. theta energy: -195.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2519.067025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.067025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.067025 (E_RNA) where: Base-Base interactions energy: -1776.330 where: short stacking energy: -733.973 Base-Backbone interact. energy: 1.324 local terms energy: -744.061141 where: bonds (distance) C4'-P energy: -138.505 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -159.411 flat angles P-C4'-P energy: -98.571 tors. eta vs tors. theta energy: -202.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2246.932915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.932915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.932915 (E_RNA) where: Base-Base interactions energy: -1535.527 where: short stacking energy: -710.639 Base-Backbone interact. energy: -2.800 local terms energy: -708.606116 where: bonds (distance) C4'-P energy: -115.101 bonds (distance) P-C4' energy: -130.661 flat angles C4'-P-C4' energy: -149.809 flat angles P-C4'-P energy: -97.061 tors. eta vs tors. theta energy: -215.975 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: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2173.977361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.977361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.977361 (E_RNA) where: Base-Base interactions energy: -1487.223 where: short stacking energy: -624.710 Base-Backbone interact. energy: -2.848 local terms energy: -683.906309 where: bonds (distance) C4'-P energy: -145.620 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -138.182 flat angles P-C4'-P energy: -103.832 tors. eta vs tors. theta energy: -172.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1974.024929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.024929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.024929 (E_RNA) where: Base-Base interactions energy: -1344.072 where: short stacking energy: -568.546 Base-Backbone interact. energy: -4.810 local terms energy: -625.142745 where: bonds (distance) C4'-P energy: -122.738 bonds (distance) P-C4' energy: -129.671 flat angles C4'-P-C4' energy: -136.424 flat angles P-C4'-P energy: -87.723 tors. eta vs tors. theta energy: -148.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1746.364214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.364214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.364214 (E_RNA) where: Base-Base interactions energy: -1141.898 where: short stacking energy: -515.455 Base-Backbone interact. energy: -1.685 local terms energy: -602.781881 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -147.764 flat angles C4'-P-C4' energy: -134.597 flat angles P-C4'-P energy: -68.341 tors. eta vs tors. theta energy: -134.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1496.925128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.925128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.925128 (E_RNA) where: Base-Base interactions energy: -984.782 where: short stacking energy: -444.141 Base-Backbone interact. energy: -1.453 local terms energy: -510.690311 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -134.572 flat angles C4'-P-C4' energy: -129.163 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -80.014 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: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1164.232294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.232294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.232294 (E_RNA) where: Base-Base interactions energy: -701.623 where: short stacking energy: -318.832 Base-Backbone interact. energy: 5.238 local terms energy: -467.846554 where: bonds (distance) C4'-P energy: -114.531 bonds (distance) P-C4' energy: -125.686 flat angles C4'-P-C4' energy: -107.058 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -25.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -970.157386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.157386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.157386 (E_RNA) where: Base-Base interactions energy: -519.809 where: short stacking energy: -266.842 Base-Backbone interact. energy: 4.078 local terms energy: -454.425610 where: bonds (distance) C4'-P energy: -131.853 bonds (distance) P-C4' energy: -116.954 flat angles C4'-P-C4' energy: -108.170 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -31.712 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: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2667.948947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.948947 (E_RNA) where: Base-Base interactions energy: -1829.775 where: short stacking energy: -803.467 Base-Backbone interact. energy: -3.189 local terms energy: -834.984951 where: bonds (distance) C4'-P energy: -141.928 bonds (distance) P-C4' energy: -157.683 flat angles C4'-P-C4' energy: -177.234 flat angles P-C4'-P energy: -122.971 tors. eta vs tors. theta energy: -235.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2564.519428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.519428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.519428 (E_RNA) where: Base-Base interactions energy: -1798.461 where: short stacking energy: -712.176 Base-Backbone interact. energy: -3.673 local terms energy: -762.384829 where: bonds (distance) C4'-P energy: -153.430 bonds (distance) P-C4' energy: -146.342 flat angles C4'-P-C4' energy: -160.412 flat angles P-C4'-P energy: -106.686 tors. eta vs tors. theta energy: -195.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2488.686358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.686358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.686358 (E_RNA) where: Base-Base interactions energy: -1725.544 where: short stacking energy: -708.442 Base-Backbone interact. energy: -1.678 local terms energy: -761.464068 where: bonds (distance) C4'-P energy: -153.493 bonds (distance) P-C4' energy: -149.425 flat angles C4'-P-C4' energy: -163.996 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -193.520 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: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2241.456803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.456803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.456803 (E_RNA) where: Base-Base interactions energy: -1516.155 where: short stacking energy: -690.932 Base-Backbone interact. energy: 1.691 local terms energy: -726.993507 where: bonds (distance) C4'-P energy: -116.351 bonds (distance) P-C4' energy: -147.662 flat angles C4'-P-C4' energy: -169.530 flat angles P-C4'-P energy: -106.829 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: 273 Temperature: 1.100000 Total energy: -2075.407211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.407211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.407211 (E_RNA) where: Base-Base interactions energy: -1404.261 where: short stacking energy: -629.705 Base-Backbone interact. energy: -4.789 local terms energy: -666.356686 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -135.432 flat angles C4'-P-C4' energy: -145.832 flat angles P-C4'-P energy: -103.989 tors. eta vs tors. theta energy: -155.122 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: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1994.417362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.417362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.417362 (E_RNA) where: Base-Base interactions energy: -1372.611 where: short stacking energy: -578.515 Base-Backbone interact. energy: -1.882 local terms energy: -619.924302 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -122.041 flat angles C4'-P-C4' energy: -138.707 flat angles P-C4'-P energy: -83.889 tors. eta vs tors. theta energy: -142.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1756.372477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.372477 (E_RNA) where: Base-Base interactions energy: -1189.435 where: short stacking energy: -509.001 Base-Backbone interact. energy: -0.624 local terms energy: -566.313959 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -107.725 flat angles C4'-P-C4' energy: -132.815 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -115.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1465.724119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.724119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.724119 (E_RNA) where: Base-Base interactions energy: -927.556 where: short stacking energy: -424.795 Base-Backbone interact. energy: -4.574 local terms energy: -533.593940 where: bonds (distance) C4'-P energy: -113.861 bonds (distance) P-C4' energy: -141.432 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -85.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1159.861598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.861598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.861598 (E_RNA) where: Base-Base interactions energy: -697.040 where: short stacking energy: -340.390 Base-Backbone interact. energy: -3.175 local terms energy: -459.646319 where: bonds (distance) C4'-P energy: -115.669 bonds (distance) P-C4' energy: -141.282 flat angles C4'-P-C4' energy: -108.560 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: -35.424 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: 273 Temperature: 1.350000 Total energy: -1025.428331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.428331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.428331 (E_RNA) where: Base-Base interactions energy: -601.872 where: short stacking energy: -277.830 Base-Backbone interact. energy: 1.980 local terms energy: -425.535828 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -128.924 flat angles C4'-P-C4' energy: -106.735 flat angles P-C4'-P energy: -72.192 tors. eta vs tors. theta energy: -18.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2653.226295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.226295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.226295 (E_RNA) where: Base-Base interactions energy: -1858.420 where: short stacking energy: -751.189 Base-Backbone interact. energy: -3.115 local terms energy: -791.690633 where: bonds (distance) C4'-P energy: -158.239 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -165.835 flat angles P-C4'-P energy: -98.818 tors. eta vs tors. theta energy: -211.127 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: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2598.840666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.840666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.840666 (E_RNA) where: Base-Base interactions energy: -1771.355 where: short stacking energy: -762.326 Base-Backbone interact. energy: 0.772 local terms energy: -828.257641 where: bonds (distance) C4'-P energy: -154.372 bonds (distance) P-C4' energy: -155.041 flat angles C4'-P-C4' energy: -170.948 flat angles P-C4'-P energy: -117.118 tors. eta vs tors. theta energy: -230.778 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: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2484.050276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.050276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.050276 (E_RNA) where: Base-Base interactions energy: -1764.281 where: short stacking energy: -709.256 Base-Backbone interact. energy: 6.380 local terms energy: -726.149241 where: bonds (distance) C4'-P energy: -120.238 bonds (distance) P-C4' energy: -139.716 flat angles C4'-P-C4' energy: -161.218 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -199.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2228.210720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.210720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.210720 (E_RNA) where: Base-Base interactions energy: -1510.393 where: short stacking energy: -688.503 Base-Backbone interact. energy: -3.171 local terms energy: -714.647242 where: bonds (distance) C4'-P energy: -134.656 bonds (distance) P-C4' energy: -130.828 flat angles C4'-P-C4' energy: -152.400 flat angles P-C4'-P energy: -101.079 tors. eta vs tors. theta energy: -195.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1970.033248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.033248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.033248 (E_RNA) where: Base-Base interactions energy: -1331.163 where: short stacking energy: -597.398 Base-Backbone interact. energy: -4.181 local terms energy: -634.689085 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -151.547 flat angles P-C4'-P energy: -94.597 tors. eta vs tors. theta energy: -153.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1945.992292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.992292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.992292 (E_RNA) where: Base-Base interactions energy: -1299.795 where: short stacking energy: -533.903 Base-Backbone interact. energy: -3.968 local terms energy: -642.229135 where: bonds (distance) C4'-P energy: -132.767 bonds (distance) P-C4' energy: -137.329 flat angles C4'-P-C4' energy: -143.182 flat angles P-C4'-P energy: -82.066 tors. eta vs tors. theta energy: -146.886 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: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1716.602664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.602664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.602664 (E_RNA) where: Base-Base interactions energy: -1130.718 where: short stacking energy: -518.784 Base-Backbone interact. energy: 0.564 local terms energy: -586.448775 where: bonds (distance) C4'-P energy: -128.577 bonds (distance) P-C4' energy: -125.301 flat angles C4'-P-C4' energy: -136.818 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -126.458 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: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1488.894304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.894304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.894304 (E_RNA) where: Base-Base interactions energy: -958.653 where: short stacking energy: -397.469 Base-Backbone interact. energy: -4.083 local terms energy: -526.158087 where: bonds (distance) C4'-P energy: -118.194 bonds (distance) P-C4' energy: -108.340 flat angles C4'-P-C4' energy: -121.527 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -81.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1173.824619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.824619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.824619 (E_RNA) where: Base-Base interactions energy: -738.629 where: short stacking energy: -325.089 Base-Backbone interact. energy: -2.807 local terms energy: -432.388151 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -120.292 flat angles C4'-P-C4' energy: -108.548 flat angles P-C4'-P energy: -64.307 tors. eta vs tors. theta energy: -24.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -960.720025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.720025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.720025 (E_RNA) where: Base-Base interactions energy: -518.689 where: short stacking energy: -257.342 Base-Backbone interact. energy: -1.394 local terms energy: -440.636902 where: bonds (distance) C4'-P energy: -126.780 bonds (distance) P-C4' energy: -134.758 flat angles C4'-P-C4' energy: -115.578 flat angles P-C4'-P energy: -53.563 tors. eta vs tors. theta energy: -9.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2654.483338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.483338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.483338 (E_RNA) where: Base-Base interactions energy: -1887.739 where: short stacking energy: -757.005 Base-Backbone interact. energy: -3.594 local terms energy: -763.151117 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -156.655 flat angles C4'-P-C4' energy: -162.845 flat angles P-C4'-P energy: -98.274 tors. eta vs tors. theta energy: -215.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2580.524696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.524696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.524696 (E_RNA) where: Base-Base interactions energy: -1758.055 where: short stacking energy: -750.158 Base-Backbone interact. energy: -4.002 local terms energy: -818.468328 where: bonds (distance) C4'-P energy: -142.603 bonds (distance) P-C4' energy: -152.716 flat angles C4'-P-C4' energy: -182.537 flat angles P-C4'-P energy: -109.418 tors. eta vs tors. theta energy: -231.194 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: 275 Temperature: 1.000000 Total energy: -2522.364865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.364865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.364865 (E_RNA) where: Base-Base interactions energy: -1785.409 where: short stacking energy: -729.154 Base-Backbone interact. energy: -3.009 local terms energy: -733.946322 where: bonds (distance) C4'-P energy: -137.384 bonds (distance) P-C4' energy: -128.276 flat angles C4'-P-C4' energy: -170.267 flat angles P-C4'-P energy: -98.161 tors. eta vs tors. theta energy: -199.858 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: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2204.087544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.087544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.087544 (E_RNA) where: Base-Base interactions energy: -1504.199 where: short stacking energy: -675.044 Base-Backbone interact. energy: -2.962 local terms energy: -696.926569 where: bonds (distance) C4'-P energy: -141.249 bonds (distance) P-C4' energy: -114.893 flat angles C4'-P-C4' energy: -156.906 flat angles P-C4'-P energy: -98.124 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: 5, replica: 3 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2003.739830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.739830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.739830 (E_RNA) where: Base-Base interactions energy: -1329.821 where: short stacking energy: -598.301 Base-Backbone interact. energy: -4.311 local terms energy: -669.607173 where: bonds (distance) C4'-P energy: -115.668 bonds (distance) P-C4' energy: -132.224 flat angles C4'-P-C4' energy: -157.723 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -155.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1914.574200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.574200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.574200 (E_RNA) where: Base-Base interactions energy: -1291.602 where: short stacking energy: -535.651 Base-Backbone interact. energy: -1.921 local terms energy: -621.051493 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -123.587 flat angles C4'-P-C4' energy: -146.401 flat angles P-C4'-P energy: -92.063 tors. eta vs tors. theta energy: -139.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1730.353151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.353151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.353151 (E_RNA) where: Base-Base interactions energy: -1162.253 where: short stacking energy: -517.444 Base-Backbone interact. energy: -3.521 local terms energy: -564.579023 where: bonds (distance) C4'-P energy: -117.816 bonds (distance) P-C4' energy: -123.444 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -114.961 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: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1514.156148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.156148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.156148 (E_RNA) where: Base-Base interactions energy: -978.152 where: short stacking energy: -431.604 Base-Backbone interact. energy: -3.878 local terms energy: -532.126144 where: bonds (distance) C4'-P energy: -105.237 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -73.548 tors. eta vs tors. theta energy: -85.097 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: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1195.696169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.696169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.696169 (E_RNA) where: Base-Base interactions energy: -733.989 where: short stacking energy: -359.378 Base-Backbone interact. energy: 0.831 local terms energy: -462.537874 where: bonds (distance) C4'-P energy: -107.542 bonds (distance) P-C4' energy: -131.989 flat angles C4'-P-C4' energy: -122.028 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -39.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -936.554310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.554310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.554310 (E_RNA) where: Base-Base interactions energy: -508.376 where: short stacking energy: -283.182 Base-Backbone interact. energy: 3.338 local terms energy: -431.515983 where: bonds (distance) C4'-P energy: -119.831 bonds (distance) P-C4' energy: -128.772 flat angles C4'-P-C4' energy: -115.942 flat angles P-C4'-P energy: -53.536 tors. eta vs tors. theta energy: -13.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2676.923307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.923307 (E_RNA) where: Base-Base interactions energy: -1887.955 where: short stacking energy: -753.171 Base-Backbone interact. energy: -4.206 local terms energy: -784.762611 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -168.346 flat angles P-C4'-P energy: -106.235 tors. eta vs tors. theta energy: -217.606 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: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2570.849691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.849691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.849691 (E_RNA) where: Base-Base interactions energy: -1788.059 where: short stacking energy: -773.490 Base-Backbone interact. energy: -1.787 local terms energy: -781.004048 where: bonds (distance) C4'-P energy: -143.248 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -169.103 flat angles P-C4'-P energy: -110.229 tors. eta vs tors. theta energy: -224.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2541.580498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.580498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.580498 (E_RNA) where: Base-Base interactions energy: -1789.710 where: short stacking energy: -736.070 Base-Backbone interact. energy: -1.349 local terms energy: -750.520986 where: bonds (distance) C4'-P energy: -139.551 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -171.652 flat angles P-C4'-P energy: -103.533 tors. eta vs tors. theta energy: -219.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2245.921649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.921649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.921649 (E_RNA) where: Base-Base interactions energy: -1509.485 where: short stacking energy: -663.338 Base-Backbone interact. energy: -3.000 local terms energy: -733.437040 where: bonds (distance) C4'-P energy: -124.020 bonds (distance) P-C4' energy: -134.697 flat angles C4'-P-C4' energy: -163.317 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -203.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2121.212908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.212908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.212908 (E_RNA) where: Base-Base interactions energy: -1418.411 where: short stacking energy: -618.761 Base-Backbone interact. energy: -1.223 local terms energy: -701.578253 where: bonds (distance) C4'-P energy: -137.919 bonds (distance) P-C4' energy: -139.127 flat angles C4'-P-C4' energy: -148.834 flat angles P-C4'-P energy: -95.121 tors. eta vs tors. theta energy: -180.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1906.911936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.911936 (E_RNA) where: Base-Base interactions energy: -1263.495 where: short stacking energy: -529.787 Base-Backbone interact. energy: -2.848 local terms energy: -640.569431 where: bonds (distance) C4'-P energy: -118.723 bonds (distance) P-C4' energy: -153.092 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -125.404 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: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1687.153197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.153197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.153197 (E_RNA) where: Base-Base interactions energy: -1094.249 where: short stacking energy: -486.411 Base-Backbone interact. energy: 0.018 local terms energy: -592.922073 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -129.873 flat angles C4'-P-C4' energy: -144.601 flat angles P-C4'-P energy: -89.425 tors. eta vs tors. theta energy: -113.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1536.203334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.203334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.203334 (E_RNA) where: Base-Base interactions energy: -994.247 where: short stacking energy: -447.059 Base-Backbone interact. energy: -3.710 local terms energy: -538.246290 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -127.200 flat angles C4'-P-C4' energy: -116.609 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -92.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1180.039627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.039627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.039627 (E_RNA) where: Base-Base interactions energy: -710.079 where: short stacking energy: -344.324 Base-Backbone interact. energy: 0.490 local terms energy: -470.449996 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -115.728 flat angles C4'-P-C4' energy: -108.000 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -42.525 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: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -924.564688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.564688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.564688 (E_RNA) where: Base-Base interactions energy: -502.023 where: short stacking energy: -261.021 Base-Backbone interact. energy: -0.902 local terms energy: -421.639159 where: bonds (distance) C4'-P energy: -137.759 bonds (distance) P-C4' energy: -125.148 flat angles C4'-P-C4' energy: -114.054 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: 14.537 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: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2624.990208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.990208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.990208 (E_RNA) where: Base-Base interactions energy: -1857.334 where: short stacking energy: -738.836 Base-Backbone interact. energy: -1.737 local terms energy: -765.919347 where: bonds (distance) C4'-P energy: -151.984 bonds (distance) P-C4' energy: -147.111 flat angles C4'-P-C4' energy: -153.402 flat angles P-C4'-P energy: -113.458 tors. eta vs tors. theta energy: -199.963 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: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2614.903147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.903147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.903147 (E_RNA) where: Base-Base interactions energy: -1803.213 where: short stacking energy: -781.970 Base-Backbone interact. energy: -2.428 local terms energy: -809.261357 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -150.892 flat angles C4'-P-C4' energy: -169.813 flat angles P-C4'-P energy: -116.341 tors. eta vs tors. theta energy: -225.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2530.184823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.184823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.184823 (E_RNA) where: Base-Base interactions energy: -1762.492 where: short stacking energy: -726.583 Base-Backbone interact. energy: -0.838 local terms energy: -766.854859 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -158.271 flat angles P-C4'-P energy: -108.100 tors. eta vs tors. theta energy: -205.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2235.568900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.568900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.568900 (E_RNA) where: Base-Base interactions energy: -1506.018 where: short stacking energy: -674.380 Base-Backbone interact. energy: -2.698 local terms energy: -726.852448 where: bonds (distance) C4'-P energy: -133.957 bonds (distance) P-C4' energy: -123.114 flat angles C4'-P-C4' energy: -166.842 flat angles P-C4'-P energy: -98.579 tors. eta vs tors. theta energy: -204.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2121.182152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.182152 (E_RNA) where: Base-Base interactions energy: -1443.527 where: short stacking energy: -619.272 Base-Backbone interact. energy: -0.838 local terms energy: -676.817001 where: bonds (distance) C4'-P energy: -127.598 bonds (distance) P-C4' energy: -140.424 flat angles C4'-P-C4' energy: -131.214 flat angles P-C4'-P energy: -96.964 tors. eta vs tors. theta energy: -180.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1917.126467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.126467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.126467 (E_RNA) where: Base-Base interactions energy: -1303.968 where: short stacking energy: -574.621 Base-Backbone interact. energy: -0.557 local terms energy: -612.601693 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -138.927 flat angles P-C4'-P energy: -73.531 tors. eta vs tors. theta energy: -157.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1704.047425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.047425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.047425 (E_RNA) where: Base-Base interactions energy: -1128.774 where: short stacking energy: -499.350 Base-Backbone interact. energy: -0.266 local terms energy: -575.008132 where: bonds (distance) C4'-P energy: -110.290 bonds (distance) P-C4' energy: -130.341 flat angles C4'-P-C4' energy: -137.622 flat angles P-C4'-P energy: -79.764 tors. eta vs tors. theta energy: -116.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1569.417526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.417526 (E_RNA) where: Base-Base interactions energy: -1017.465 where: short stacking energy: -439.666 Base-Backbone interact. energy: -1.987 local terms energy: -549.965546 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -120.388 flat angles C4'-P-C4' energy: -113.265 flat angles P-C4'-P energy: -100.182 tors. eta vs tors. theta energy: -100.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1259.204131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.204131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.204131 (E_RNA) where: Base-Base interactions energy: -785.435 where: short stacking energy: -365.217 Base-Backbone interact. energy: -0.865 local terms energy: -472.904757 where: bonds (distance) C4'-P energy: -100.337 bonds (distance) P-C4' energy: -120.077 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: -61.700 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: 277 Temperature: 1.350000 Total energy: -957.451352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.451352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.451352 (E_RNA) where: Base-Base interactions energy: -504.690 where: short stacking energy: -285.004 Base-Backbone interact. energy: 4.328 local terms energy: -457.088501 where: bonds (distance) C4'-P energy: -120.041 bonds (distance) P-C4' energy: -120.236 flat angles C4'-P-C4' energy: -118.863 flat angles P-C4'-P energy: -55.979 tors. eta vs tors. theta energy: -41.971 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: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2654.427739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.427739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.427739 (E_RNA) where: Base-Base interactions energy: -1863.920 where: short stacking energy: -792.082 Base-Backbone interact. energy: -3.673 local terms energy: -786.834771 where: bonds (distance) C4'-P energy: -145.628 bonds (distance) P-C4' energy: -141.021 flat angles C4'-P-C4' energy: -167.175 flat angles P-C4'-P energy: -114.122 tors. eta vs tors. theta energy: -218.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2590.282309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.282309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.282309 (E_RNA) where: Base-Base interactions energy: -1828.401 where: short stacking energy: -755.187 Base-Backbone interact. energy: -1.460 local terms energy: -760.421648 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -153.479 flat angles C4'-P-C4' energy: -164.323 flat angles P-C4'-P energy: -100.385 tors. eta vs tors. theta energy: -208.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2535.187366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.187366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.187366 (E_RNA) where: Base-Base interactions energy: -1777.034 where: short stacking energy: -720.152 Base-Backbone interact. energy: -1.721 local terms energy: -756.433100 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -149.347 flat angles C4'-P-C4' energy: -168.092 flat angles P-C4'-P energy: -96.531 tors. eta vs tors. theta energy: -199.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2221.312902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.312902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.312902 (E_RNA) where: Base-Base interactions energy: -1492.316 where: short stacking energy: -677.548 Base-Backbone interact. energy: -3.810 local terms energy: -725.187188 where: bonds (distance) C4'-P energy: -133.277 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -154.798 flat angles P-C4'-P energy: -104.404 tors. eta vs tors. theta energy: -195.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2116.424275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.424275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.424275 (E_RNA) where: Base-Base interactions energy: -1424.211 where: short stacking energy: -649.458 Base-Backbone interact. energy: -1.621 local terms energy: -690.592072 where: bonds (distance) C4'-P energy: -124.787 bonds (distance) P-C4' energy: -129.392 flat angles C4'-P-C4' energy: -150.479 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -181.426 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: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1867.613986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.613986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.613986 (E_RNA) where: Base-Base interactions energy: -1259.123 where: short stacking energy: -566.225 Base-Backbone interact. energy: 6.541 local terms energy: -615.032292 where: bonds (distance) C4'-P energy: -107.274 bonds (distance) P-C4' energy: -132.495 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -92.158 tors. eta vs tors. theta energy: -147.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1699.176212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.176212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.176212 (E_RNA) where: Base-Base interactions energy: -1113.117 where: short stacking energy: -475.245 Base-Backbone interact. energy: 0.403 local terms energy: -586.462234 where: bonds (distance) C4'-P energy: -133.440 bonds (distance) P-C4' energy: -134.551 flat angles C4'-P-C4' energy: -131.180 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -119.297 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: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1603.996713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.996713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.996713 (E_RNA) where: Base-Base interactions energy: -1044.384 where: short stacking energy: -476.362 Base-Backbone interact. energy: 6.915 local terms energy: -566.527040 where: bonds (distance) C4'-P energy: -115.076 bonds (distance) P-C4' energy: -125.498 flat angles C4'-P-C4' energy: -130.752 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -102.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1222.370892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.370892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.370892 (E_RNA) where: Base-Base interactions energy: -732.507 where: short stacking energy: -345.027 Base-Backbone interact. energy: 2.061 local terms energy: -491.925138 where: bonds (distance) C4'-P energy: -123.808 bonds (distance) P-C4' energy: -128.022 flat angles C4'-P-C4' energy: -113.078 flat angles P-C4'-P energy: -66.962 tors. eta vs tors. theta energy: -60.056 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: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -916.580001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.580001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.580001 (E_RNA) where: Base-Base interactions energy: -521.203 where: short stacking energy: -279.247 Base-Backbone interact. energy: -4.648 local terms energy: -390.728108 where: bonds (distance) C4'-P energy: -105.254 bonds (distance) P-C4' energy: -129.679 flat angles C4'-P-C4' energy: -90.538 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -18.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2667.460979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.460979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.460979 (E_RNA) where: Base-Base interactions energy: -1848.895 where: short stacking energy: -800.522 Base-Backbone interact. energy: -1.787 local terms energy: -816.779279 where: bonds (distance) C4'-P energy: -137.286 bonds (distance) P-C4' energy: -148.407 flat angles C4'-P-C4' energy: -177.777 flat angles P-C4'-P energy: -119.301 tors. eta vs tors. theta energy: -234.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2585.686077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.686077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.686077 (E_RNA) where: Base-Base interactions energy: -1827.020 where: short stacking energy: -750.724 Base-Backbone interact. energy: -4.231 local terms energy: -754.434952 where: bonds (distance) C4'-P energy: -136.757 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -158.668 flat angles P-C4'-P energy: -95.612 tors. eta vs tors. theta energy: -212.519 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: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2537.018442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.018442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.018442 (E_RNA) where: Base-Base interactions energy: -1786.145 where: short stacking energy: -709.859 Base-Backbone interact. energy: -2.422 local terms energy: -748.451071 where: bonds (distance) C4'-P energy: -124.907 bonds (distance) P-C4' energy: -155.600 flat angles C4'-P-C4' energy: -171.135 flat angles P-C4'-P energy: -104.608 tors. eta vs tors. theta energy: -192.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2237.150420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.150420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.150420 (E_RNA) where: Base-Base interactions energy: -1515.472 where: short stacking energy: -689.988 Base-Backbone interact. energy: -3.403 local terms energy: -718.275523 where: bonds (distance) C4'-P energy: -137.085 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -165.244 flat angles P-C4'-P energy: -91.242 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: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2148.312343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.312343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.312343 (E_RNA) where: Base-Base interactions energy: -1459.843 where: short stacking energy: -644.265 Base-Backbone interact. energy: -3.329 local terms energy: -685.140799 where: bonds (distance) C4'-P energy: -124.184 bonds (distance) P-C4' energy: -136.353 flat angles C4'-P-C4' energy: -159.512 flat angles P-C4'-P energy: -90.457 tors. eta vs tors. theta energy: -174.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1884.345207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.345207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.345207 (E_RNA) where: Base-Base interactions energy: -1297.955 where: short stacking energy: -575.082 Base-Backbone interact. energy: -0.254 local terms energy: -586.136185 where: bonds (distance) C4'-P energy: -105.875 bonds (distance) P-C4' energy: -119.435 flat angles C4'-P-C4' energy: -139.650 flat angles P-C4'-P energy: -67.832 tors. eta vs tors. theta energy: -153.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1744.224947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.224947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.224947 (E_RNA) where: Base-Base interactions energy: -1190.198 where: short stacking energy: -507.300 Base-Backbone interact. energy: 5.696 local terms energy: -559.722931 where: bonds (distance) C4'-P energy: -111.883 bonds (distance) P-C4' energy: -125.638 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -107.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1516.279338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.279338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.279338 (E_RNA) where: Base-Base interactions energy: -978.591 where: short stacking energy: -432.953 Base-Backbone interact. energy: -0.183 local terms energy: -537.505914 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -98.296 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -75.041 tors. eta vs tors. theta energy: -93.221 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: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1195.789345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.789345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.789345 (E_RNA) where: Base-Base interactions energy: -730.457 where: short stacking energy: -351.217 Base-Backbone interact. energy: 7.047 local terms energy: -472.379536 where: bonds (distance) C4'-P energy: -111.679 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -118.866 flat angles P-C4'-P energy: -70.648 tors. eta vs tors. theta energy: -46.566 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: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -957.833060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.833060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.833060 (E_RNA) where: Base-Base interactions energy: -523.971 where: short stacking energy: -274.284 Base-Backbone interact. energy: 0.941 local terms energy: -434.802731 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -124.929 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -11.201 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: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2685.865936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.865936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.865936 (E_RNA) where: Base-Base interactions energy: -1865.584 where: short stacking energy: -787.021 Base-Backbone interact. energy: -2.257 local terms energy: -818.024963 where: bonds (distance) C4'-P energy: -146.932 bonds (distance) P-C4' energy: -160.754 flat angles C4'-P-C4' energy: -172.660 flat angles P-C4'-P energy: -112.710 tors. eta vs tors. theta energy: -224.969 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: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2536.598561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.598561 (E_RNA) where: Base-Base interactions energy: -1764.048 where: short stacking energy: -730.730 Base-Backbone interact. energy: -0.627 local terms energy: -771.923533 where: bonds (distance) C4'-P energy: -139.116 bonds (distance) P-C4' energy: -156.417 flat angles C4'-P-C4' energy: -159.659 flat angles P-C4'-P energy: -113.117 tors. eta vs tors. theta energy: -203.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2530.772969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.772969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.772969 (E_RNA) where: Base-Base interactions energy: -1760.159 where: short stacking energy: -731.698 Base-Backbone interact. energy: 2.610 local terms energy: -773.223585 where: bonds (distance) C4'-P energy: -133.696 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -166.434 flat angles P-C4'-P energy: -117.758 tors. eta vs tors. theta energy: -213.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2240.517261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.517261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.517261 (E_RNA) where: Base-Base interactions energy: -1510.123 where: short stacking energy: -693.305 Base-Backbone interact. energy: -1.474 local terms energy: -728.920337 where: bonds (distance) C4'-P energy: -136.687 bonds (distance) P-C4' energy: -132.764 flat angles C4'-P-C4' energy: -149.474 flat angles P-C4'-P energy: -106.823 tors. eta vs tors. theta energy: -203.172 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: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2167.107741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.107741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.107741 (E_RNA) where: Base-Base interactions energy: -1500.494 where: short stacking energy: -634.631 Base-Backbone interact. energy: -2.593 local terms energy: -664.021205 where: bonds (distance) C4'-P energy: -127.559 bonds (distance) P-C4' energy: -118.947 flat angles C4'-P-C4' energy: -153.597 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -173.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1851.734220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.734220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.734220 (E_RNA) where: Base-Base interactions energy: -1238.767 where: short stacking energy: -540.767 Base-Backbone interact. energy: -0.109 local terms energy: -612.857903 where: bonds (distance) C4'-P energy: -135.166 bonds (distance) P-C4' energy: -149.913 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -124.694 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: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1706.501952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.501952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.501952 (E_RNA) where: Base-Base interactions energy: -1109.781 where: short stacking energy: -467.191 Base-Backbone interact. energy: 1.947 local terms energy: -598.668517 where: bonds (distance) C4'-P energy: -146.512 bonds (distance) P-C4' energy: -124.757 flat angles C4'-P-C4' energy: -140.754 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: -103.521 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: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1499.268271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.268271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.268271 (E_RNA) where: Base-Base interactions energy: -943.616 where: short stacking energy: -427.860 Base-Backbone interact. energy: -1.403 local terms energy: -554.249441 where: bonds (distance) C4'-P energy: -128.342 bonds (distance) P-C4' energy: -146.954 flat angles C4'-P-C4' energy: -135.248 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -80.638 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: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1122.507320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.507320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.507320 (E_RNA) where: Base-Base interactions energy: -674.900 where: short stacking energy: -317.657 Base-Backbone interact. energy: 1.817 local terms energy: -449.424600 where: bonds (distance) C4'-P energy: -101.136 bonds (distance) P-C4' energy: -128.134 flat angles C4'-P-C4' energy: -126.815 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -38.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -952.427885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.427885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.427885 (E_RNA) where: Base-Base interactions energy: -553.322 where: short stacking energy: -293.735 Base-Backbone interact. energy: 1.592 local terms energy: -400.698450 where: bonds (distance) C4'-P energy: -94.531 bonds (distance) P-C4' energy: -122.886 flat angles C4'-P-C4' energy: -109.572 flat angles P-C4'-P energy: -51.770 tors. eta vs tors. theta energy: -21.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2700.458758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.458758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.458758 (E_RNA) where: Base-Base interactions energy: -1877.226 where: short stacking energy: -793.843 Base-Backbone interact. energy: 1.403 local terms energy: -824.634863 where: bonds (distance) C4'-P energy: -140.342 bonds (distance) P-C4' energy: -159.915 flat angles C4'-P-C4' energy: -172.749 flat angles P-C4'-P energy: -123.046 tors. eta vs tors. theta energy: -228.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2629.643570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.643570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.643570 (E_RNA) where: Base-Base interactions energy: -1816.144 where: short stacking energy: -741.262 Base-Backbone interact. energy: -1.197 local terms energy: -812.301808 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -157.599 flat angles C4'-P-C4' energy: -176.781 flat angles P-C4'-P energy: -120.671 tors. eta vs tors. theta energy: -206.435 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: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2478.934626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.934626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.934626 (E_RNA) where: Base-Base interactions energy: -1735.222 where: short stacking energy: -692.016 Base-Backbone interact. energy: -5.413 local terms energy: -738.299607 where: bonds (distance) C4'-P energy: -127.758 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -164.809 flat angles P-C4'-P energy: -121.506 tors. eta vs tors. theta energy: -183.257 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: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2212.762679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.762679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.762679 (E_RNA) where: Base-Base interactions energy: -1508.937 where: short stacking energy: -662.354 Base-Backbone interact. energy: -2.137 local terms energy: -701.689013 where: bonds (distance) C4'-P energy: -137.633 bonds (distance) P-C4' energy: -119.666 flat angles C4'-P-C4' energy: -153.004 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -191.648 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: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2109.005040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.005040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.005040 (E_RNA) where: Base-Base interactions energy: -1421.429 where: short stacking energy: -625.040 Base-Backbone interact. energy: 0.810 local terms energy: -688.385513 where: bonds (distance) C4'-P energy: -132.440 bonds (distance) P-C4' energy: -130.702 flat angles C4'-P-C4' energy: -160.153 flat angles P-C4'-P energy: -94.620 tors. eta vs tors. theta energy: -170.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1791.555145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.555145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.555145 (E_RNA) where: Base-Base interactions energy: -1186.567 where: short stacking energy: -533.041 Base-Backbone interact. energy: -0.842 local terms energy: -604.145931 where: bonds (distance) C4'-P energy: -100.448 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -126.303 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -140.929 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: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1710.460572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.460572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.460572 (E_RNA) where: Base-Base interactions energy: -1146.045 where: short stacking energy: -486.889 Base-Backbone interact. energy: 0.778 local terms energy: -565.193702 where: bonds (distance) C4'-P energy: -118.479 bonds (distance) P-C4' energy: -119.191 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -88.713 tors. eta vs tors. theta energy: -100.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1465.277936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.277936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.277936 (E_RNA) where: Base-Base interactions energy: -963.951 where: short stacking energy: -418.276 Base-Backbone interact. energy: 6.285 local terms energy: -507.612242 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -132.301 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: -81.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1206.391085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.391085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.391085 (E_RNA) where: Base-Base interactions energy: -724.708 where: short stacking energy: -341.005 Base-Backbone interact. energy: -4.265 local terms energy: -477.417847 where: bonds (distance) C4'-P energy: -120.566 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -121.206 flat angles P-C4'-P energy: -65.302 tors. eta vs tors. theta energy: -42.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -976.653698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.653698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.653698 (E_RNA) where: Base-Base interactions energy: -558.268 where: short stacking energy: -283.719 Base-Backbone interact. energy: -0.172 local terms energy: -418.213306 where: bonds (distance) C4'-P energy: -117.141 bonds (distance) P-C4' energy: -128.728 flat angles C4'-P-C4' energy: -100.907 flat angles P-C4'-P energy: -51.227 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2641.868070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.868070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.868070 (E_RNA) where: Base-Base interactions energy: -1851.598 where: short stacking energy: -742.800 Base-Backbone interact. energy: -1.847 local terms energy: -788.423106 where: bonds (distance) C4'-P energy: -136.083 bonds (distance) P-C4' energy: -160.169 flat angles C4'-P-C4' energy: -168.089 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -205.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2638.260638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.260638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.260638 (E_RNA) where: Base-Base interactions energy: -1845.134 where: short stacking energy: -792.086 Base-Backbone interact. energy: -3.527 local terms energy: -789.599997 where: bonds (distance) C4'-P energy: -125.374 bonds (distance) P-C4' energy: -151.686 flat angles C4'-P-C4' energy: -162.742 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -229.904 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: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2474.948947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.948947 (E_RNA) where: Base-Base interactions energy: -1752.823 where: short stacking energy: -687.043 Base-Backbone interact. energy: 0.273 local terms energy: -722.398892 where: bonds (distance) C4'-P energy: -126.703 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -164.230 flat angles P-C4'-P energy: -97.987 tors. eta vs tors. theta energy: -191.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2223.497122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.497122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.497122 (E_RNA) where: Base-Base interactions energy: -1502.986 where: short stacking energy: -676.743 Base-Backbone interact. energy: -1.086 local terms energy: -719.426030 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -136.813 flat angles C4'-P-C4' energy: -162.470 flat angles P-C4'-P energy: -111.233 tors. eta vs tors. theta energy: -189.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2147.045087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.045087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.045087 (E_RNA) where: Base-Base interactions energy: -1468.221 where: short stacking energy: -664.614 Base-Backbone interact. energy: -1.187 local terms energy: -677.636476 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -121.915 flat angles C4'-P-C4' energy: -160.453 flat angles P-C4'-P energy: -101.822 tors. eta vs tors. theta energy: -184.639 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: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1803.427104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.427104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.427104 (E_RNA) where: Base-Base interactions energy: -1203.102 where: short stacking energy: -519.965 Base-Backbone interact. energy: -1.498 local terms energy: -598.827842 where: bonds (distance) C4'-P energy: -123.978 bonds (distance) P-C4' energy: -131.968 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -96.715 tors. eta vs tors. theta energy: -118.223 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: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1786.397038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.397038 (E_RNA) where: Base-Base interactions energy: -1199.479 where: short stacking energy: -523.834 Base-Backbone interact. energy: -2.225 local terms energy: -584.692885 where: bonds (distance) C4'-P energy: -118.893 bonds (distance) P-C4' energy: -126.750 flat angles C4'-P-C4' energy: -146.175 flat angles P-C4'-P energy: -75.142 tors. eta vs tors. theta energy: -117.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1570.273294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.273294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.273294 (E_RNA) where: Base-Base interactions energy: -1004.654 where: short stacking energy: -452.984 Base-Backbone interact. energy: -2.279 local terms energy: -563.340249 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -131.843 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -92.617 tors. eta vs tors. theta energy: -75.072 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: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1187.576445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.576445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.576445 (E_RNA) where: Base-Base interactions energy: -700.567 where: short stacking energy: -325.742 Base-Backbone interact. energy: -3.016 local terms energy: -483.993208 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -133.658 flat angles C4'-P-C4' energy: -112.363 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: -39.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1041.912108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.912108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.912108 (E_RNA) where: Base-Base interactions energy: -605.671 where: short stacking energy: -288.638 Base-Backbone interact. energy: -1.733 local terms energy: -434.508929 where: bonds (distance) C4'-P energy: -126.542 bonds (distance) P-C4' energy: -131.654 flat angles C4'-P-C4' energy: -101.797 flat angles P-C4'-P energy: -53.540 tors. eta vs tors. theta energy: -20.977 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: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2685.062852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.062852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.062852 (E_RNA) where: Base-Base interactions energy: -1889.877 where: short stacking energy: -763.117 Base-Backbone interact. energy: 0.907 local terms energy: -796.092352 where: bonds (distance) C4'-P energy: -149.856 bonds (distance) P-C4' energy: -154.099 flat angles C4'-P-C4' energy: -177.544 flat angles P-C4'-P energy: -109.272 tors. eta vs tors. theta energy: -205.323 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: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2608.609945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.609945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.609945 (E_RNA) where: Base-Base interactions energy: -1838.167 where: short stacking energy: -756.456 Base-Backbone interact. energy: 2.540 local terms energy: -772.983136 where: bonds (distance) C4'-P energy: -150.837 bonds (distance) P-C4' energy: -126.834 flat angles C4'-P-C4' energy: -154.177 flat angles P-C4'-P energy: -114.503 tors. eta vs tors. theta energy: -226.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2464.884645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.884645 (E_RNA) where: Base-Base interactions energy: -1740.870 where: short stacking energy: -677.272 Base-Backbone interact. energy: 0.526 local terms energy: -724.541055 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -140.327 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -110.052 tors. eta vs tors. theta energy: -192.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2237.550441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.550441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.550441 (E_RNA) where: Base-Base interactions energy: -1527.356 where: short stacking energy: -680.619 Base-Backbone interact. energy: 3.999 local terms energy: -714.194059 where: bonds (distance) C4'-P energy: -126.153 bonds (distance) P-C4' energy: -123.207 flat angles C4'-P-C4' energy: -158.117 flat angles P-C4'-P energy: -103.569 tors. eta vs tors. theta energy: -203.149 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: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2106.763901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.763901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.763901 (E_RNA) where: Base-Base interactions energy: -1423.252 where: short stacking energy: -667.719 Base-Backbone interact. energy: -4.271 local terms energy: -679.241209 where: bonds (distance) C4'-P energy: -93.087 bonds (distance) P-C4' energy: -138.605 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -199.899 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: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1940.283587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.283587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.283587 (E_RNA) where: Base-Base interactions energy: -1293.997 where: short stacking energy: -581.225 Base-Backbone interact. energy: -2.133 local terms energy: -644.153443 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -131.075 flat angles C4'-P-C4' energy: -149.283 flat angles P-C4'-P energy: -91.260 tors. eta vs tors. theta energy: -151.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1713.232754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.232754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.232754 (E_RNA) where: Base-Base interactions energy: -1131.920 where: short stacking energy: -485.876 Base-Backbone interact. energy: 3.922 local terms energy: -585.235134 where: bonds (distance) C4'-P energy: -123.266 bonds (distance) P-C4' energy: -120.923 flat angles C4'-P-C4' energy: -136.801 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -114.851 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: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1540.515354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.515354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.515354 (E_RNA) where: Base-Base interactions energy: -1000.312 where: short stacking energy: -454.577 Base-Backbone interact. energy: -1.356 local terms energy: -538.847428 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -138.144 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -97.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1168.116707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.116707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.116707 (E_RNA) where: Base-Base interactions energy: -745.284 where: short stacking energy: -345.350 Base-Backbone interact. energy: -0.527 local terms energy: -422.305798 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -116.565 flat angles C4'-P-C4' energy: -119.959 flat angles P-C4'-P energy: -47.415 tors. eta vs tors. theta energy: -38.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1077.954664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.954664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.954664 (E_RNA) where: Base-Base interactions energy: -658.661 where: short stacking energy: -319.742 Base-Backbone interact. energy: 3.212 local terms energy: -422.505348 where: bonds (distance) C4'-P energy: -115.516 bonds (distance) P-C4' energy: -107.992 flat angles C4'-P-C4' energy: -95.637 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -46.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2669.963188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.963188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.963188 (E_RNA) where: Base-Base interactions energy: -1856.641 where: short stacking energy: -750.402 Base-Backbone interact. energy: -3.999 local terms energy: -809.323201 where: bonds (distance) C4'-P energy: -156.496 bonds (distance) P-C4' energy: -153.780 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -114.429 tors. eta vs tors. theta energy: -214.076 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: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2569.113963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.113963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.113963 (E_RNA) where: Base-Base interactions energy: -1789.470 where: short stacking energy: -756.792 Base-Backbone interact. energy: -3.570 local terms energy: -776.073610 where: bonds (distance) C4'-P energy: -148.396 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -167.075 flat angles P-C4'-P energy: -100.261 tors. eta vs tors. theta energy: -217.222 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: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2492.827298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.827298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.827298 (E_RNA) where: Base-Base interactions energy: -1757.335 where: short stacking energy: -694.286 Base-Backbone interact. energy: -0.545 local terms energy: -734.946692 where: bonds (distance) C4'-P energy: -128.407 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -157.778 flat angles P-C4'-P energy: -104.435 tors. eta vs tors. theta energy: -195.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2270.192418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.192418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.192418 (E_RNA) where: Base-Base interactions energy: -1526.977 where: short stacking energy: -668.077 Base-Backbone interact. energy: -2.542 local terms energy: -740.672702 where: bonds (distance) C4'-P energy: -123.525 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -161.013 flat angles P-C4'-P energy: -109.516 tors. eta vs tors. theta energy: -198.690 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: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2110.923028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.923028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.923028 (E_RNA) where: Base-Base interactions energy: -1418.172 where: short stacking energy: -626.423 Base-Backbone interact. energy: 3.410 local terms energy: -696.161634 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -150.400 flat angles P-C4'-P energy: -94.077 tors. eta vs tors. theta energy: -182.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1893.962988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.962988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.962988 (E_RNA) where: Base-Base interactions energy: -1256.210 where: short stacking energy: -545.073 Base-Backbone interact. energy: -2.029 local terms energy: -635.723700 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -124.375 flat angles C4'-P-C4' energy: -150.575 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -127.009 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: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1654.007994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.007994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.007994 (E_RNA) where: Base-Base interactions energy: -1092.128 where: short stacking energy: -496.171 Base-Backbone interact. energy: -0.725 local terms energy: -561.154811 where: bonds (distance) C4'-P energy: -118.245 bonds (distance) P-C4' energy: -131.607 flat angles C4'-P-C4' energy: -115.181 flat angles P-C4'-P energy: -93.547 tors. eta vs tors. theta energy: -102.575 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: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1509.601933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.601933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.601933 (E_RNA) where: Base-Base interactions energy: -957.960 where: short stacking energy: -429.533 Base-Backbone interact. energy: 2.405 local terms energy: -554.047165 where: bonds (distance) C4'-P energy: -124.077 bonds (distance) P-C4' energy: -117.661 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -103.013 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: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1212.639873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.639873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.639873 (E_RNA) where: Base-Base interactions energy: -733.229 where: short stacking energy: -339.662 Base-Backbone interact. energy: 2.433 local terms energy: -481.843718 where: bonds (distance) C4'-P energy: -124.530 bonds (distance) P-C4' energy: -121.307 flat angles C4'-P-C4' energy: -132.699 flat angles P-C4'-P energy: -63.920 tors. eta vs tors. theta energy: -39.387 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: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1056.655122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.655122 (E_RNA) where: Base-Base interactions energy: -620.865 where: short stacking energy: -309.138 Base-Backbone interact. energy: 1.971 local terms energy: -437.761098 where: bonds (distance) C4'-P energy: -100.996 bonds (distance) P-C4' energy: -94.508 flat angles C4'-P-C4' energy: -118.855 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -40.807 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: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2697.027354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.027354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.027354 (E_RNA) where: Base-Base interactions energy: -1906.090 where: short stacking energy: -764.729 Base-Backbone interact. energy: -3.583 local terms energy: -787.353696 where: bonds (distance) C4'-P energy: -146.691 bonds (distance) P-C4' energy: -154.568 flat angles C4'-P-C4' energy: -162.644 flat angles P-C4'-P energy: -111.643 tors. eta vs tors. theta energy: -211.807 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: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2573.049870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.049870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.049870 (E_RNA) where: Base-Base interactions energy: -1817.281 where: short stacking energy: -744.389 Base-Backbone interact. energy: -0.886 local terms energy: -754.883392 where: bonds (distance) C4'-P energy: -145.773 bonds (distance) P-C4' energy: -141.270 flat angles C4'-P-C4' energy: -155.526 flat angles P-C4'-P energy: -108.242 tors. eta vs tors. theta energy: -204.072 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: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2438.972282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.972282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.972282 (E_RNA) where: Base-Base interactions energy: -1710.381 where: short stacking energy: -679.769 Base-Backbone interact. energy: -2.198 local terms energy: -726.393168 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -158.133 flat angles P-C4'-P energy: -96.821 tors. eta vs tors. theta energy: -191.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2282.708846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.708846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.708846 (E_RNA) where: Base-Base interactions energy: -1562.949 where: short stacking energy: -678.623 Base-Backbone interact. energy: -3.121 local terms energy: -716.638609 where: bonds (distance) C4'-P energy: -136.431 bonds (distance) P-C4' energy: -136.156 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -92.922 tors. eta vs tors. theta energy: -198.254 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: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2090.229944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.229944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.229944 (E_RNA) where: Base-Base interactions energy: -1394.074 where: short stacking energy: -598.187 Base-Backbone interact. energy: -3.761 local terms energy: -692.394920 where: bonds (distance) C4'-P energy: -130.152 bonds (distance) P-C4' energy: -139.344 flat angles C4'-P-C4' energy: -138.541 flat angles P-C4'-P energy: -109.480 tors. eta vs tors. theta energy: -174.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1938.546594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.546594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.546594 (E_RNA) where: Base-Base interactions energy: -1329.379 where: short stacking energy: -606.872 Base-Backbone interact. energy: 2.123 local terms energy: -611.290667 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -101.885 flat angles C4'-P-C4' energy: -147.770 flat angles P-C4'-P energy: -81.574 tors. eta vs tors. theta energy: -148.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1611.112425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.112425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.112425 (E_RNA) where: Base-Base interactions energy: -997.944 where: short stacking energy: -442.077 Base-Backbone interact. energy: -3.069 local terms energy: -610.099427 where: bonds (distance) C4'-P energy: -148.147 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -138.124 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -99.231 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: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1544.870014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.870014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.870014 (E_RNA) where: Base-Base interactions energy: -1001.707 where: short stacking energy: -441.291 Base-Backbone interact. energy: 4.012 local terms energy: -547.174912 where: bonds (distance) C4'-P energy: -115.233 bonds (distance) P-C4' energy: -125.723 flat angles C4'-P-C4' energy: -136.704 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -89.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1219.863396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.863396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.863396 (E_RNA) where: Base-Base interactions energy: -740.089 where: short stacking energy: -324.747 Base-Backbone interact. energy: -0.316 local terms energy: -479.458258 where: bonds (distance) C4'-P energy: -139.299 bonds (distance) P-C4' energy: -119.462 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -61.970 tors. eta vs tors. theta energy: -41.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1027.019531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.019531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.019531 (E_RNA) where: Base-Base interactions energy: -622.807 where: short stacking energy: -287.774 Base-Backbone interact. energy: 1.912 local terms energy: -406.124206 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -130.512 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -61.823 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2693.220392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.220392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.220392 (E_RNA) where: Base-Base interactions energy: -1914.513 where: short stacking energy: -752.271 Base-Backbone interact. energy: -7.086 local terms energy: -771.622244 where: bonds (distance) C4'-P energy: -149.379 bonds (distance) P-C4' energy: -140.757 flat angles C4'-P-C4' energy: -159.661 flat angles P-C4'-P energy: -118.133 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2599.273806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.273806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.273806 (E_RNA) where: Base-Base interactions energy: -1816.394 where: short stacking energy: -777.743 Base-Backbone interact. energy: -2.721 local terms energy: -780.159200 where: bonds (distance) C4'-P energy: -140.122 bonds (distance) P-C4' energy: -142.340 flat angles C4'-P-C4' energy: -164.301 flat angles P-C4'-P energy: -118.257 tors. eta vs tors. theta energy: -215.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2464.494847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.494847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.494847 (E_RNA) where: Base-Base interactions energy: -1737.390 where: short stacking energy: -731.394 Base-Backbone interact. energy: 2.935 local terms energy: -730.039578 where: bonds (distance) C4'-P energy: -126.531 bonds (distance) P-C4' energy: -128.563 flat angles C4'-P-C4' energy: -160.632 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -215.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2320.844423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.844423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.844423 (E_RNA) where: Base-Base interactions energy: -1576.290 where: short stacking energy: -688.599 Base-Backbone interact. energy: 2.743 local terms energy: -747.297152 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -140.432 flat angles C4'-P-C4' energy: -159.649 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -206.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2119.692586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.692586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.692586 (E_RNA) where: Base-Base interactions energy: -1423.317 where: short stacking energy: -616.420 Base-Backbone interact. energy: -1.599 local terms energy: -694.776089 where: bonds (distance) C4'-P energy: -131.405 bonds (distance) P-C4' energy: -143.530 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -81.281 tors. eta vs tors. theta energy: -182.531 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: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1842.128417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.128417 (E_RNA) where: Base-Base interactions energy: -1288.230 where: short stacking energy: -529.495 Base-Backbone interact. energy: -3.145 local terms energy: -550.753417 where: bonds (distance) C4'-P energy: -119.795 bonds (distance) P-C4' energy: -128.737 flat angles C4'-P-C4' energy: -125.006 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -101.886 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1576.431247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.431247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.431247 (E_RNA) where: Base-Base interactions energy: -994.591 where: short stacking energy: -452.853 Base-Backbone interact. energy: -1.864 local terms energy: -579.977046 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -135.669 flat angles P-C4'-P energy: -83.989 tors. eta vs tors. theta energy: -93.199 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: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1558.657677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.657677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.657677 (E_RNA) where: Base-Base interactions energy: -1030.554 where: short stacking energy: -442.812 Base-Backbone interact. energy: 4.821 local terms energy: -532.924533 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -130.374 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -102.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1302.049098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.049098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.049098 (E_RNA) where: Base-Base interactions energy: -830.276 where: short stacking energy: -373.875 Base-Backbone interact. energy: 0.616 local terms energy: -472.388762 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -103.909 flat angles C4'-P-C4' energy: -102.707 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -70.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -991.640690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.640690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.640690 (E_RNA) where: Base-Base interactions energy: -613.666 where: short stacking energy: -306.242 Base-Backbone interact. energy: 11.050 local terms energy: -389.023913 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -122.185 flat angles C4'-P-C4' energy: -105.936 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -10.937 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2700.125808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.125808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.125808 (E_RNA) where: Base-Base interactions energy: -1900.110 where: short stacking energy: -758.036 Base-Backbone interact. energy: -2.265 local terms energy: -797.750058 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -162.526 flat angles C4'-P-C4' energy: -160.231 flat angles P-C4'-P energy: -122.005 tors. eta vs tors. theta energy: -197.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2610.342044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.342044 (E_RNA) where: Base-Base interactions energy: -1806.301 where: short stacking energy: -744.704 Base-Backbone interact. energy: -1.803 local terms energy: -802.237513 where: bonds (distance) C4'-P energy: -153.327 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -174.718 flat angles P-C4'-P energy: -107.804 tors. eta vs tors. theta energy: -217.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2493.295174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.295174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.295174 (E_RNA) where: Base-Base interactions energy: -1751.339 where: short stacking energy: -707.335 Base-Backbone interact. energy: -4.319 local terms energy: -737.637693 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -142.138 flat angles C4'-P-C4' energy: -168.048 flat angles P-C4'-P energy: -94.844 tors. eta vs tors. theta energy: -202.116 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: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2333.459686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.459686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.459686 (E_RNA) where: Base-Base interactions energy: -1547.626 where: short stacking energy: -682.974 Base-Backbone interact. energy: -3.438 local terms energy: -782.395290 where: bonds (distance) C4'-P energy: -148.609 bonds (distance) P-C4' energy: -132.405 flat angles C4'-P-C4' energy: -178.485 flat angles P-C4'-P energy: -112.133 tors. eta vs tors. theta energy: -210.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2098.644334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.644334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.644334 (E_RNA) where: Base-Base interactions energy: -1411.351 where: short stacking energy: -630.526 Base-Backbone interact. energy: 1.129 local terms energy: -688.422422 where: bonds (distance) C4'-P energy: -105.592 bonds (distance) P-C4' energy: -147.924 flat angles C4'-P-C4' energy: -154.377 flat angles P-C4'-P energy: -98.887 tors. eta vs tors. theta energy: -181.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1872.997878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.997878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.997878 (E_RNA) where: Base-Base interactions energy: -1276.452 where: short stacking energy: -531.914 Base-Backbone interact. energy: 0.307 local terms energy: -596.853220 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -117.425 flat angles C4'-P-C4' energy: -129.578 flat angles P-C4'-P energy: -100.398 tors. eta vs tors. theta energy: -135.019 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: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1638.200667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.200667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.200667 (E_RNA) where: Base-Base interactions energy: -1056.667 where: short stacking energy: -474.519 Base-Backbone interact. energy: -2.569 local terms energy: -578.964763 where: bonds (distance) C4'-P energy: -120.484 bonds (distance) P-C4' energy: -122.779 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -90.174 tors. eta vs tors. theta energy: -101.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1502.680427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.680427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.680427 (E_RNA) where: Base-Base interactions energy: -971.525 where: short stacking energy: -420.891 Base-Backbone interact. energy: -1.595 local terms energy: -529.560234 where: bonds (distance) C4'-P energy: -115.661 bonds (distance) P-C4' energy: -137.400 flat angles C4'-P-C4' energy: -114.197 flat angles P-C4'-P energy: -84.563 tors. eta vs tors. theta energy: -77.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1341.479123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.479123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.479123 (E_RNA) where: Base-Base interactions energy: -817.086 where: short stacking energy: -348.798 Base-Backbone interact. energy: 4.508 local terms energy: -528.901053 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -129.363 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -66.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -973.603961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.603961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.603961 (E_RNA) where: Base-Base interactions energy: -539.492 where: short stacking energy: -262.865 Base-Backbone interact. energy: -0.533 local terms energy: -433.578877 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -19.036 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: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2673.446019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.446019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.446019 (E_RNA) where: Base-Base interactions energy: -1874.227 where: short stacking energy: -775.120 Base-Backbone interact. energy: -3.534 local terms energy: -795.684879 where: bonds (distance) C4'-P energy: -144.975 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -177.596 flat angles P-C4'-P energy: -129.642 tors. eta vs tors. theta energy: -201.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2636.600888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.600888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.600888 (E_RNA) where: Base-Base interactions energy: -1841.851 where: short stacking energy: -786.341 Base-Backbone interact. energy: 0.657 local terms energy: -795.406405 where: bonds (distance) C4'-P energy: -157.233 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -160.391 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -227.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2511.493383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.493383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.493383 (E_RNA) where: Base-Base interactions energy: -1768.379 where: short stacking energy: -704.098 Base-Backbone interact. energy: -1.395 local terms energy: -741.719304 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -164.053 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -206.359 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: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2317.459745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.459745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.459745 (E_RNA) where: Base-Base interactions energy: -1579.405 where: short stacking energy: -718.405 Base-Backbone interact. energy: -2.333 local terms energy: -735.721750 where: bonds (distance) C4'-P energy: -141.827 bonds (distance) P-C4' energy: -137.331 flat angles C4'-P-C4' energy: -160.705 flat angles P-C4'-P energy: -93.853 tors. eta vs tors. theta energy: -202.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2127.251995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.251995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.251995 (E_RNA) where: Base-Base interactions energy: -1431.686 where: short stacking energy: -615.247 Base-Backbone interact. energy: -0.415 local terms energy: -695.150548 where: bonds (distance) C4'-P energy: -131.983 bonds (distance) P-C4' energy: -131.621 flat angles C4'-P-C4' energy: -153.081 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -179.709 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: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1920.339775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.339775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.339775 (E_RNA) where: Base-Base interactions energy: -1297.214 where: short stacking energy: -546.445 Base-Backbone interact. energy: 0.444 local terms energy: -623.569281 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -140.667 flat angles C4'-P-C4' energy: -125.253 flat angles P-C4'-P energy: -94.008 tors. eta vs tors. theta energy: -135.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1569.802312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.802312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.802312 (E_RNA) where: Base-Base interactions energy: -978.248 where: short stacking energy: -424.529 Base-Backbone interact. energy: -2.405 local terms energy: -589.148760 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -142.189 flat angles C4'-P-C4' energy: -136.570 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -86.052 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: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1570.743614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.743614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.743614 (E_RNA) where: Base-Base interactions energy: -1036.200 where: short stacking energy: -471.977 Base-Backbone interact. energy: 4.633 local terms energy: -539.176911 where: bonds (distance) C4'-P energy: -117.256 bonds (distance) P-C4' energy: -111.117 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -116.257 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: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1278.039416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.039416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.039416 (E_RNA) where: Base-Base interactions energy: -767.741 where: short stacking energy: -345.249 Base-Backbone interact. energy: -1.375 local terms energy: -508.922596 where: bonds (distance) C4'-P energy: -120.080 bonds (distance) P-C4' energy: -135.439 flat angles C4'-P-C4' energy: -122.308 flat angles P-C4'-P energy: -72.714 tors. eta vs tors. theta energy: -58.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1015.073193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.073193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.073193 (E_RNA) where: Base-Base interactions energy: -555.858 where: short stacking energy: -281.174 Base-Backbone interact. energy: 3.663 local terms energy: -462.877742 where: bonds (distance) C4'-P energy: -113.292 bonds (distance) P-C4' energy: -135.547 flat angles C4'-P-C4' energy: -110.741 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -31.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2662.731056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.731056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.731056 (E_RNA) where: Base-Base interactions energy: -1858.309 where: short stacking energy: -759.748 Base-Backbone interact. energy: -3.980 local terms energy: -800.442232 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -151.588 flat angles C4'-P-C4' energy: -154.578 flat angles P-C4'-P energy: -124.136 tors. eta vs tors. theta energy: -211.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2635.688743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.688743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.688743 (E_RNA) where: Base-Base interactions energy: -1851.767 where: short stacking energy: -790.220 Base-Backbone interact. energy: -0.911 local terms energy: -783.010616 where: bonds (distance) C4'-P energy: -146.217 bonds (distance) P-C4' energy: -141.729 flat angles C4'-P-C4' energy: -169.697 flat angles P-C4'-P energy: -94.116 tors. eta vs tors. theta energy: -231.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2398.376676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.376676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.376676 (E_RNA) where: Base-Base interactions energy: -1658.836 where: short stacking energy: -681.563 Base-Backbone interact. energy: -2.251 local terms energy: -737.288905 where: bonds (distance) C4'-P energy: -129.209 bonds (distance) P-C4' energy: -141.659 flat angles C4'-P-C4' energy: -164.120 flat angles P-C4'-P energy: -106.437 tors. eta vs tors. theta energy: -195.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2351.276845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.276845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.276845 (E_RNA) where: Base-Base interactions energy: -1597.440 where: short stacking energy: -710.408 Base-Backbone interact. energy: -4.445 local terms energy: -749.391983 where: bonds (distance) C4'-P energy: -141.327 bonds (distance) P-C4' energy: -134.720 flat angles C4'-P-C4' energy: -168.022 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -214.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2111.957333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.957333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.957333 (E_RNA) where: Base-Base interactions energy: -1404.061 where: short stacking energy: -620.405 Base-Backbone interact. energy: -3.582 local terms energy: -704.314262 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -145.677 flat angles C4'-P-C4' energy: -161.526 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -161.127 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: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2007.395593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.395593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.395593 (E_RNA) where: Base-Base interactions energy: -1341.442 where: short stacking energy: -586.377 Base-Backbone interact. energy: -1.700 local terms energy: -664.253835 where: bonds (distance) C4'-P energy: -131.699 bonds (distance) P-C4' energy: -134.507 flat angles C4'-P-C4' energy: -139.338 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -157.430 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: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1642.153770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.153770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.153770 (E_RNA) where: Base-Base interactions energy: -1075.716 where: short stacking energy: -470.781 Base-Backbone interact. energy: 2.005 local terms energy: -568.442247 where: bonds (distance) C4'-P energy: -105.105 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -138.352 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -96.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1515.081212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.081212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.081212 (E_RNA) where: Base-Base interactions energy: -965.278 where: short stacking energy: -449.394 Base-Backbone interact. energy: 0.969 local terms energy: -550.772308 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -133.931 flat angles P-C4'-P energy: -79.046 tors. eta vs tors. theta energy: -101.727 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1316.709769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.709769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.709769 (E_RNA) where: Base-Base interactions energy: -838.957 where: short stacking energy: -389.700 Base-Backbone interact. energy: 0.363 local terms energy: -478.115860 where: bonds (distance) C4'-P energy: -90.177 bonds (distance) P-C4' energy: -108.939 flat angles C4'-P-C4' energy: -124.551 flat angles P-C4'-P energy: -84.942 tors. eta vs tors. theta energy: -69.507 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: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -981.070615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.070615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.070615 (E_RNA) where: Base-Base interactions energy: -567.395 where: short stacking energy: -284.530 Base-Backbone interact. energy: 6.859 local terms energy: -420.535334 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -126.822 flat angles C4'-P-C4' energy: -114.297 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -20.799 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: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2702.076356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.076356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.076356 (E_RNA) where: Base-Base interactions energy: -1909.370 where: short stacking energy: -780.834 Base-Backbone interact. energy: -1.054 local terms energy: -791.652448 where: bonds (distance) C4'-P energy: -140.127 bonds (distance) P-C4' energy: -150.190 flat angles C4'-P-C4' energy: -173.002 flat angles P-C4'-P energy: -119.575 tors. eta vs tors. theta energy: -208.759 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: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2657.181207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.181207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.181207 (E_RNA) where: Base-Base interactions energy: -1847.803 where: short stacking energy: -786.595 Base-Backbone interact. energy: -1.353 local terms energy: -808.025419 where: bonds (distance) C4'-P energy: -131.476 bonds (distance) P-C4' energy: -148.589 flat angles C4'-P-C4' energy: -168.555 flat angles P-C4'-P energy: -123.830 tors. eta vs tors. theta energy: -235.576 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: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2431.526001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.526001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.526001 (E_RNA) where: Base-Base interactions energy: -1684.318 where: short stacking energy: -693.616 Base-Backbone interact. energy: 0.721 local terms energy: -747.929131 where: bonds (distance) C4'-P energy: -135.398 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -113.386 tors. eta vs tors. theta energy: -209.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2329.496709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.496709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.496709 (E_RNA) where: Base-Base interactions energy: -1591.934 where: short stacking energy: -705.495 Base-Backbone interact. energy: -2.593 local terms energy: -734.970009 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -134.423 flat angles C4'-P-C4' energy: -155.926 flat angles P-C4'-P energy: -99.428 tors. eta vs tors. theta energy: -211.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2131.406859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.406859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.406859 (E_RNA) where: Base-Base interactions energy: -1426.569 where: short stacking energy: -624.635 Base-Backbone interact. energy: -1.685 local terms energy: -703.152838 where: bonds (distance) C4'-P energy: -131.668 bonds (distance) P-C4' energy: -132.521 flat angles C4'-P-C4' energy: -150.741 flat angles P-C4'-P energy: -100.759 tors. eta vs tors. theta energy: -187.463 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: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2009.375103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.375103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.375103 (E_RNA) where: Base-Base interactions energy: -1363.974 where: short stacking energy: -574.350 Base-Backbone interact. energy: -0.663 local terms energy: -644.738056 where: bonds (distance) C4'-P energy: -124.432 bonds (distance) P-C4' energy: -129.003 flat angles C4'-P-C4' energy: -146.508 flat angles P-C4'-P energy: -75.462 tors. eta vs tors. theta energy: -169.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1691.282092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.282092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.282092 (E_RNA) where: Base-Base interactions energy: -1097.549 where: short stacking energy: -456.627 Base-Backbone interact. energy: -1.049 local terms energy: -592.684082 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -122.017 flat angles C4'-P-C4' energy: -138.089 flat angles P-C4'-P energy: -95.840 tors. eta vs tors. theta energy: -112.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1492.180545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.180545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.180545 (E_RNA) where: Base-Base interactions energy: -968.864 where: short stacking energy: -410.845 Base-Backbone interact. energy: 3.248 local terms energy: -526.564777 where: bonds (distance) C4'-P energy: -110.843 bonds (distance) P-C4' energy: -124.831 flat angles C4'-P-C4' energy: -135.413 flat angles P-C4'-P energy: -68.292 tors. eta vs tors. theta energy: -87.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1287.186630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.186630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.186630 (E_RNA) where: Base-Base interactions energy: -786.010 where: short stacking energy: -348.032 Base-Backbone interact. energy: 0.970 local terms energy: -502.146811 where: bonds (distance) C4'-P energy: -117.527 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -109.744 flat angles P-C4'-P energy: -76.638 tors. eta vs tors. theta energy: -67.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1002.470143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.470143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.470143 (E_RNA) where: Base-Base interactions energy: -576.348 where: short stacking energy: -259.055 Base-Backbone interact. energy: -0.915 local terms energy: -425.206716 where: bonds (distance) C4'-P energy: -120.109 bonds (distance) P-C4' energy: -123.969 flat angles C4'-P-C4' energy: -95.600 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -11.790 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: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2704.155790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.155790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.155790 (E_RNA) where: Base-Base interactions energy: -1902.999 where: short stacking energy: -774.511 Base-Backbone interact. energy: 1.690 local terms energy: -802.846965 where: bonds (distance) C4'-P energy: -151.547 bonds (distance) P-C4' energy: -160.232 flat angles C4'-P-C4' energy: -180.412 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -208.351 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: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2637.586361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.586361 (E_RNA) where: Base-Base interactions energy: -1811.766 where: short stacking energy: -759.520 Base-Backbone interact. energy: -4.016 local terms energy: -821.803665 where: bonds (distance) C4'-P energy: -151.403 bonds (distance) P-C4' energy: -154.960 flat angles C4'-P-C4' energy: -171.518 flat angles P-C4'-P energy: -121.217 tors. eta vs tors. theta energy: -222.706 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: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2424.456880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.456880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.456880 (E_RNA) where: Base-Base interactions energy: -1689.971 where: short stacking energy: -692.575 Base-Backbone interact. energy: -0.953 local terms energy: -733.532439 where: bonds (distance) C4'-P energy: -142.337 bonds (distance) P-C4' energy: -148.543 flat angles C4'-P-C4' energy: -152.813 flat angles P-C4'-P energy: -97.518 tors. eta vs tors. theta energy: -192.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2325.422471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.422471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.422471 (E_RNA) where: Base-Base interactions energy: -1611.829 where: short stacking energy: -694.037 Base-Backbone interact. energy: -1.214 local terms energy: -712.379438 where: bonds (distance) C4'-P energy: -124.174 bonds (distance) P-C4' energy: -138.253 flat angles C4'-P-C4' energy: -160.178 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -196.173 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: 291 Temperature: 1.100000 Total energy: -2098.084137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.084137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.084137 (E_RNA) where: Base-Base interactions energy: -1405.249 where: short stacking energy: -627.967 Base-Backbone interact. energy: -0.330 local terms energy: -692.504979 where: bonds (distance) C4'-P energy: -130.547 bonds (distance) P-C4' energy: -135.476 flat angles C4'-P-C4' energy: -139.707 flat angles P-C4'-P energy: -105.579 tors. eta vs tors. theta energy: -181.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2007.734152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.734152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.734152 (E_RNA) where: Base-Base interactions energy: -1362.751 where: short stacking energy: -574.027 Base-Backbone interact. energy: 2.848 local terms energy: -647.830944 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -149.384 flat angles P-C4'-P energy: -93.962 tors. eta vs tors. theta energy: -153.756 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: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1686.797226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.797226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.797226 (E_RNA) where: Base-Base interactions energy: -1108.190 where: short stacking energy: -518.486 Base-Backbone interact. energy: 4.428 local terms energy: -583.035223 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -126.945 flat angles C4'-P-C4' energy: -145.349 flat angles P-C4'-P energy: -73.020 tors. eta vs tors. theta energy: -130.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1510.931190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.931190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.931190 (E_RNA) where: Base-Base interactions energy: -998.804 where: short stacking energy: -458.401 Base-Backbone interact. energy: 2.018 local terms energy: -514.144975 where: bonds (distance) C4'-P energy: -103.787 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -131.399 flat angles P-C4'-P energy: -75.691 tors. eta vs tors. theta energy: -78.072 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: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1290.162891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.162891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.162891 (E_RNA) where: Base-Base interactions energy: -774.496 where: short stacking energy: -363.071 Base-Backbone interact. energy: -1.363 local terms energy: -514.303913 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -127.783 flat angles C4'-P-C4' energy: -127.318 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: -66.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1026.129523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.129523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.129523 (E_RNA) where: Base-Base interactions energy: -570.971 where: short stacking energy: -278.663 Base-Backbone interact. energy: 3.857 local terms energy: -459.015774 where: bonds (distance) C4'-P energy: -122.514 bonds (distance) P-C4' energy: -130.873 flat angles C4'-P-C4' energy: -128.940 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -9.140 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: 292 Temperature: 0.900000 Total energy: -2663.184540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.184540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.184540 (E_RNA) where: Base-Base interactions energy: -1846.768 where: short stacking energy: -745.432 Base-Backbone interact. energy: -5.941 local terms energy: -810.475834 where: bonds (distance) C4'-P energy: -147.922 bonds (distance) P-C4' energy: -143.890 flat angles C4'-P-C4' energy: -181.748 flat angles P-C4'-P energy: -119.760 tors. eta vs tors. theta energy: -217.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2617.909186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.909186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.909186 (E_RNA) where: Base-Base interactions energy: -1819.826 where: short stacking energy: -786.617 Base-Backbone interact. energy: -2.681 local terms energy: -795.402270 where: bonds (distance) C4'-P energy: -148.986 bonds (distance) P-C4' energy: -136.041 flat angles C4'-P-C4' energy: -168.989 flat angles P-C4'-P energy: -105.406 tors. eta vs tors. theta energy: -235.980 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: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2471.127355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.127355 (E_RNA) where: Base-Base interactions energy: -1749.706 where: short stacking energy: -694.671 Base-Backbone interact. energy: 0.572 local terms energy: -721.994032 where: bonds (distance) C4'-P energy: -118.132 bonds (distance) P-C4' energy: -137.383 flat angles C4'-P-C4' energy: -178.709 flat angles P-C4'-P energy: -98.985 tors. eta vs tors. theta energy: -188.785 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: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2343.811966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.811966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.811966 (E_RNA) where: Base-Base interactions energy: -1618.131 where: short stacking energy: -690.555 Base-Backbone interact. energy: -1.029 local terms energy: -724.652277 where: bonds (distance) C4'-P energy: -136.615 bonds (distance) P-C4' energy: -152.582 flat angles C4'-P-C4' energy: -143.205 flat angles P-C4'-P energy: -95.694 tors. eta vs tors. theta energy: -196.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2121.611426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.611426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.611426 (E_RNA) where: Base-Base interactions energy: -1415.388 where: short stacking energy: -625.840 Base-Backbone interact. energy: -3.285 local terms energy: -702.938538 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -145.437 flat angles C4'-P-C4' energy: -154.643 flat angles P-C4'-P energy: -94.085 tors. eta vs tors. theta energy: -188.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1969.582467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.582467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.582467 (E_RNA) where: Base-Base interactions energy: -1342.404 where: short stacking energy: -576.760 Base-Backbone interact. energy: -0.869 local terms energy: -626.309680 where: bonds (distance) C4'-P energy: -132.811 bonds (distance) P-C4' energy: -133.720 flat angles C4'-P-C4' energy: -131.093 flat angles P-C4'-P energy: -79.126 tors. eta vs tors. theta energy: -149.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1709.026460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.026460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.026460 (E_RNA) where: Base-Base interactions energy: -1116.824 where: short stacking energy: -500.904 Base-Backbone interact. energy: -1.601 local terms energy: -590.601658 where: bonds (distance) C4'-P energy: -114.930 bonds (distance) P-C4' energy: -142.475 flat angles C4'-P-C4' energy: -145.659 flat angles P-C4'-P energy: -64.840 tors. eta vs tors. theta energy: -122.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1483.637844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.637844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.637844 (E_RNA) where: Base-Base interactions energy: -924.447 where: short stacking energy: -439.422 Base-Backbone interact. energy: -1.219 local terms energy: -557.971899 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -138.903 flat angles C4'-P-C4' energy: -137.831 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -77.045 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: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1314.968524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.968524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.968524 (E_RNA) where: Base-Base interactions energy: -817.519 where: short stacking energy: -372.534 Base-Backbone interact. energy: 3.331 local terms energy: -500.780526 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -134.665 flat angles P-C4'-P energy: -58.908 tors. eta vs tors. theta energy: -71.095 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: 292 Temperature: 1.350000 Total energy: -1054.189668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.189668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.189668 (E_RNA) where: Base-Base interactions energy: -607.494 where: short stacking energy: -295.622 Base-Backbone interact. energy: -1.704 local terms energy: -444.991835 where: bonds (distance) C4'-P energy: -109.800 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -57.486 tors. eta vs tors. theta energy: -42.243 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: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2677.976826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.976826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.976826 (E_RNA) where: Base-Base interactions energy: -1892.312 where: short stacking energy: -791.433 Base-Backbone interact. energy: -1.596 local terms energy: -784.068396 where: bonds (distance) C4'-P energy: -141.553 bonds (distance) P-C4' energy: -147.517 flat angles C4'-P-C4' energy: -167.856 flat angles P-C4'-P energy: -118.234 tors. eta vs tors. theta energy: -208.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2646.190438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.190438 (E_RNA) where: Base-Base interactions energy: -1831.239 where: short stacking energy: -772.249 Base-Backbone interact. energy: -2.542 local terms energy: -812.409919 where: bonds (distance) C4'-P energy: -143.639 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -167.262 flat angles P-C4'-P energy: -135.392 tors. eta vs tors. theta energy: -230.532 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: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2443.190245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.190245 (E_RNA) where: Base-Base interactions energy: -1687.247 where: short stacking energy: -694.503 Base-Backbone interact. energy: -1.329 local terms energy: -754.614163 where: bonds (distance) C4'-P energy: -152.370 bonds (distance) P-C4' energy: -140.284 flat angles C4'-P-C4' energy: -156.690 flat angles P-C4'-P energy: -115.234 tors. eta vs tors. theta energy: -190.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2355.761285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.761285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.761285 (E_RNA) where: Base-Base interactions energy: -1618.050 where: short stacking energy: -726.697 Base-Backbone interact. energy: -2.908 local terms energy: -734.802954 where: bonds (distance) C4'-P energy: -120.338 bonds (distance) P-C4' energy: -152.885 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -202.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2139.553656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.553656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.553656 (E_RNA) where: Base-Base interactions energy: -1450.291 where: short stacking energy: -651.165 Base-Backbone interact. energy: -0.787 local terms energy: -688.475757 where: bonds (distance) C4'-P energy: -113.665 bonds (distance) P-C4' energy: -147.542 flat angles C4'-P-C4' energy: -151.080 flat angles P-C4'-P energy: -93.549 tors. eta vs tors. theta energy: -182.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1996.768395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.768395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.768395 (E_RNA) where: Base-Base interactions energy: -1344.381 where: short stacking energy: -582.879 Base-Backbone interact. energy: 2.020 local terms energy: -654.407216 where: bonds (distance) C4'-P energy: -135.577 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -93.639 tors. eta vs tors. theta energy: -161.565 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: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1599.066507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.066507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.066507 (E_RNA) where: Base-Base interactions energy: -1050.293 where: short stacking energy: -474.772 Base-Backbone interact. energy: -4.173 local terms energy: -544.600284 where: bonds (distance) C4'-P energy: -116.622 bonds (distance) P-C4' energy: -119.560 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -92.271 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: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1439.035126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.035126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.035126 (E_RNA) where: Base-Base interactions energy: -911.024 where: short stacking energy: -426.181 Base-Backbone interact. energy: -1.381 local terms energy: -526.630086 where: bonds (distance) C4'-P energy: -123.283 bonds (distance) P-C4' energy: -130.076 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -81.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1360.539338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.539338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.539338 (E_RNA) where: Base-Base interactions energy: -857.177 where: short stacking energy: -390.276 Base-Backbone interact. energy: -0.697 local terms energy: -502.664957 where: bonds (distance) C4'-P energy: -111.017 bonds (distance) P-C4' energy: -124.488 flat angles C4'-P-C4' energy: -136.594 flat angles P-C4'-P energy: -73.250 tors. eta vs tors. theta energy: -57.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1124.884034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.884034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.884034 (E_RNA) where: Base-Base interactions energy: -668.370 where: short stacking energy: -347.301 Base-Backbone interact. energy: 1.108 local terms energy: -457.622397 where: bonds (distance) C4'-P energy: -95.791 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -99.811 flat angles P-C4'-P energy: -71.147 tors. eta vs tors. theta energy: -45.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2737.178603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.178603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.178603 (E_RNA) where: Base-Base interactions energy: -1908.226 where: short stacking energy: -781.890 Base-Backbone interact. energy: -7.963 local terms energy: -820.989725 where: bonds (distance) C4'-P energy: -151.197 bonds (distance) P-C4' energy: -154.289 flat angles C4'-P-C4' energy: -177.246 flat angles P-C4'-P energy: -128.298 tors. eta vs tors. theta energy: -209.960 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: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2646.851042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.851042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.851042 (E_RNA) where: Base-Base interactions energy: -1847.932 where: short stacking energy: -806.273 Base-Backbone interact. energy: -2.327 local terms energy: -796.592416 where: bonds (distance) C4'-P energy: -143.823 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -162.031 flat angles P-C4'-P energy: -115.448 tors. eta vs tors. theta energy: -234.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2439.942760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.942760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.942760 (E_RNA) where: Base-Base interactions energy: -1705.297 where: short stacking energy: -694.718 Base-Backbone interact. energy: -1.207 local terms energy: -733.438866 where: bonds (distance) C4'-P energy: -134.451 bonds (distance) P-C4' energy: -138.491 flat angles C4'-P-C4' energy: -151.700 flat angles P-C4'-P energy: -107.970 tors. eta vs tors. theta energy: -200.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2271.854099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.854099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.854099 (E_RNA) where: Base-Base interactions energy: -1566.394 where: short stacking energy: -683.271 Base-Backbone interact. energy: -0.098 local terms energy: -705.361665 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -131.535 flat angles C4'-P-C4' energy: -160.607 flat angles P-C4'-P energy: -98.533 tors. eta vs tors. theta energy: -197.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2154.986896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.986896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.986896 (E_RNA) where: Base-Base interactions energy: -1433.141 where: short stacking energy: -625.842 Base-Backbone interact. energy: -2.969 local terms energy: -718.877199 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -139.175 flat angles C4'-P-C4' energy: -158.968 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -190.010 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: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2008.904005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.904005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.904005 (E_RNA) where: Base-Base interactions energy: -1356.949 where: short stacking energy: -592.235 Base-Backbone interact. energy: -4.557 local terms energy: -647.397722 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -117.184 flat angles C4'-P-C4' energy: -136.156 flat angles P-C4'-P energy: -103.127 tors. eta vs tors. theta energy: -159.507 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: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1641.834168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.834168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.834168 (E_RNA) where: Base-Base interactions energy: -1077.666 where: short stacking energy: -481.920 Base-Backbone interact. energy: 2.917 local terms energy: -567.084933 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -87.081 tors. eta vs tors. theta energy: -107.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1562.701775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.701775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.701775 (E_RNA) where: Base-Base interactions energy: -1002.498 where: short stacking energy: -453.737 Base-Backbone interact. energy: -1.207 local terms energy: -558.996652 where: bonds (distance) C4'-P energy: -114.887 bonds (distance) P-C4' energy: -129.061 flat angles C4'-P-C4' energy: -129.759 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -102.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1294.776034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.776034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.776034 (E_RNA) where: Base-Base interactions energy: -828.781 where: short stacking energy: -356.371 Base-Backbone interact. energy: -2.671 local terms energy: -463.323647 where: bonds (distance) C4'-P energy: -94.717 bonds (distance) P-C4' energy: -139.939 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -60.674 tors. eta vs tors. theta energy: -54.270 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: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -966.624923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.624923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.624923 (E_RNA) where: Base-Base interactions energy: -548.058 where: short stacking energy: -274.099 Base-Backbone interact. energy: 4.756 local terms energy: -423.322863 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -130.195 flat angles C4'-P-C4' energy: -124.557 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2712.053109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.053109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.053109 (E_RNA) where: Base-Base interactions energy: -1911.193 where: short stacking energy: -770.745 Base-Backbone interact. energy: -3.709 local terms energy: -797.151038 where: bonds (distance) C4'-P energy: -142.369 bonds (distance) P-C4' energy: -134.601 flat angles C4'-P-C4' energy: -182.717 flat angles P-C4'-P energy: -124.071 tors. eta vs tors. theta energy: -213.394 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: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2657.180089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.180089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.180089 (E_RNA) where: Base-Base interactions energy: -1822.318 where: short stacking energy: -775.967 Base-Backbone interact. energy: 1.520 local terms energy: -836.382590 where: bonds (distance) C4'-P energy: -161.131 bonds (distance) P-C4' energy: -139.861 flat angles C4'-P-C4' energy: -176.281 flat angles P-C4'-P energy: -123.361 tors. eta vs tors. theta energy: -235.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2452.821983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.821983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.821983 (E_RNA) where: Base-Base interactions energy: -1695.330 where: short stacking energy: -696.632 Base-Backbone interact. energy: -2.081 local terms energy: -755.410464 where: bonds (distance) C4'-P energy: -159.285 bonds (distance) P-C4' energy: -139.715 flat angles C4'-P-C4' energy: -157.501 flat angles P-C4'-P energy: -94.913 tors. eta vs tors. theta energy: -203.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2260.702343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.702343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.702343 (E_RNA) where: Base-Base interactions energy: -1536.292 where: short stacking energy: -662.978 Base-Backbone interact. energy: -1.851 local terms energy: -722.559198 where: bonds (distance) C4'-P energy: -142.483 bonds (distance) P-C4' energy: -139.341 flat angles C4'-P-C4' energy: -149.910 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -189.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2143.753579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.753579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.753579 (E_RNA) where: Base-Base interactions energy: -1450.144 where: short stacking energy: -648.781 Base-Backbone interact. energy: -1.571 local terms energy: -692.038797 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -133.554 flat angles C4'-P-C4' energy: -151.088 flat angles P-C4'-P energy: -95.401 tors. eta vs tors. theta energy: -192.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1988.883286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.883286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.883286 (E_RNA) where: Base-Base interactions energy: -1385.117 where: short stacking energy: -569.824 Base-Backbone interact. energy: -2.736 local terms energy: -601.030838 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -148.174 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -140.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1700.651069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.651069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.651069 (E_RNA) where: Base-Base interactions energy: -1114.542 where: short stacking energy: -506.956 Base-Backbone interact. energy: -1.312 local terms energy: -584.797441 where: bonds (distance) C4'-P energy: -120.497 bonds (distance) P-C4' energy: -138.096 flat angles C4'-P-C4' energy: -140.125 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -121.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1450.728426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.728426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.728426 (E_RNA) where: Base-Base interactions energy: -925.549 where: short stacking energy: -393.536 Base-Backbone interact. energy: -1.026 local terms energy: -524.153953 where: bonds (distance) C4'-P energy: -101.219 bonds (distance) P-C4' energy: -125.170 flat angles C4'-P-C4' energy: -136.104 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -82.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1263.925712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.925712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.925712 (E_RNA) where: Base-Base interactions energy: -783.867 where: short stacking energy: -341.905 Base-Backbone interact. energy: 0.688 local terms energy: -480.747450 where: bonds (distance) C4'-P energy: -119.843 bonds (distance) P-C4' energy: -128.983 flat angles C4'-P-C4' energy: -115.977 flat angles P-C4'-P energy: -57.374 tors. eta vs tors. theta energy: -58.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1041.445901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.445901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.445901 (E_RNA) where: Base-Base interactions energy: -596.423 where: short stacking energy: -298.674 Base-Backbone interact. energy: 10.236 local terms energy: -455.259706 where: bonds (distance) C4'-P energy: -113.006 bonds (distance) P-C4' energy: -99.765 flat angles C4'-P-C4' energy: -116.718 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -53.345 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: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2704.136594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.136594 (E_RNA) where: Base-Base interactions energy: -1907.617 where: short stacking energy: -767.745 Base-Backbone interact. energy: -0.969 local terms energy: -795.550551 where: bonds (distance) C4'-P energy: -135.421 bonds (distance) P-C4' energy: -146.358 flat angles C4'-P-C4' energy: -181.306 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -212.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2662.995184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.995184 (E_RNA) where: Base-Base interactions energy: -1838.005 where: short stacking energy: -793.208 Base-Backbone interact. energy: -0.225 local terms energy: -824.765165 where: bonds (distance) C4'-P energy: -141.225 bonds (distance) P-C4' energy: -165.195 flat angles C4'-P-C4' energy: -183.209 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -220.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2466.060338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.060338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.060338 (E_RNA) where: Base-Base interactions energy: -1701.145 where: short stacking energy: -702.982 Base-Backbone interact. energy: -3.115 local terms energy: -761.799398 where: bonds (distance) C4'-P energy: -140.833 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -157.941 flat angles P-C4'-P energy: -107.227 tors. eta vs tors. theta energy: -208.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2298.993815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.993815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.993815 (E_RNA) where: Base-Base interactions energy: -1579.254 where: short stacking energy: -695.793 Base-Backbone interact. energy: -2.855 local terms energy: -716.884915 where: bonds (distance) C4'-P energy: -122.345 bonds (distance) P-C4' energy: -133.911 flat angles C4'-P-C4' energy: -152.320 flat angles P-C4'-P energy: -106.637 tors. eta vs tors. theta energy: -201.671 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2142.716954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.716954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.716954 (E_RNA) where: Base-Base interactions energy: -1450.670 where: short stacking energy: -640.785 Base-Backbone interact. energy: -5.450 local terms energy: -686.596428 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -123.238 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -84.907 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: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2045.509708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.509708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.509708 (E_RNA) where: Base-Base interactions energy: -1409.489 where: short stacking energy: -616.743 Base-Backbone interact. energy: -3.535 local terms energy: -632.485593 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -113.762 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -97.900 tors. eta vs tors. theta energy: -166.432 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1669.657394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.657394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.657394 (E_RNA) where: Base-Base interactions energy: -1097.008 where: short stacking energy: -472.230 Base-Backbone interact. energy: 2.639 local terms energy: -575.288551 where: bonds (distance) C4'-P energy: -130.301 bonds (distance) P-C4' energy: -126.754 flat angles C4'-P-C4' energy: -139.550 flat angles P-C4'-P energy: -90.403 tors. eta vs tors. theta energy: -88.281 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: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1410.228830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.228830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.228830 (E_RNA) where: Base-Base interactions energy: -860.800 where: short stacking energy: -412.920 Base-Backbone interact. energy: 2.578 local terms energy: -552.006900 where: bonds (distance) C4'-P energy: -128.596 bonds (distance) P-C4' energy: -119.077 flat angles C4'-P-C4' energy: -126.433 flat angles P-C4'-P energy: -82.076 tors. eta vs tors. theta energy: -95.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1254.565012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.565012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.565012 (E_RNA) where: Base-Base interactions energy: -796.789 where: short stacking energy: -358.189 Base-Backbone interact. energy: -1.702 local terms energy: -456.074421 where: bonds (distance) C4'-P energy: -116.542 bonds (distance) P-C4' energy: -121.479 flat angles C4'-P-C4' energy: -113.968 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -35.716 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: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1015.543635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.543635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.543635 (E_RNA) where: Base-Base interactions energy: -602.169 where: short stacking energy: -315.581 Base-Backbone interact. energy: 0.152 local terms energy: -413.526232 where: bonds (distance) C4'-P energy: -117.669 bonds (distance) P-C4' energy: -127.781 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2700.400795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.400795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.400795 (E_RNA) where: Base-Base interactions energy: -1887.863 where: short stacking energy: -764.773 Base-Backbone interact. energy: -3.665 local terms energy: -808.872738 where: bonds (distance) C4'-P energy: -163.941 bonds (distance) P-C4' energy: -147.946 flat angles C4'-P-C4' energy: -170.992 flat angles P-C4'-P energy: -112.266 tors. eta vs tors. theta energy: -213.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2653.775932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.775932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.775932 (E_RNA) where: Base-Base interactions energy: -1833.826 where: short stacking energy: -759.556 Base-Backbone interact. energy: -4.910 local terms energy: -815.040231 where: bonds (distance) C4'-P energy: -147.515 bonds (distance) P-C4' energy: -149.370 flat angles C4'-P-C4' energy: -168.670 flat angles P-C4'-P energy: -125.207 tors. eta vs tors. theta energy: -224.279 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: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2461.018101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.018101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.018101 (E_RNA) where: Base-Base interactions energy: -1674.296 where: short stacking energy: -720.189 Base-Backbone interact. energy: -3.270 local terms energy: -783.451982 where: bonds (distance) C4'-P energy: -158.145 bonds (distance) P-C4' energy: -159.074 flat angles C4'-P-C4' energy: -156.348 flat angles P-C4'-P energy: -110.723 tors. eta vs tors. theta energy: -199.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2336.614397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.614397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.614397 (E_RNA) where: Base-Base interactions energy: -1591.321 where: short stacking energy: -712.751 Base-Backbone interact. energy: -2.126 local terms energy: -743.166786 where: bonds (distance) C4'-P energy: -133.475 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -152.383 flat angles P-C4'-P energy: -101.699 tors. eta vs tors. theta energy: -216.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2106.716517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.716517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.716517 (E_RNA) where: Base-Base interactions energy: -1434.026 where: short stacking energy: -634.638 Base-Backbone interact. energy: -0.421 local terms energy: -672.269172 where: bonds (distance) C4'-P energy: -130.793 bonds (distance) P-C4' energy: -126.522 flat angles C4'-P-C4' energy: -144.761 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -180.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2043.727532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.727532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.727532 (E_RNA) where: Base-Base interactions energy: -1401.447 where: short stacking energy: -600.956 Base-Backbone interact. energy: -1.165 local terms energy: -641.115534 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -119.854 flat angles C4'-P-C4' energy: -145.467 flat angles P-C4'-P energy: -77.543 tors. eta vs tors. theta energy: -169.665 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: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1592.340097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.340097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.340097 (E_RNA) where: Base-Base interactions energy: -1013.843 where: short stacking energy: -467.454 Base-Backbone interact. energy: -3.116 local terms energy: -575.381218 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -121.259 flat angles C4'-P-C4' energy: -118.628 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -122.171 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: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1396.373230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.373230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.373230 (E_RNA) where: Base-Base interactions energy: -853.914 where: short stacking energy: -371.966 Base-Backbone interact. energy: -0.946 local terms energy: -541.513032 where: bonds (distance) C4'-P energy: -118.116 bonds (distance) P-C4' energy: -136.794 flat angles C4'-P-C4' energy: -112.578 flat angles P-C4'-P energy: -90.357 tors. eta vs tors. theta energy: -83.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1301.647753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.647753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.647753 (E_RNA) where: Base-Base interactions energy: -812.748 where: short stacking energy: -353.414 Base-Backbone interact. energy: -1.220 local terms energy: -487.679467 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -124.847 flat angles C4'-P-C4' energy: -107.757 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -49.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1000.573581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.573581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.573581 (E_RNA) where: Base-Base interactions energy: -604.371 where: short stacking energy: -276.815 Base-Backbone interact. energy: 8.269 local terms energy: -404.471494 where: bonds (distance) C4'-P energy: -98.913 bonds (distance) P-C4' energy: -139.884 flat angles C4'-P-C4' energy: -119.406 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -6.047 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: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2700.677426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.677426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.677426 (E_RNA) where: Base-Base interactions energy: -1880.184 where: short stacking energy: -753.677 Base-Backbone interact. energy: -0.535 local terms energy: -819.958585 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -156.832 flat angles C4'-P-C4' energy: -174.818 flat angles P-C4'-P energy: -117.582 tors. eta vs tors. theta energy: -223.855 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: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2641.765799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.765799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.765799 (E_RNA) where: Base-Base interactions energy: -1815.048 where: short stacking energy: -760.345 Base-Backbone interact. energy: -3.706 local terms energy: -823.012155 where: bonds (distance) C4'-P energy: -149.129 bonds (distance) P-C4' energy: -156.267 flat angles C4'-P-C4' energy: -166.632 flat angles P-C4'-P energy: -123.589 tors. eta vs tors. theta energy: -227.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2470.490234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.490234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.490234 (E_RNA) where: Base-Base interactions energy: -1717.614 where: short stacking energy: -730.196 Base-Backbone interact. energy: -2.381 local terms energy: -750.495111 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -155.774 flat angles P-C4'-P energy: -101.766 tors. eta vs tors. theta energy: -207.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2304.400485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.400485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.400485 (E_RNA) where: Base-Base interactions energy: -1582.465 where: short stacking energy: -685.157 Base-Backbone interact. energy: -2.999 local terms energy: -718.936863 where: bonds (distance) C4'-P energy: -118.304 bonds (distance) P-C4' energy: -137.282 flat angles C4'-P-C4' energy: -159.958 flat angles P-C4'-P energy: -105.503 tors. eta vs tors. theta energy: -197.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2128.978163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.978163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.978163 (E_RNA) where: Base-Base interactions energy: -1431.348 where: short stacking energy: -624.339 Base-Backbone interact. energy: -1.903 local terms energy: -695.727673 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -151.411 flat angles C4'-P-C4' energy: -145.851 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -187.974 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: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2016.257284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.257284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.257284 (E_RNA) where: Base-Base interactions energy: -1376.351 where: short stacking energy: -571.793 Base-Backbone interact. energy: -0.508 local terms energy: -639.398832 where: bonds (distance) C4'-P energy: -131.699 bonds (distance) P-C4' energy: -126.003 flat angles C4'-P-C4' energy: -131.485 flat angles P-C4'-P energy: -92.824 tors. eta vs tors. theta energy: -157.388 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: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1594.980713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.980713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.980713 (E_RNA) where: Base-Base interactions energy: -1018.912 where: short stacking energy: -488.066 Base-Backbone interact. energy: -0.225 local terms energy: -575.844089 where: bonds (distance) C4'-P energy: -115.969 bonds (distance) P-C4' energy: -129.213 flat angles C4'-P-C4' energy: -138.572 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -110.119 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: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1392.233539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.233539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.233539 (E_RNA) where: Base-Base interactions energy: -870.305 where: short stacking energy: -399.177 Base-Backbone interact. energy: -0.652 local terms energy: -521.276378 where: bonds (distance) C4'-P energy: -123.908 bonds (distance) P-C4' energy: -133.194 flat angles C4'-P-C4' energy: -122.660 flat angles P-C4'-P energy: -72.757 tors. eta vs tors. theta energy: -68.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1199.891199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.891199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.891199 (E_RNA) where: Base-Base interactions energy: -726.111 where: short stacking energy: -363.162 Base-Backbone interact. energy: -1.469 local terms energy: -472.311383 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -156.723 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -63.317 tors. eta vs tors. theta energy: -54.027 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: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1020.446506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.446506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.446506 (E_RNA) where: Base-Base interactions energy: -594.237 where: short stacking energy: -312.606 Base-Backbone interact. energy: 0.995 local terms energy: -427.204245 where: bonds (distance) C4'-P energy: -113.507 bonds (distance) P-C4' energy: -129.510 flat angles C4'-P-C4' energy: -92.475 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -28.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2715.648316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.648316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.648316 (E_RNA) where: Base-Base interactions energy: -1914.226 where: short stacking energy: -772.322 Base-Backbone interact. energy: -2.130 local terms energy: -799.292127 where: bonds (distance) C4'-P energy: -150.172 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -158.598 flat angles P-C4'-P energy: -118.727 tors. eta vs tors. theta energy: -220.458 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: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2626.714719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.714719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.714719 (E_RNA) where: Base-Base interactions energy: -1834.116 where: short stacking energy: -767.434 Base-Backbone interact. energy: -2.741 local terms energy: -789.857267 where: bonds (distance) C4'-P energy: -145.578 bonds (distance) P-C4' energy: -136.607 flat angles C4'-P-C4' energy: -161.730 flat angles P-C4'-P energy: -121.333 tors. eta vs tors. theta energy: -224.608 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: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2468.450139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.450139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.450139 (E_RNA) where: Base-Base interactions energy: -1696.414 where: short stacking energy: -708.942 Base-Backbone interact. energy: -5.565 local terms energy: -766.471058 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -150.559 flat angles P-C4'-P energy: -106.756 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: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2380.305679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.305679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.305679 (E_RNA) where: Base-Base interactions energy: -1665.629 where: short stacking energy: -723.151 Base-Backbone interact. energy: -4.604 local terms energy: -710.072752 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -131.588 flat angles C4'-P-C4' energy: -159.613 flat angles P-C4'-P energy: -82.553 tors. eta vs tors. theta energy: -201.564 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: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2124.437196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.437196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.437196 (E_RNA) where: Base-Base interactions energy: -1432.943 where: short stacking energy: -620.707 Base-Backbone interact. energy: -2.411 local terms energy: -689.083646 where: bonds (distance) C4'-P energy: -122.064 bonds (distance) P-C4' energy: -127.292 flat angles C4'-P-C4' energy: -164.272 flat angles P-C4'-P energy: -96.001 tors. eta vs tors. theta energy: -179.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2112.430716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.430716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.430716 (E_RNA) where: Base-Base interactions energy: -1426.209 where: short stacking energy: -611.374 Base-Backbone interact. energy: -0.055 local terms energy: -686.166660 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -129.998 flat angles C4'-P-C4' energy: -148.675 flat angles P-C4'-P energy: -107.933 tors. eta vs tors. theta energy: -169.635 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: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1643.858655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.858655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.858655 (E_RNA) where: Base-Base interactions energy: -1049.927 where: short stacking energy: -467.763 Base-Backbone interact. energy: 4.722 local terms energy: -598.653088 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -131.918 flat angles C4'-P-C4' energy: -145.685 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -112.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1468.497362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.497362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.497362 (E_RNA) where: Base-Base interactions energy: -929.667 where: short stacking energy: -397.894 Base-Backbone interact. energy: 1.834 local terms energy: -540.664804 where: bonds (distance) C4'-P energy: -124.760 bonds (distance) P-C4' energy: -153.266 flat angles C4'-P-C4' energy: -127.538 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -67.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1182.028022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.028022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.028022 (E_RNA) where: Base-Base interactions energy: -740.837 where: short stacking energy: -358.647 Base-Backbone interact. energy: -0.461 local terms energy: -440.730175 where: bonds (distance) C4'-P energy: -98.506 bonds (distance) P-C4' energy: -107.627 flat angles C4'-P-C4' energy: -127.256 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -37.002 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: 299 Temperature: 1.350000 Total energy: -924.618700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.618700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.618700 (E_RNA) where: Base-Base interactions energy: -512.830 where: short stacking energy: -255.571 Base-Backbone interact. energy: -0.528 local terms energy: -411.261292 where: bonds (distance) C4'-P energy: -85.501 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -124.906 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2714.217429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.217429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.217429 (E_RNA) where: Base-Base interactions energy: -1885.643 where: short stacking energy: -772.426 Base-Backbone interact. energy: 0.270 local terms energy: -828.844689 where: bonds (distance) C4'-P energy: -149.517 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -181.412 flat angles P-C4'-P energy: -129.530 tors. eta vs tors. theta energy: -217.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2641.100952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.100952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.100952 (E_RNA) where: Base-Base interactions energy: -1822.105 where: short stacking energy: -771.246 Base-Backbone interact. energy: -1.892 local terms energy: -817.103687 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -152.737 flat angles C4'-P-C4' energy: -172.821 flat angles P-C4'-P energy: -127.436 tors. eta vs tors. theta energy: -223.707 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: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2432.198481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.198481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.198481 (E_RNA) where: Base-Base interactions energy: -1675.122 where: short stacking energy: -722.579 Base-Backbone interact. energy: -2.580 local terms energy: -754.496339 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -152.092 flat angles P-C4'-P energy: -106.089 tors. eta vs tors. theta energy: -217.116 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: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2410.353710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.353710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.353710 (E_RNA) where: Base-Base interactions energy: -1679.477 where: short stacking energy: -689.899 Base-Backbone interact. energy: -4.445 local terms energy: -726.431672 where: bonds (distance) C4'-P energy: -137.499 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -207.523 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: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2107.062141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.062141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.062141 (E_RNA) where: Base-Base interactions energy: -1401.548 where: short stacking energy: -618.437 Base-Backbone interact. energy: -2.939 local terms energy: -702.575031 where: bonds (distance) C4'-P energy: -126.614 bonds (distance) P-C4' energy: -149.736 flat angles C4'-P-C4' energy: -149.181 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -183.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2082.134468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.134468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.134468 (E_RNA) where: Base-Base interactions energy: -1397.002 where: short stacking energy: -604.065 Base-Backbone interact. energy: -2.275 local terms energy: -682.857794 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -140.903 flat angles C4'-P-C4' energy: -123.026 flat angles P-C4'-P energy: -90.938 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: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1662.208519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.208519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.208519 (E_RNA) where: Base-Base interactions energy: -1064.611 where: short stacking energy: -521.858 Base-Backbone interact. energy: -1.578 local terms energy: -596.019822 where: bonds (distance) C4'-P energy: -116.646 bonds (distance) P-C4' energy: -120.145 flat angles C4'-P-C4' energy: -140.447 flat angles P-C4'-P energy: -85.806 tors. eta vs tors. theta energy: -132.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1463.503508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.503508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.503508 (E_RNA) where: Base-Base interactions energy: -918.057 where: short stacking energy: -402.898 Base-Backbone interact. energy: -1.437 local terms energy: -544.009587 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -115.711 flat angles C4'-P-C4' energy: -146.866 flat angles P-C4'-P energy: -68.944 tors. eta vs tors. theta energy: -78.810 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: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1216.730628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.730628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.730628 (E_RNA) where: Base-Base interactions energy: -736.675 where: short stacking energy: -366.917 Base-Backbone interact. energy: 0.216 local terms energy: -480.271623 where: bonds (distance) C4'-P energy: -115.632 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -112.384 flat angles P-C4'-P energy: -62.453 tors. eta vs tors. theta energy: -56.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -975.426735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.426735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.426735 (E_RNA) where: Base-Base interactions energy: -541.488 where: short stacking energy: -290.149 Base-Backbone interact. energy: 2.366 local terms energy: -436.304527 where: bonds (distance) C4'-P energy: -115.327 bonds (distance) P-C4' energy: -129.725 flat angles C4'-P-C4' energy: -101.526 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -23.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2704.363160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.363160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.363160 (E_RNA) where: Base-Base interactions energy: -1901.877 where: short stacking energy: -760.516 Base-Backbone interact. energy: -1.582 local terms energy: -800.904200 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -159.253 flat angles C4'-P-C4' energy: -163.227 flat angles P-C4'-P energy: -121.343 tors. eta vs tors. theta energy: -220.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2630.546903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.546903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.546903 (E_RNA) where: Base-Base interactions energy: -1820.324 where: short stacking energy: -785.650 Base-Backbone interact. energy: -1.946 local terms energy: -808.276712 where: bonds (distance) C4'-P energy: -154.925 bonds (distance) P-C4' energy: -133.377 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -119.189 tors. eta vs tors. theta energy: -230.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2493.518195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.518195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.518195 (E_RNA) where: Base-Base interactions energy: -1692.682 where: short stacking energy: -726.030 Base-Backbone interact. energy: -3.684 local terms energy: -797.151530 where: bonds (distance) C4'-P energy: -137.154 bonds (distance) P-C4' energy: -145.717 flat angles C4'-P-C4' energy: -171.666 flat angles P-C4'-P energy: -114.504 tors. eta vs tors. theta energy: -228.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2369.816559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.816559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.816559 (E_RNA) where: Base-Base interactions energy: -1645.941 where: short stacking energy: -685.775 Base-Backbone interact. energy: 7.437 local terms energy: -731.312051 where: bonds (distance) C4'-P energy: -136.599 bonds (distance) P-C4' energy: -141.544 flat angles C4'-P-C4' energy: -155.300 flat angles P-C4'-P energy: -103.006 tors. eta vs tors. theta energy: -194.863 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: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2120.903628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.903628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.903628 (E_RNA) where: Base-Base interactions energy: -1427.859 where: short stacking energy: -632.055 Base-Backbone interact. energy: 4.491 local terms energy: -697.534684 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -131.279 flat angles C4'-P-C4' energy: -152.363 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -190.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2070.869932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.869932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.869932 (E_RNA) where: Base-Base interactions energy: -1415.925 where: short stacking energy: -612.999 Base-Backbone interact. energy: -2.473 local terms energy: -652.472104 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -114.341 flat angles C4'-P-C4' energy: -150.495 flat angles P-C4'-P energy: -80.203 tors. eta vs tors. theta energy: -175.477 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: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1673.726319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.726319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.726319 (E_RNA) where: Base-Base interactions energy: -1086.815 where: short stacking energy: -485.667 Base-Backbone interact. energy: -0.725 local terms energy: -586.186006 where: bonds (distance) C4'-P energy: -122.310 bonds (distance) P-C4' energy: -136.281 flat angles C4'-P-C4' energy: -139.294 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -111.212 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1447.921848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.921848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.921848 (E_RNA) where: Base-Base interactions energy: -919.202 where: short stacking energy: -422.621 Base-Backbone interact. energy: -2.995 local terms energy: -525.725217 where: bonds (distance) C4'-P energy: -85.765 bonds (distance) P-C4' energy: -130.359 flat angles C4'-P-C4' energy: -139.024 flat angles P-C4'-P energy: -82.826 tors. eta vs tors. theta energy: -87.751 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: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1211.303524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.303524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.303524 (E_RNA) where: Base-Base interactions energy: -729.389 where: short stacking energy: -352.695 Base-Backbone interact. energy: 2.056 local terms energy: -483.970938 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -129.466 flat angles C4'-P-C4' energy: -129.079 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -30.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1003.716223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.716223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.716223 (E_RNA) where: Base-Base interactions energy: -575.217 where: short stacking energy: -304.511 Base-Backbone interact. energy: 3.487 local terms energy: -431.986240 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -127.778 flat angles C4'-P-C4' energy: -99.498 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -28.104 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: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2684.583616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.583616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.583616 (E_RNA) where: Base-Base interactions energy: -1861.768 where: short stacking energy: -794.671 Base-Backbone interact. energy: -3.079 local terms energy: -819.736349 where: bonds (distance) C4'-P energy: -148.434 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -167.786 flat angles P-C4'-P energy: -112.833 tors. eta vs tors. theta energy: -231.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2635.544771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.544771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.544771 (E_RNA) where: Base-Base interactions energy: -1834.986 where: short stacking energy: -737.526 Base-Backbone interact. energy: -3.561 local terms energy: -796.998268 where: bonds (distance) C4'-P energy: -146.977 bonds (distance) P-C4' energy: -153.987 flat angles C4'-P-C4' energy: -159.201 flat angles P-C4'-P energy: -119.330 tors. eta vs tors. theta energy: -217.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2489.591403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.591403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.591403 (E_RNA) where: Base-Base interactions energy: -1696.509 where: short stacking energy: -728.757 Base-Backbone interact. energy: -3.873 local terms energy: -789.209381 where: bonds (distance) C4'-P energy: -149.974 bonds (distance) P-C4' energy: -142.962 flat angles C4'-P-C4' energy: -174.426 flat angles P-C4'-P energy: -90.897 tors. eta vs tors. theta energy: -230.950 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: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2370.395300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.395300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.395300 (E_RNA) where: Base-Base interactions energy: -1649.983 where: short stacking energy: -686.547 Base-Backbone interact. energy: -1.529 local terms energy: -718.883458 where: bonds (distance) C4'-P energy: -131.308 bonds (distance) P-C4' energy: -125.681 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -93.157 tors. eta vs tors. theta energy: -203.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2214.943272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.943272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.943272 (E_RNA) where: Base-Base interactions energy: -1504.554 where: short stacking energy: -656.210 Base-Backbone interact. energy: 3.499 local terms energy: -713.888326 where: bonds (distance) C4'-P energy: -150.189 bonds (distance) P-C4' energy: -128.156 flat angles C4'-P-C4' energy: -149.954 flat angles P-C4'-P energy: -97.036 tors. eta vs tors. theta energy: -188.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2037.941001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.941001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.941001 (E_RNA) where: Base-Base interactions energy: -1370.441 where: short stacking energy: -562.586 Base-Backbone interact. energy: -3.099 local terms energy: -664.400154 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -142.582 flat angles C4'-P-C4' energy: -149.800 flat angles P-C4'-P energy: -103.067 tors. eta vs tors. theta energy: -148.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1642.609285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.609285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.609285 (E_RNA) where: Base-Base interactions energy: -1071.019 where: short stacking energy: -480.643 Base-Backbone interact. energy: -2.995 local terms energy: -568.595527 where: bonds (distance) C4'-P energy: -135.822 bonds (distance) P-C4' energy: -126.505 flat angles C4'-P-C4' energy: -138.982 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -104.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1495.131035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.131035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.131035 (E_RNA) where: Base-Base interactions energy: -939.263 where: short stacking energy: -436.642 Base-Backbone interact. energy: -1.726 local terms energy: -554.141958 where: bonds (distance) C4'-P energy: -114.784 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -107.710 tors. eta vs tors. theta energy: -81.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1221.305319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.305319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.305319 (E_RNA) where: Base-Base interactions energy: -739.027 where: short stacking energy: -357.142 Base-Backbone interact. energy: -2.069 local terms energy: -480.208790 where: bonds (distance) C4'-P energy: -124.961 bonds (distance) P-C4' energy: -104.511 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -75.075 tors. eta vs tors. theta energy: -55.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -968.084057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.084057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.084057 (E_RNA) where: Base-Base interactions energy: -559.989 where: short stacking energy: -263.503 Base-Backbone interact. energy: -1.737 local terms energy: -406.357836 where: bonds (distance) C4'-P energy: -104.516 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -107.747 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -15.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2709.035194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.035194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.035194 (E_RNA) where: Base-Base interactions energy: -1880.064 where: short stacking energy: -827.634 Base-Backbone interact. energy: 1.173 local terms energy: -830.144012 where: bonds (distance) C4'-P energy: -154.669 bonds (distance) P-C4' energy: -151.292 flat angles C4'-P-C4' energy: -160.500 flat angles P-C4'-P energy: -131.004 tors. eta vs tors. theta energy: -232.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2615.060261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.060261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.060261 (E_RNA) where: Base-Base interactions energy: -1851.745 where: short stacking energy: -757.556 Base-Backbone interact. energy: -0.740 local terms energy: -762.575353 where: bonds (distance) C4'-P energy: -144.991 bonds (distance) P-C4' energy: -144.708 flat angles C4'-P-C4' energy: -170.291 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -211.391 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: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2456.574731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.574731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.574731 (E_RNA) where: Base-Base interactions energy: -1715.305 where: short stacking energy: -746.487 Base-Backbone interact. energy: -1.812 local terms energy: -739.457836 where: bonds (distance) C4'-P energy: -120.889 bonds (distance) P-C4' energy: -132.168 flat angles C4'-P-C4' energy: -160.224 flat angles P-C4'-P energy: -107.139 tors. eta vs tors. theta energy: -219.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2376.856311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.856311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.856311 (E_RNA) where: Base-Base interactions energy: -1656.188 where: short stacking energy: -662.358 Base-Backbone interact. energy: -3.582 local terms energy: -717.086307 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -146.161 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -93.831 tors. eta vs tors. theta energy: -192.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2186.251251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.251251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.251251 (E_RNA) where: Base-Base interactions energy: -1468.824 where: short stacking energy: -680.467 Base-Backbone interact. energy: 0.935 local terms energy: -718.361574 where: bonds (distance) C4'-P energy: -125.466 bonds (distance) P-C4' energy: -140.283 flat angles C4'-P-C4' energy: -150.402 flat angles P-C4'-P energy: -100.850 tors. eta vs tors. theta energy: -201.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2058.747871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.747871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.747871 (E_RNA) where: Base-Base interactions energy: -1409.366 where: short stacking energy: -612.918 Base-Backbone interact. energy: 1.174 local terms energy: -650.556532 where: bonds (distance) C4'-P energy: -126.927 bonds (distance) P-C4' energy: -122.996 flat angles C4'-P-C4' energy: -158.871 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -159.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1728.886994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.886994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.886994 (E_RNA) where: Base-Base interactions energy: -1148.111 where: short stacking energy: -472.228 Base-Backbone interact. energy: -2.180 local terms energy: -578.595943 where: bonds (distance) C4'-P energy: -133.193 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -126.960 flat angles P-C4'-P energy: -87.551 tors. eta vs tors. theta energy: -118.140 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: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1494.261690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.261690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.261690 (E_RNA) where: Base-Base interactions energy: -929.268 where: short stacking energy: -423.815 Base-Backbone interact. energy: 1.463 local terms energy: -566.455844 where: bonds (distance) C4'-P energy: -115.370 bonds (distance) P-C4' energy: -138.540 flat angles C4'-P-C4' energy: -143.891 flat angles P-C4'-P energy: -74.597 tors. eta vs tors. theta energy: -94.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1242.829312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.829312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.829312 (E_RNA) where: Base-Base interactions energy: -749.185 where: short stacking energy: -345.619 Base-Backbone interact. energy: 3.432 local terms energy: -497.076794 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -121.331 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -75.953 tors. eta vs tors. theta energy: -56.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -987.123377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.123377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.123377 (E_RNA) where: Base-Base interactions energy: -575.745 where: short stacking energy: -276.918 Base-Backbone interact. energy: -0.445 local terms energy: -410.933438 where: bonds (distance) C4'-P energy: -111.709 bonds (distance) P-C4' energy: -109.987 flat angles C4'-P-C4' energy: -102.971 flat angles P-C4'-P energy: -69.687 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2729.102794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.102794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.102794 (E_RNA) where: Base-Base interactions energy: -1900.470 where: short stacking energy: -836.453 Base-Backbone interact. energy: -2.198 local terms energy: -826.435644 where: bonds (distance) C4'-P energy: -149.140 bonds (distance) P-C4' energy: -153.268 flat angles C4'-P-C4' energy: -163.485 flat angles P-C4'-P energy: -120.186 tors. eta vs tors. theta energy: -240.356 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: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2610.548662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.548662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.548662 (E_RNA) where: Base-Base interactions energy: -1850.364 where: short stacking energy: -749.076 Base-Backbone interact. energy: -0.630 local terms energy: -759.555271 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -155.226 flat angles P-C4'-P energy: -113.693 tors. eta vs tors. theta energy: -210.117 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: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2465.468979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.468979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.468979 (E_RNA) where: Base-Base interactions energy: -1689.536 where: short stacking energy: -744.208 Base-Backbone interact. energy: 0.425 local terms energy: -776.357352 where: bonds (distance) C4'-P energy: -133.488 bonds (distance) P-C4' energy: -150.682 flat angles C4'-P-C4' energy: -160.527 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -217.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2382.664643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.664643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.664643 (E_RNA) where: Base-Base interactions energy: -1661.955 where: short stacking energy: -711.025 Base-Backbone interact. energy: -4.563 local terms energy: -716.147265 where: bonds (distance) C4'-P energy: -127.853 bonds (distance) P-C4' energy: -124.114 flat angles C4'-P-C4' energy: -154.271 flat angles P-C4'-P energy: -104.974 tors. eta vs tors. theta energy: -204.935 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2179.803803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.803803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.803803 (E_RNA) where: Base-Base interactions energy: -1467.241 where: short stacking energy: -644.810 Base-Backbone interact. energy: -3.101 local terms energy: -709.461759 where: bonds (distance) C4'-P energy: -134.451 bonds (distance) P-C4' energy: -139.370 flat angles C4'-P-C4' energy: -158.780 flat angles P-C4'-P energy: -87.211 tors. eta vs tors. theta energy: -189.650 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: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1991.043629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.043629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.043629 (E_RNA) where: Base-Base interactions energy: -1374.742 where: short stacking energy: -587.427 Base-Backbone interact. energy: -1.378 local terms energy: -614.923084 where: bonds (distance) C4'-P energy: -108.835 bonds (distance) P-C4' energy: -134.034 flat angles C4'-P-C4' energy: -145.459 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -147.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1755.461897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.461897 (E_RNA) where: Base-Base interactions energy: -1135.413 where: short stacking energy: -511.974 Base-Backbone interact. energy: -1.786 local terms energy: -618.263067 where: bonds (distance) C4'-P energy: -124.159 bonds (distance) P-C4' energy: -130.793 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -86.450 tors. eta vs tors. theta energy: -145.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1483.075076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.075076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.075076 (E_RNA) where: Base-Base interactions energy: -935.366 where: short stacking energy: -410.314 Base-Backbone interact. energy: -3.724 local terms energy: -543.984831 where: bonds (distance) C4'-P energy: -119.030 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -117.307 flat angles P-C4'-P energy: -91.537 tors. eta vs tors. theta energy: -84.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1205.742551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.742551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.742551 (E_RNA) where: Base-Base interactions energy: -726.475 where: short stacking energy: -332.630 Base-Backbone interact. energy: 1.104 local terms energy: -480.371564 where: bonds (distance) C4'-P energy: -111.655 bonds (distance) P-C4' energy: -126.595 flat angles C4'-P-C4' energy: -129.065 flat angles P-C4'-P energy: -83.197 tors. eta vs tors. theta energy: -29.859 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: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1009.840713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.840713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.840713 (E_RNA) where: Base-Base interactions energy: -583.357 where: short stacking energy: -285.361 Base-Backbone interact. energy: 2.237 local terms energy: -428.721003 where: bonds (distance) C4'-P energy: -121.330 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -120.852 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2731.631614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.631614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.631614 (E_RNA) where: Base-Base interactions energy: -1899.416 where: short stacking energy: -823.654 Base-Backbone interact. energy: -3.712 local terms energy: -828.503558 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -139.978 flat angles C4'-P-C4' energy: -179.243 flat angles P-C4'-P energy: -115.587 tors. eta vs tors. theta energy: -240.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2642.957120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.957120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.957120 (E_RNA) where: Base-Base interactions energy: -1841.821 where: short stacking energy: -736.821 Base-Backbone interact. energy: -3.029 local terms energy: -798.107403 where: bonds (distance) C4'-P energy: -146.089 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -167.350 flat angles P-C4'-P energy: -120.547 tors. eta vs tors. theta energy: -206.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2440.706406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.706406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.706406 (E_RNA) where: Base-Base interactions energy: -1663.006 where: short stacking energy: -712.535 Base-Backbone interact. energy: -1.969 local terms energy: -775.730725 where: bonds (distance) C4'-P energy: -141.455 bonds (distance) P-C4' energy: -148.816 flat angles C4'-P-C4' energy: -162.000 flat angles P-C4'-P energy: -106.517 tors. eta vs tors. theta energy: -216.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2392.278791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.278791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.278791 (E_RNA) where: Base-Base interactions energy: -1668.532 where: short stacking energy: -681.070 Base-Backbone interact. energy: 0.346 local terms energy: -724.093058 where: bonds (distance) C4'-P energy: -130.360 bonds (distance) P-C4' energy: -144.886 flat angles C4'-P-C4' energy: -151.573 flat angles P-C4'-P energy: -103.639 tors. eta vs tors. theta energy: -193.635 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: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2194.022823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.022823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.022823 (E_RNA) where: Base-Base interactions energy: -1449.504 where: short stacking energy: -632.695 Base-Backbone interact. energy: -2.292 local terms energy: -742.227455 where: bonds (distance) C4'-P energy: -134.308 bonds (distance) P-C4' energy: -156.443 flat angles C4'-P-C4' energy: -166.665 flat angles P-C4'-P energy: -95.974 tors. eta vs tors. theta energy: -188.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1952.684514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.684514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.684514 (E_RNA) where: Base-Base interactions energy: -1324.641 where: short stacking energy: -570.462 Base-Backbone interact. energy: -0.046 local terms energy: -627.997489 where: bonds (distance) C4'-P energy: -131.836 bonds (distance) P-C4' energy: -110.306 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -154.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1684.889459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.889459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.889459 (E_RNA) where: Base-Base interactions energy: -1092.070 where: short stacking energy: -522.938 Base-Backbone interact. energy: 3.204 local terms energy: -596.023339 where: bonds (distance) C4'-P energy: -112.573 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -131.838 flat angles P-C4'-P energy: -81.907 tors. eta vs tors. theta energy: -144.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1483.878199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.878199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.878199 (E_RNA) where: Base-Base interactions energy: -960.601 where: short stacking energy: -412.903 Base-Backbone interact. energy: -0.792 local terms energy: -522.484789 where: bonds (distance) C4'-P energy: -128.296 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -120.376 flat angles P-C4'-P energy: -76.792 tors. eta vs tors. theta energy: -65.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1207.884681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.884681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.884681 (E_RNA) where: Base-Base interactions energy: -703.204 where: short stacking energy: -322.456 Base-Backbone interact. energy: -3.015 local terms energy: -501.666025 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -136.206 flat angles C4'-P-C4' energy: -123.283 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -42.560 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: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1006.112123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.112123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.112123 (E_RNA) where: Base-Base interactions energy: -608.566 where: short stacking energy: -271.418 Base-Backbone interact. energy: 2.111 local terms energy: -399.657398 where: bonds (distance) C4'-P energy: -103.862 bonds (distance) P-C4' energy: -124.675 flat angles C4'-P-C4' energy: -98.763 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2712.579380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.579380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.579380 (E_RNA) where: Base-Base interactions energy: -1864.273 where: short stacking energy: -795.682 Base-Backbone interact. energy: -5.806 local terms energy: -842.500347 where: bonds (distance) C4'-P energy: -147.576 bonds (distance) P-C4' energy: -155.502 flat angles C4'-P-C4' energy: -173.378 flat angles P-C4'-P energy: -122.054 tors. eta vs tors. theta energy: -243.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2671.673104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.673104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.673104 (E_RNA) where: Base-Base interactions energy: -1885.818 where: short stacking energy: -753.713 Base-Backbone interact. energy: -6.334 local terms energy: -779.521053 where: bonds (distance) C4'-P energy: -128.904 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -170.587 flat angles P-C4'-P energy: -132.326 tors. eta vs tors. theta energy: -210.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2487.954316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.954316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.954316 (E_RNA) where: Base-Base interactions energy: -1705.545 where: short stacking energy: -747.309 Base-Backbone interact. energy: -3.549 local terms energy: -778.861223 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -147.078 flat angles C4'-P-C4' energy: -162.654 flat angles P-C4'-P energy: -105.383 tors. eta vs tors. theta energy: -221.697 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: 306 Temperature: 1.050000 Total energy: -2370.141981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.141981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.141981 (E_RNA) where: Base-Base interactions energy: -1635.879 where: short stacking energy: -672.489 Base-Backbone interact. energy: -3.263 local terms energy: -730.999747 where: bonds (distance) C4'-P energy: -135.161 bonds (distance) P-C4' energy: -138.222 flat angles C4'-P-C4' energy: -157.598 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -197.986 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: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2164.888797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.888797 (E_RNA) where: Base-Base interactions energy: -1458.273 where: short stacking energy: -659.149 Base-Backbone interact. energy: -0.459 local terms energy: -706.155956 where: bonds (distance) C4'-P energy: -119.981 bonds (distance) P-C4' energy: -126.415 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -101.883 tors. eta vs tors. theta energy: -203.255 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: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2002.503814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.503814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.503814 (E_RNA) where: Base-Base interactions energy: -1348.767 where: short stacking energy: -557.468 Base-Backbone interact. energy: 3.423 local terms energy: -657.159727 where: bonds (distance) C4'-P energy: -127.942 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -143.006 flat angles P-C4'-P energy: -96.095 tors. eta vs tors. theta energy: -153.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1671.371302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.371302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.371302 (E_RNA) where: Base-Base interactions energy: -1076.982 where: short stacking energy: -503.507 Base-Backbone interact. energy: -0.604 local terms energy: -593.785734 where: bonds (distance) C4'-P energy: -134.324 bonds (distance) P-C4' energy: -135.260 flat angles C4'-P-C4' energy: -128.107 flat angles P-C4'-P energy: -83.527 tors. eta vs tors. theta energy: -112.567 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: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1468.583048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.583048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.583048 (E_RNA) where: Base-Base interactions energy: -922.225 where: short stacking energy: -402.704 Base-Backbone interact. energy: -3.439 local terms energy: -542.919321 where: bonds (distance) C4'-P energy: -111.070 bonds (distance) P-C4' energy: -130.162 flat angles C4'-P-C4' energy: -146.805 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -77.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1158.559727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.559727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.559727 (E_RNA) where: Base-Base interactions energy: -678.484 where: short stacking energy: -323.056 Base-Backbone interact. energy: -0.257 local terms energy: -479.818249 where: bonds (distance) C4'-P energy: -128.166 bonds (distance) P-C4' energy: -132.183 flat angles C4'-P-C4' energy: -100.057 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -49.200 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: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -945.496228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.496228 (E_RNA) where: Base-Base interactions energy: -536.559 where: short stacking energy: -260.595 Base-Backbone interact. energy: 2.564 local terms energy: -411.501691 where: bonds (distance) C4'-P energy: -120.340 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -93.064 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -3.570 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: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2714.510561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.510561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.510561 (E_RNA) where: Base-Base interactions energy: -1891.291 where: short stacking energy: -812.090 Base-Backbone interact. energy: 1.036 local terms energy: -824.255804 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -159.625 flat angles C4'-P-C4' energy: -177.631 flat angles P-C4'-P energy: -110.573 tors. eta vs tors. theta energy: -234.556 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: 307 Temperature: 0.950000 Total energy: -2668.039628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.039628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.039628 (E_RNA) where: Base-Base interactions energy: -1897.058 where: short stacking energy: -750.267 Base-Backbone interact. energy: -1.624 local terms energy: -769.357934 where: bonds (distance) C4'-P energy: -134.351 bonds (distance) P-C4' energy: -140.916 flat angles C4'-P-C4' energy: -175.703 flat angles P-C4'-P energy: -104.071 tors. eta vs tors. theta energy: -214.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2477.214817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.214817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.214817 (E_RNA) where: Base-Base interactions energy: -1693.050 where: short stacking energy: -736.222 Base-Backbone interact. energy: 0.194 local terms energy: -784.358684 where: bonds (distance) C4'-P energy: -144.761 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -161.403 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -228.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2351.112478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.112478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.112478 (E_RNA) where: Base-Base interactions energy: -1606.414 where: short stacking energy: -677.489 Base-Backbone interact. energy: 0.841 local terms energy: -745.538918 where: bonds (distance) C4'-P energy: -139.128 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -165.512 flat angles P-C4'-P energy: -100.514 tors. eta vs tors. theta energy: -194.089 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2163.923868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.923868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.923868 (E_RNA) where: Base-Base interactions energy: -1475.974 where: short stacking energy: -659.585 Base-Backbone interact. energy: 1.244 local terms energy: -689.193174 where: bonds (distance) C4'-P energy: -142.435 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -146.382 flat angles P-C4'-P energy: -90.373 tors. eta vs tors. theta energy: -197.983 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: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2058.699461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.699461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.699461 (E_RNA) where: Base-Base interactions energy: -1388.626 where: short stacking energy: -600.632 Base-Backbone interact. energy: -1.464 local terms energy: -668.608920 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -145.480 flat angles P-C4'-P energy: -95.048 tors. eta vs tors. theta energy: -163.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1705.223679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.223679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.223679 (E_RNA) where: Base-Base interactions energy: -1102.892 where: short stacking energy: -493.039 Base-Backbone interact. energy: -0.710 local terms energy: -601.621673 where: bonds (distance) C4'-P energy: -125.848 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -134.314 flat angles P-C4'-P energy: -86.511 tors. eta vs tors. theta energy: -122.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1454.017265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.017265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.017265 (E_RNA) where: Base-Base interactions energy: -948.817 where: short stacking energy: -415.926 Base-Backbone interact. energy: -2.132 local terms energy: -503.068159 where: bonds (distance) C4'-P energy: -110.181 bonds (distance) P-C4' energy: -127.988 flat angles C4'-P-C4' energy: -110.506 flat angles P-C4'-P energy: -83.652 tors. eta vs tors. theta energy: -70.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1172.697793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.697793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.697793 (E_RNA) where: Base-Base interactions energy: -724.689 where: short stacking energy: -341.966 Base-Backbone interact. energy: 11.296 local terms energy: -459.304815 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -120.746 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: -59.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -990.800616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.800616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.800616 (E_RNA) where: Base-Base interactions energy: -550.785 where: short stacking energy: -267.745 Base-Backbone interact. energy: 1.857 local terms energy: -441.872576 where: bonds (distance) C4'-P energy: -142.330 bonds (distance) P-C4' energy: -120.759 flat angles C4'-P-C4' energy: -106.245 flat angles P-C4'-P energy: -60.562 tors. eta vs tors. theta energy: -11.978 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: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2675.615037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.615037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.615037 (E_RNA) where: Base-Base interactions energy: -1903.440 where: short stacking energy: -822.728 Base-Backbone interact. energy: -3.020 local terms energy: -769.154232 where: bonds (distance) C4'-P energy: -115.193 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -171.880 flat angles P-C4'-P energy: -114.792 tors. eta vs tors. theta energy: -228.315 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: 308 Temperature: 0.950000 Total energy: -2645.513511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.513511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.513511 (E_RNA) where: Base-Base interactions energy: -1870.028 where: short stacking energy: -751.027 Base-Backbone interact. energy: -3.077 local terms energy: -772.408030 where: bonds (distance) C4'-P energy: -139.670 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -167.284 flat angles P-C4'-P energy: -108.651 tors. eta vs tors. theta energy: -206.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2463.270899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.270899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.270899 (E_RNA) where: Base-Base interactions energy: -1686.897 where: short stacking energy: -735.065 Base-Backbone interact. energy: -1.576 local terms energy: -774.797669 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -143.447 flat angles C4'-P-C4' energy: -171.514 flat angles P-C4'-P energy: -103.959 tors. eta vs tors. theta energy: -214.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2390.262449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.262449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.262449 (E_RNA) where: Base-Base interactions energy: -1666.414 where: short stacking energy: -708.787 Base-Backbone interact. energy: -2.424 local terms energy: -721.424072 where: bonds (distance) C4'-P energy: -129.720 bonds (distance) P-C4' energy: -136.358 flat angles C4'-P-C4' energy: -157.365 flat angles P-C4'-P energy: -95.010 tors. eta vs tors. theta energy: -202.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2141.347320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.347320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.347320 (E_RNA) where: Base-Base interactions energy: -1433.614 where: short stacking energy: -623.977 Base-Backbone interact. energy: -1.395 local terms energy: -706.338605 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -153.166 flat angles P-C4'-P energy: -86.518 tors. eta vs tors. theta energy: -182.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2039.235962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.235962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.235962 (E_RNA) where: Base-Base interactions energy: -1377.918 where: short stacking energy: -603.992 Base-Backbone interact. energy: -0.149 local terms energy: -661.169684 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -134.829 flat angles C4'-P-C4' energy: -133.642 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -171.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1652.567365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.567365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.567365 (E_RNA) where: Base-Base interactions energy: -1060.725 where: short stacking energy: -476.799 Base-Backbone interact. energy: -4.165 local terms energy: -587.677664 where: bonds (distance) C4'-P energy: -107.022 bonds (distance) P-C4' energy: -143.273 flat angles C4'-P-C4' energy: -129.851 flat angles P-C4'-P energy: -92.261 tors. eta vs tors. theta energy: -115.271 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: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1421.456310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.456310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.456310 (E_RNA) where: Base-Base interactions energy: -901.632 where: short stacking energy: -400.347 Base-Backbone interact. energy: -0.482 local terms energy: -519.342445 where: bonds (distance) C4'-P energy: -112.757 bonds (distance) P-C4' energy: -139.120 flat angles C4'-P-C4' energy: -113.216 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -72.240 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: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1137.527179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.527179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.527179 (E_RNA) where: Base-Base interactions energy: -691.136 where: short stacking energy: -335.779 Base-Backbone interact. energy: -2.082 local terms energy: -444.309329 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -112.076 flat angles P-C4'-P energy: -63.757 tors. eta vs tors. theta energy: -45.515 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: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -993.261835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.261835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.261835 (E_RNA) where: Base-Base interactions energy: -563.800 where: short stacking energy: -280.977 Base-Backbone interact. energy: -1.733 local terms energy: -427.728877 where: bonds (distance) C4'-P energy: -120.378 bonds (distance) P-C4' energy: -119.069 flat angles C4'-P-C4' energy: -102.798 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: -29.083 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2682.967098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.967098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.967098 (E_RNA) where: Base-Base interactions energy: -1852.694 where: short stacking energy: -773.507 Base-Backbone interact. energy: -3.685 local terms energy: -826.588467 where: bonds (distance) C4'-P energy: -143.757 bonds (distance) P-C4' energy: -154.596 flat angles C4'-P-C4' energy: -171.869 flat angles P-C4'-P energy: -132.378 tors. eta vs tors. theta energy: -223.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2629.159101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.159101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.159101 (E_RNA) where: Base-Base interactions energy: -1841.008 where: short stacking energy: -746.799 Base-Backbone interact. energy: -0.602 local terms energy: -787.549105 where: bonds (distance) C4'-P energy: -140.143 bonds (distance) P-C4' energy: -158.646 flat angles C4'-P-C4' energy: -172.072 flat angles P-C4'-P energy: -108.596 tors. eta vs tors. theta energy: -208.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2441.425344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.425344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.425344 (E_RNA) where: Base-Base interactions energy: -1640.530 where: short stacking energy: -733.086 Base-Backbone interact. energy: -2.653 local terms energy: -798.242415 where: bonds (distance) C4'-P energy: -139.797 bonds (distance) P-C4' energy: -150.900 flat angles C4'-P-C4' energy: -165.212 flat angles P-C4'-P energy: -115.999 tors. eta vs tors. theta energy: -226.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2360.613849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.613849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.613849 (E_RNA) where: Base-Base interactions energy: -1657.274 where: short stacking energy: -689.496 Base-Backbone interact. energy: -0.001 local terms energy: -703.339381 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -147.879 flat angles C4'-P-C4' energy: -158.496 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -205.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2122.342644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.342644 (E_RNA) where: Base-Base interactions energy: -1445.999 where: short stacking energy: -629.469 Base-Backbone interact. energy: 3.370 local terms energy: -679.713514 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -155.829 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -184.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2024.040384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.040384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.040384 (E_RNA) where: Base-Base interactions energy: -1364.288 where: short stacking energy: -587.177 Base-Backbone interact. energy: -3.343 local terms energy: -656.409067 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -129.868 flat angles C4'-P-C4' energy: -152.362 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -149.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1646.544717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.544717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.544717 (E_RNA) where: Base-Base interactions energy: -1085.109 where: short stacking energy: -471.631 Base-Backbone interact. energy: 0.429 local terms energy: -561.865168 where: bonds (distance) C4'-P energy: -120.682 bonds (distance) P-C4' energy: -131.686 flat angles C4'-P-C4' energy: -137.476 flat angles P-C4'-P energy: -70.801 tors. eta vs tors. theta energy: -101.220 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: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1499.249853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.249853 (E_RNA) where: Base-Base interactions energy: -965.896 where: short stacking energy: -456.785 Base-Backbone interact. energy: -1.273 local terms energy: -532.081079 where: bonds (distance) C4'-P energy: -104.235 bonds (distance) P-C4' energy: -128.548 flat angles C4'-P-C4' energy: -136.990 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -90.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1190.776822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.776822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.776822 (E_RNA) where: Base-Base interactions energy: -713.392 where: short stacking energy: -343.277 Base-Backbone interact. energy: -0.946 local terms energy: -476.438373 where: bonds (distance) C4'-P energy: -129.404 bonds (distance) P-C4' energy: -122.635 flat angles C4'-P-C4' energy: -110.109 flat angles P-C4'-P energy: -65.445 tors. eta vs tors. theta energy: -48.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -977.177609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.177609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.177609 (E_RNA) where: Base-Base interactions energy: -551.864 where: short stacking energy: -279.924 Base-Backbone interact. energy: -1.758 local terms energy: -423.555622 where: bonds (distance) C4'-P energy: -99.756 bonds (distance) P-C4' energy: -112.978 flat angles C4'-P-C4' energy: -117.329 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -25.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2707.425673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.425673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.425673 (E_RNA) where: Base-Base interactions energy: -1896.982 where: short stacking energy: -841.674 Base-Backbone interact. energy: 2.329 local terms energy: -812.772646 where: bonds (distance) C4'-P energy: -143.349 bonds (distance) P-C4' energy: -145.983 flat angles C4'-P-C4' energy: -174.428 flat angles P-C4'-P energy: -121.475 tors. eta vs tors. theta energy: -227.537 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: 310 Temperature: 0.950000 Total energy: -2665.202995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.202995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.202995 (E_RNA) where: Base-Base interactions energy: -1873.470 where: short stacking energy: -760.806 Base-Backbone interact. energy: -3.663 local terms energy: -788.070237 where: bonds (distance) C4'-P energy: -147.106 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -163.511 flat angles P-C4'-P energy: -130.887 tors. eta vs tors. theta energy: -205.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2479.030481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.030481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.030481 (E_RNA) where: Base-Base interactions energy: -1680.714 where: short stacking energy: -745.316 Base-Backbone interact. energy: -1.636 local terms energy: -796.680210 where: bonds (distance) C4'-P energy: -142.702 bonds (distance) P-C4' energy: -147.723 flat angles C4'-P-C4' energy: -171.685 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -227.091 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: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2318.000095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.000095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.000095 (E_RNA) where: Base-Base interactions energy: -1610.460 where: short stacking energy: -679.266 Base-Backbone interact. energy: -2.276 local terms energy: -705.263747 where: bonds (distance) C4'-P energy: -125.193 bonds (distance) P-C4' energy: -127.617 flat angles C4'-P-C4' energy: -161.554 flat angles P-C4'-P energy: -112.266 tors. eta vs tors. theta energy: -178.634 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: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2127.445169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.445169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.445169 (E_RNA) where: Base-Base interactions energy: -1429.513 where: short stacking energy: -625.030 Base-Backbone interact. energy: -3.338 local terms energy: -694.594137 where: bonds (distance) C4'-P energy: -121.500 bonds (distance) P-C4' energy: -132.877 flat angles C4'-P-C4' energy: -165.382 flat angles P-C4'-P energy: -95.597 tors. eta vs tors. theta energy: -179.237 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: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2040.306861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.306861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.306861 (E_RNA) where: Base-Base interactions energy: -1380.164 where: short stacking energy: -615.793 Base-Backbone interact. energy: -1.478 local terms energy: -658.665234 where: bonds (distance) C4'-P energy: -131.249 bonds (distance) P-C4' energy: -128.412 flat angles C4'-P-C4' energy: -133.706 flat angles P-C4'-P energy: -90.621 tors. eta vs tors. theta energy: -174.677 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1664.968016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.968016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.968016 (E_RNA) where: Base-Base interactions energy: -1062.245 where: short stacking energy: -493.182 Base-Backbone interact. energy: -3.839 local terms energy: -598.884048 where: bonds (distance) C4'-P energy: -131.642 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -139.060 flat angles P-C4'-P energy: -84.510 tors. eta vs tors. theta energy: -118.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1566.809788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.809788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.809788 (E_RNA) where: Base-Base interactions energy: -1015.799 where: short stacking energy: -432.571 Base-Backbone interact. energy: 2.611 local terms energy: -553.622712 where: bonds (distance) C4'-P energy: -109.592 bonds (distance) P-C4' energy: -144.558 flat angles C4'-P-C4' energy: -125.025 flat angles P-C4'-P energy: -83.118 tors. eta vs tors. theta energy: -91.330 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: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1249.696440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.696440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.696440 (E_RNA) where: Base-Base interactions energy: -765.131 where: short stacking energy: -340.126 Base-Backbone interact. energy: -1.756 local terms energy: -482.809639 where: bonds (distance) C4'-P energy: -112.409 bonds (distance) P-C4' energy: -133.447 flat angles C4'-P-C4' energy: -114.743 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -49.869 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: 310 Temperature: 1.350000 Total energy: -968.176438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.176438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.176438 (E_RNA) where: Base-Base interactions energy: -569.538 where: short stacking energy: -299.859 Base-Backbone interact. energy: -0.834 local terms energy: -397.803917 where: bonds (distance) C4'-P energy: -98.800 bonds (distance) P-C4' energy: -114.328 flat angles C4'-P-C4' energy: -105.421 flat angles P-C4'-P energy: -69.216 tors. eta vs tors. theta energy: -10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2671.919747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.919747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.919747 (E_RNA) where: Base-Base interactions energy: -1850.138 where: short stacking energy: -803.242 Base-Backbone interact. energy: -1.536 local terms energy: -820.246034 where: bonds (distance) C4'-P energy: -150.988 bonds (distance) P-C4' energy: -165.568 flat angles C4'-P-C4' energy: -165.970 flat angles P-C4'-P energy: -127.630 tors. eta vs tors. theta energy: -210.089 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: 311 Temperature: 0.950000 Total energy: -2649.635893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.635893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.635893 (E_RNA) where: Base-Base interactions energy: -1867.954 where: short stacking energy: -756.973 Base-Backbone interact. energy: -5.163 local terms energy: -776.518764 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -145.142 flat angles C4'-P-C4' energy: -169.994 flat angles P-C4'-P energy: -116.733 tors. eta vs tors. theta energy: -211.687 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: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2459.357984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.357984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.357984 (E_RNA) where: Base-Base interactions energy: -1675.396 where: short stacking energy: -719.348 Base-Backbone interact. energy: -6.113 local terms energy: -777.849032 where: bonds (distance) C4'-P energy: -150.011 bonds (distance) P-C4' energy: -129.491 flat angles C4'-P-C4' energy: -171.590 flat angles P-C4'-P energy: -109.438 tors. eta vs tors. theta energy: -217.320 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: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2324.566967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.566967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.566967 (E_RNA) where: Base-Base interactions energy: -1649.670 where: short stacking energy: -668.160 Base-Backbone interact. energy: -2.423 local terms energy: -672.474112 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -137.396 flat angles C4'-P-C4' energy: -149.363 flat angles P-C4'-P energy: -80.101 tors. eta vs tors. theta energy: -183.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2129.072237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.072237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.072237 (E_RNA) where: Base-Base interactions energy: -1408.398 where: short stacking energy: -623.932 Base-Backbone interact. energy: -2.862 local terms energy: -717.811633 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -159.003 flat angles P-C4'-P energy: -98.234 tors. eta vs tors. theta energy: -176.840 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: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2035.002676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.002676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.002676 (E_RNA) where: Base-Base interactions energy: -1375.211 where: short stacking energy: -611.003 Base-Backbone interact. energy: -1.082 local terms energy: -658.709904 where: bonds (distance) C4'-P energy: -120.933 bonds (distance) P-C4' energy: -130.600 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -168.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1656.148566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.148566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.148566 (E_RNA) where: Base-Base interactions energy: -1080.380 where: short stacking energy: -463.114 Base-Backbone interact. energy: -0.890 local terms energy: -574.878516 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -141.513 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -101.136 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: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1512.332793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.332793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.332793 (E_RNA) where: Base-Base interactions energy: -1007.574 where: short stacking energy: -457.151 Base-Backbone interact. energy: -3.405 local terms energy: -501.353485 where: bonds (distance) C4'-P energy: -101.829 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -122.007 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: -99.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1207.774953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.774953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.774953 (E_RNA) where: Base-Base interactions energy: -729.042 where: short stacking energy: -331.508 Base-Backbone interact. energy: 2.042 local terms energy: -480.774599 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -119.018 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -45.279 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: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -943.850911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.850911 (E_RNA) where: Base-Base interactions energy: -569.995 where: short stacking energy: -309.292 Base-Backbone interact. energy: -2.431 local terms energy: -371.424746 where: bonds (distance) C4'-P energy: -94.710 bonds (distance) P-C4' energy: -120.093 flat angles C4'-P-C4' energy: -79.659 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2661.463119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.463119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.463119 (E_RNA) where: Base-Base interactions energy: -1856.256 where: short stacking energy: -784.100 Base-Backbone interact. energy: -3.369 local terms energy: -801.838572 where: bonds (distance) C4'-P energy: -137.220 bonds (distance) P-C4' energy: -148.714 flat angles C4'-P-C4' energy: -174.490 flat angles P-C4'-P energy: -122.416 tors. eta vs tors. theta energy: -218.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2635.624790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.624790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.624790 (E_RNA) where: Base-Base interactions energy: -1866.869 where: short stacking energy: -761.308 Base-Backbone interact. energy: -3.187 local terms energy: -765.569375 where: bonds (distance) C4'-P energy: -134.261 bonds (distance) P-C4' energy: -142.167 flat angles C4'-P-C4' energy: -168.744 flat angles P-C4'-P energy: -114.148 tors. eta vs tors. theta energy: -206.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2460.365353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.365353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.365353 (E_RNA) where: Base-Base interactions energy: -1689.287 where: short stacking energy: -755.926 Base-Backbone interact. energy: -4.728 local terms energy: -766.350622 where: bonds (distance) C4'-P energy: -117.588 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -174.028 flat angles P-C4'-P energy: -101.491 tors. eta vs tors. theta energy: -229.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2310.595420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.595420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.595420 (E_RNA) where: Base-Base interactions energy: -1589.771 where: short stacking energy: -660.145 Base-Backbone interact. energy: -1.785 local terms energy: -719.039418 where: bonds (distance) C4'-P energy: -124.061 bonds (distance) P-C4' energy: -135.397 flat angles C4'-P-C4' energy: -160.578 flat angles P-C4'-P energy: -109.816 tors. eta vs tors. theta energy: -189.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2127.779539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.779539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.779539 (E_RNA) where: Base-Base interactions energy: -1453.322 where: short stacking energy: -599.551 Base-Backbone interact. energy: -3.729 local terms energy: -670.728480 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -135.300 flat angles C4'-P-C4' energy: -135.859 flat angles P-C4'-P energy: -98.988 tors. eta vs tors. theta energy: -180.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2066.486367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.486367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.486367 (E_RNA) where: Base-Base interactions energy: -1385.731 where: short stacking energy: -580.172 Base-Backbone interact. energy: -2.018 local terms energy: -678.737676 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -142.846 flat angles C4'-P-C4' energy: -134.368 flat angles P-C4'-P energy: -108.544 tors. eta vs tors. theta energy: -159.430 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: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1716.658451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.658451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.658451 (E_RNA) where: Base-Base interactions energy: -1114.945 where: short stacking energy: -476.428 Base-Backbone interact. energy: -2.875 local terms energy: -598.838214 where: bonds (distance) C4'-P energy: -120.001 bonds (distance) P-C4' energy: -157.245 flat angles C4'-P-C4' energy: -142.443 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -110.450 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: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1511.181710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.181710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.181710 (E_RNA) where: Base-Base interactions energy: -997.410 where: short stacking energy: -439.849 Base-Backbone interact. energy: -0.575 local terms energy: -513.197081 where: bonds (distance) C4'-P energy: -110.343 bonds (distance) P-C4' energy: -96.300 flat angles C4'-P-C4' energy: -128.621 flat angles P-C4'-P energy: -82.471 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: 312 Temperature: 1.300000 Total energy: -1048.791797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.791797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.791797 (E_RNA) where: Base-Base interactions energy: -593.103 where: short stacking energy: -282.046 Base-Backbone interact. energy: -0.166 local terms energy: -455.523271 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -133.001 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -22.892 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: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1137.646455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.646455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.646455 (E_RNA) where: Base-Base interactions energy: -710.520 where: short stacking energy: -331.720 Base-Backbone interact. energy: -2.851 local terms energy: -424.275685 where: bonds (distance) C4'-P energy: -101.079 bonds (distance) P-C4' energy: -114.496 flat angles C4'-P-C4' energy: -115.450 flat angles P-C4'-P energy: -59.565 tors. eta vs tors. theta energy: -33.685 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: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2675.731064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.731064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.731064 (E_RNA) where: Base-Base interactions energy: -1861.000 where: short stacking energy: -791.034 Base-Backbone interact. energy: -0.817 local terms energy: -813.914111 where: bonds (distance) C4'-P energy: -141.863 bonds (distance) P-C4' energy: -163.494 flat angles C4'-P-C4' energy: -166.734 flat angles P-C4'-P energy: -126.491 tors. eta vs tors. theta energy: -215.332 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: 313 Temperature: 0.950000 Total energy: -2644.652836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.652836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.652836 (E_RNA) where: Base-Base interactions energy: -1875.022 where: short stacking energy: -760.346 Base-Backbone interact. energy: 5.570 local terms energy: -775.201001 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -151.049 flat angles C4'-P-C4' energy: -161.774 flat angles P-C4'-P energy: -108.358 tors. eta vs tors. theta energy: -216.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2471.893944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.893944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.893944 (E_RNA) where: Base-Base interactions energy: -1673.470 where: short stacking energy: -728.859 Base-Backbone interact. energy: 6.166 local terms energy: -804.589746 where: bonds (distance) C4'-P energy: -140.139 bonds (distance) P-C4' energy: -147.936 flat angles C4'-P-C4' energy: -170.995 flat angles P-C4'-P energy: -117.842 tors. eta vs tors. theta energy: -227.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2365.499276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.499276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.499276 (E_RNA) where: Base-Base interactions energy: -1626.158 where: short stacking energy: -667.937 Base-Backbone interact. energy: 0.475 local terms energy: -739.816588 where: bonds (distance) C4'-P energy: -127.238 bonds (distance) P-C4' energy: -142.680 flat angles C4'-P-C4' energy: -160.917 flat angles P-C4'-P energy: -102.172 tors. eta vs tors. theta energy: -206.809 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: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2138.083861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.083861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.083861 (E_RNA) where: Base-Base interactions energy: -1444.084 where: short stacking energy: -616.596 Base-Backbone interact. energy: -3.559 local terms energy: -690.440606 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -118.982 flat angles C4'-P-C4' energy: -157.763 flat angles P-C4'-P energy: -108.226 tors. eta vs tors. theta energy: -180.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2045.236423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.236423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.236423 (E_RNA) where: Base-Base interactions energy: -1404.509 where: short stacking energy: -576.368 Base-Backbone interact. energy: 0.898 local terms energy: -641.625295 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -124.134 flat angles C4'-P-C4' energy: -146.335 flat angles P-C4'-P energy: -92.798 tors. eta vs tors. theta energy: -142.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1746.820278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.820278 (E_RNA) where: Base-Base interactions energy: -1135.199 where: short stacking energy: -498.980 Base-Backbone interact. energy: -1.707 local terms energy: -609.914142 where: bonds (distance) C4'-P energy: -127.990 bonds (distance) P-C4' energy: -134.315 flat angles C4'-P-C4' energy: -147.616 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -121.930 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: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1537.857261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.857261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.857261 (E_RNA) where: Base-Base interactions energy: -984.844 where: short stacking energy: -441.333 Base-Backbone interact. energy: 2.068 local terms energy: -555.081220 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -126.236 flat angles C4'-P-C4' energy: -135.307 flat angles P-C4'-P energy: -86.182 tors. eta vs tors. theta energy: -95.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1064.548744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.548744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.548744 (E_RNA) where: Base-Base interactions energy: -612.150 where: short stacking energy: -313.026 Base-Backbone interact. energy: -2.226 local terms energy: -450.173263 where: bonds (distance) C4'-P energy: -115.943 bonds (distance) P-C4' energy: -122.543 flat angles C4'-P-C4' energy: -113.720 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -24.702 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: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1149.812279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.812279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.812279 (E_RNA) where: Base-Base interactions energy: -703.823 where: short stacking energy: -320.588 Base-Backbone interact. energy: 3.532 local terms energy: -449.521480 where: bonds (distance) C4'-P energy: -123.794 bonds (distance) P-C4' energy: -115.106 flat angles C4'-P-C4' energy: -114.209 flat angles P-C4'-P energy: -69.325 tors. eta vs tors. theta energy: -27.086 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: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2684.835084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.835084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.835084 (E_RNA) where: Base-Base interactions energy: -1878.695 where: short stacking energy: -776.607 Base-Backbone interact. energy: -4.248 local terms energy: -801.892633 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -148.821 flat angles C4'-P-C4' energy: -174.988 flat angles P-C4'-P energy: -124.566 tors. eta vs tors. theta energy: -214.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2638.853422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.853422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.853422 (E_RNA) where: Base-Base interactions energy: -1835.176 where: short stacking energy: -771.391 Base-Backbone interact. energy: -1.843 local terms energy: -801.834177 where: bonds (distance) C4'-P energy: -143.922 bonds (distance) P-C4' energy: -148.929 flat angles C4'-P-C4' energy: -163.173 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -220.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2499.165707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.165707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.165707 (E_RNA) where: Base-Base interactions energy: -1736.232 where: short stacking energy: -758.045 Base-Backbone interact. energy: -3.123 local terms energy: -759.810297 where: bonds (distance) C4'-P energy: -125.970 bonds (distance) P-C4' energy: -144.242 flat angles C4'-P-C4' energy: -164.505 flat angles P-C4'-P energy: -99.420 tors. eta vs tors. theta energy: -225.674 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: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2325.943155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.943155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.943155 (E_RNA) where: Base-Base interactions energy: -1567.033 where: short stacking energy: -674.602 Base-Backbone interact. energy: -1.430 local terms energy: -757.480082 where: bonds (distance) C4'-P energy: -154.911 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -113.113 tors. eta vs tors. theta energy: -189.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2156.843482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.843482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.843482 (E_RNA) where: Base-Base interactions energy: -1447.476 where: short stacking energy: -624.537 Base-Backbone interact. energy: -4.121 local terms energy: -705.247019 where: bonds (distance) C4'-P energy: -123.041 bonds (distance) P-C4' energy: -146.149 flat angles C4'-P-C4' energy: -147.868 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -191.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1967.006501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.006501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.006501 (E_RNA) where: Base-Base interactions energy: -1337.903 where: short stacking energy: -584.267 Base-Backbone interact. energy: 0.658 local terms energy: -629.762173 where: bonds (distance) C4'-P energy: -136.030 bonds (distance) P-C4' energy: -109.840 flat angles C4'-P-C4' energy: -142.011 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -159.607 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: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1780.930162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.930162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.930162 (E_RNA) where: Base-Base interactions energy: -1168.054 where: short stacking energy: -505.982 Base-Backbone interact. energy: 4.330 local terms energy: -617.206346 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -131.569 flat angles C4'-P-C4' energy: -130.091 flat angles P-C4'-P energy: -84.831 tors. eta vs tors. theta energy: -143.989 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1476.768992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.768992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.768992 (E_RNA) where: Base-Base interactions energy: -929.809 where: short stacking energy: -424.059 Base-Backbone interact. energy: -1.430 local terms energy: -545.530650 where: bonds (distance) C4'-P energy: -134.446 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -124.053 flat angles P-C4'-P energy: -78.151 tors. eta vs tors. theta energy: -82.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1240.257140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.257140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.257140 (E_RNA) where: Base-Base interactions energy: -742.264 where: short stacking energy: -307.155 Base-Backbone interact. energy: -1.389 local terms energy: -496.604725 where: bonds (distance) C4'-P energy: -127.363 bonds (distance) P-C4' energy: -133.083 flat angles C4'-P-C4' energy: -100.826 flat angles P-C4'-P energy: -85.560 tors. eta vs tors. theta energy: -49.772 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: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -961.328192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.328192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.328192 (E_RNA) where: Base-Base interactions energy: -535.065 where: short stacking energy: -286.795 Base-Backbone interact. energy: 0.496 local terms energy: -426.759430 where: bonds (distance) C4'-P energy: -112.432 bonds (distance) P-C4' energy: -118.756 flat angles C4'-P-C4' energy: -112.015 flat angles P-C4'-P energy: -57.571 tors. eta vs tors. theta energy: -25.984 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: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2715.798515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.798515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.798515 (E_RNA) where: Base-Base interactions energy: -1914.282 where: short stacking energy: -782.679 Base-Backbone interact. energy: -3.964 local terms energy: -797.553067 where: bonds (distance) C4'-P energy: -139.665 bonds (distance) P-C4' energy: -141.277 flat angles C4'-P-C4' energy: -169.491 flat angles P-C4'-P energy: -120.560 tors. eta vs tors. theta energy: -226.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2632.744928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.744928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.744928 (E_RNA) where: Base-Base interactions energy: -1820.871 where: short stacking energy: -788.698 Base-Backbone interact. energy: -2.303 local terms energy: -809.571119 where: bonds (distance) C4'-P energy: -147.609 bonds (distance) P-C4' energy: -146.881 flat angles C4'-P-C4' energy: -166.205 flat angles P-C4'-P energy: -118.776 tors. eta vs tors. theta energy: -230.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2459.027832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.027832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.027832 (E_RNA) where: Base-Base interactions energy: -1698.419 where: short stacking energy: -750.962 Base-Backbone interact. energy: -1.418 local terms energy: -759.190602 where: bonds (distance) C4'-P energy: -121.741 bonds (distance) P-C4' energy: -147.005 flat angles C4'-P-C4' energy: -167.551 flat angles P-C4'-P energy: -98.216 tors. eta vs tors. theta energy: -224.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2339.847352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.847352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.847352 (E_RNA) where: Base-Base interactions energy: -1635.192 where: short stacking energy: -681.616 Base-Backbone interact. energy: -1.830 local terms energy: -702.825259 where: bonds (distance) C4'-P energy: -121.891 bonds (distance) P-C4' energy: -128.697 flat angles C4'-P-C4' energy: -146.184 flat angles P-C4'-P energy: -107.716 tors. eta vs tors. theta energy: -198.338 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: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2203.469942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.469942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.469942 (E_RNA) where: Base-Base interactions energy: -1453.306 where: short stacking energy: -664.497 Base-Backbone interact. energy: -3.242 local terms energy: -746.921963 where: bonds (distance) C4'-P energy: -135.884 bonds (distance) P-C4' energy: -141.089 flat angles C4'-P-C4' energy: -157.438 flat angles P-C4'-P energy: -100.180 tors. eta vs tors. theta energy: -212.331 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: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2024.580314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.580314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.580314 (E_RNA) where: Base-Base interactions energy: -1350.602 where: short stacking energy: -595.551 Base-Backbone interact. energy: 0.930 local terms energy: -674.907703 where: bonds (distance) C4'-P energy: -136.703 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -154.890 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: -170.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1736.139678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.139678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.139678 (E_RNA) where: Base-Base interactions energy: -1139.706 where: short stacking energy: -510.183 Base-Backbone interact. energy: 1.241 local terms energy: -597.674264 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -146.678 flat angles C4'-P-C4' energy: -128.291 flat angles P-C4'-P energy: -86.298 tors. eta vs tors. theta energy: -111.233 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1503.414126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.414126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.414126 (E_RNA) where: Base-Base interactions energy: -951.584 where: short stacking energy: -419.213 Base-Backbone interact. energy: -0.182 local terms energy: -551.648654 where: bonds (distance) C4'-P energy: -112.739 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -73.038 tors. eta vs tors. theta energy: -85.271 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: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1242.538406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.538406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.538406 (E_RNA) where: Base-Base interactions energy: -782.784 where: short stacking energy: -365.906 Base-Backbone interact. energy: -2.701 local terms energy: -457.053297 where: bonds (distance) C4'-P energy: -110.473 bonds (distance) P-C4' energy: -121.273 flat angles C4'-P-C4' energy: -113.389 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -56.799 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: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -990.788635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.788635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.788635 (E_RNA) where: Base-Base interactions energy: -560.498 where: short stacking energy: -264.866 Base-Backbone interact. energy: 1.027 local terms energy: -431.317846 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -110.607 flat angles C4'-P-C4' energy: -113.138 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -16.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2729.199264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.199264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.199264 (E_RNA) where: Base-Base interactions energy: -1918.705 where: short stacking energy: -771.441 Base-Backbone interact. energy: -2.891 local terms energy: -807.603077 where: bonds (distance) C4'-P energy: -151.553 bonds (distance) P-C4' energy: -144.177 flat angles C4'-P-C4' energy: -171.696 flat angles P-C4'-P energy: -124.539 tors. eta vs tors. theta energy: -215.638 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: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2652.038535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.038535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.038535 (E_RNA) where: Base-Base interactions energy: -1860.367 where: short stacking energy: -815.708 Base-Backbone interact. energy: -3.150 local terms energy: -788.521266 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -149.885 flat angles C4'-P-C4' energy: -161.130 flat angles P-C4'-P energy: -109.949 tors. eta vs tors. theta energy: -238.032 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: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2465.547282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.547282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.547282 (E_RNA) where: Base-Base interactions energy: -1674.023 where: short stacking energy: -769.348 Base-Backbone interact. energy: -6.025 local terms energy: -785.498933 where: bonds (distance) C4'-P energy: -137.802 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -162.890 flat angles P-C4'-P energy: -103.635 tors. eta vs tors. theta energy: -224.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2355.343708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.343708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.343708 (E_RNA) where: Base-Base interactions energy: -1663.379 where: short stacking energy: -684.495 Base-Backbone interact. energy: -4.822 local terms energy: -687.142597 where: bonds (distance) C4'-P energy: -154.869 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -153.480 flat angles P-C4'-P energy: -82.414 tors. eta vs tors. theta energy: -168.044 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: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2190.839483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.839483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.839483 (E_RNA) where: Base-Base interactions energy: -1467.885 where: short stacking energy: -666.158 Base-Backbone interact. energy: -1.053 local terms energy: -721.901829 where: bonds (distance) C4'-P energy: -141.532 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -153.940 flat angles P-C4'-P energy: -85.899 tors. eta vs tors. theta energy: -200.255 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: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2027.893638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.893638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.893638 (E_RNA) where: Base-Base interactions energy: -1374.505 where: short stacking energy: -571.551 Base-Backbone interact. energy: -4.888 local terms energy: -648.500012 where: bonds (distance) C4'-P energy: -117.036 bonds (distance) P-C4' energy: -128.986 flat angles C4'-P-C4' energy: -143.603 flat angles P-C4'-P energy: -113.971 tors. eta vs tors. theta energy: -144.904 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: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1718.746240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.746240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.746240 (E_RNA) where: Base-Base interactions energy: -1138.564 where: short stacking energy: -481.425 Base-Backbone interact. energy: -4.079 local terms energy: -576.103863 where: bonds (distance) C4'-P energy: -115.688 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -94.751 tors. eta vs tors. theta energy: -108.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1512.755276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.755276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.755276 (E_RNA) where: Base-Base interactions energy: -991.453 where: short stacking energy: -414.001 Base-Backbone interact. energy: -3.139 local terms energy: -518.163573 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -137.612 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -76.261 tors. eta vs tors. theta energy: -78.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1289.242430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.242430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.242430 (E_RNA) where: Base-Base interactions energy: -790.162 where: short stacking energy: -361.352 Base-Backbone interact. energy: -0.965 local terms energy: -498.115521 where: bonds (distance) C4'-P energy: -122.854 bonds (distance) P-C4' energy: -142.012 flat angles C4'-P-C4' energy: -116.667 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -60.410 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: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -954.692921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.692921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.692921 (E_RNA) where: Base-Base interactions energy: -556.814 where: short stacking energy: -276.435 Base-Backbone interact. energy: 4.720 local terms energy: -402.598882 where: bonds (distance) C4'-P energy: -99.277 bonds (distance) P-C4' energy: -120.190 flat angles C4'-P-C4' energy: -118.817 flat angles P-C4'-P energy: -63.868 tors. eta vs tors. theta energy: -0.446 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: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2751.048988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.048988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.048988 (E_RNA) where: Base-Base interactions energy: -1935.168 where: short stacking energy: -792.727 Base-Backbone interact. energy: -5.175 local terms energy: -810.706083 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -174.372 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -226.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2630.220024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.220024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.220024 (E_RNA) where: Base-Base interactions energy: -1838.193 where: short stacking energy: -791.216 Base-Backbone interact. energy: -3.215 local terms energy: -788.812386 where: bonds (distance) C4'-P energy: -146.545 bonds (distance) P-C4' energy: -152.412 flat angles C4'-P-C4' energy: -157.329 flat angles P-C4'-P energy: -102.215 tors. eta vs tors. theta energy: -230.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2469.998358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.998358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.998358 (E_RNA) where: Base-Base interactions energy: -1684.826 where: short stacking energy: -733.899 Base-Backbone interact. energy: -1.375 local terms energy: -783.797360 where: bonds (distance) C4'-P energy: -137.022 bonds (distance) P-C4' energy: -151.733 flat angles C4'-P-C4' energy: -165.209 flat angles P-C4'-P energy: -123.113 tors. eta vs tors. theta energy: -206.721 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2320.704885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.704885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.704885 (E_RNA) where: Base-Base interactions energy: -1639.059 where: short stacking energy: -667.708 Base-Backbone interact. energy: 0.068 local terms energy: -681.714745 where: bonds (distance) C4'-P energy: -125.934 bonds (distance) P-C4' energy: -131.324 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -100.950 tors. eta vs tors. theta energy: -183.519 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: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2122.438454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.438454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.438454 (E_RNA) where: Base-Base interactions energy: -1396.923 where: short stacking energy: -637.475 Base-Backbone interact. energy: 0.627 local terms energy: -726.142309 where: bonds (distance) C4'-P energy: -126.974 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -153.269 flat angles P-C4'-P energy: -118.621 tors. eta vs tors. theta energy: -187.230 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1998.996431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.996431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.996431 (E_RNA) where: Base-Base interactions energy: -1356.262 where: short stacking energy: -568.037 Base-Backbone interact. energy: 8.891 local terms energy: -651.625485 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -139.989 flat angles C4'-P-C4' energy: -134.370 flat angles P-C4'-P energy: -91.729 tors. eta vs tors. theta energy: -147.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1765.497338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.497338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.497338 (E_RNA) where: Base-Base interactions energy: -1131.132 where: short stacking energy: -513.919 Base-Backbone interact. energy: -2.140 local terms energy: -632.225360 where: bonds (distance) C4'-P energy: -137.696 bonds (distance) P-C4' energy: -132.277 flat angles C4'-P-C4' energy: -139.237 flat angles P-C4'-P energy: -102.006 tors. eta vs tors. theta energy: -121.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1566.260369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.260369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.260369 (E_RNA) where: Base-Base interactions energy: -1036.850 where: short stacking energy: -459.579 Base-Backbone interact. energy: 0.262 local terms energy: -529.672540 where: bonds (distance) C4'-P energy: -102.073 bonds (distance) P-C4' energy: -124.280 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: -84.347 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: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1286.672210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.672210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.672210 (E_RNA) where: Base-Base interactions energy: -804.900 where: short stacking energy: -360.569 Base-Backbone interact. energy: -1.086 local terms energy: -480.685476 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -65.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -986.292670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.292670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.292670 (E_RNA) where: Base-Base interactions energy: -596.002 where: short stacking energy: -306.255 Base-Backbone interact. energy: 7.054 local terms energy: -397.345571 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -135.068 flat angles C4'-P-C4' energy: -89.830 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2706.167533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.167533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.167533 (E_RNA) where: Base-Base interactions energy: -1903.049 where: short stacking energy: -773.961 Base-Backbone interact. energy: -5.091 local terms energy: -798.027402 where: bonds (distance) C4'-P energy: -142.009 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -164.773 flat angles P-C4'-P energy: -125.082 tors. eta vs tors. theta energy: -215.325 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2615.108369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.108369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.108369 (E_RNA) where: Base-Base interactions energy: -1806.377 where: short stacking energy: -763.683 Base-Backbone interact. energy: -3.155 local terms energy: -805.576232 where: bonds (distance) C4'-P energy: -158.961 bonds (distance) P-C4' energy: -139.524 flat angles C4'-P-C4' energy: -169.858 flat angles P-C4'-P energy: -103.606 tors. eta vs tors. theta energy: -233.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2498.381551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.381551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.381551 (E_RNA) where: Base-Base interactions energy: -1717.816 where: short stacking energy: -780.505 Base-Backbone interact. energy: -0.709 local terms energy: -779.856603 where: bonds (distance) C4'-P energy: -137.805 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -169.997 flat angles P-C4'-P energy: -109.612 tors. eta vs tors. theta energy: -225.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2356.523167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.523167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.523167 (E_RNA) where: Base-Base interactions energy: -1636.998 where: short stacking energy: -681.922 Base-Backbone interact. energy: -3.107 local terms energy: -716.418000 where: bonds (distance) C4'-P energy: -138.945 bonds (distance) P-C4' energy: -124.051 flat angles C4'-P-C4' energy: -161.207 flat angles P-C4'-P energy: -106.503 tors. eta vs tors. theta energy: -185.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2125.786104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.786104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.786104 (E_RNA) where: Base-Base interactions energy: -1410.024 where: short stacking energy: -632.720 Base-Backbone interact. energy: -5.502 local terms energy: -710.260405 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -120.740 flat angles C4'-P-C4' energy: -167.487 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -192.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1983.841406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.841406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.841406 (E_RNA) where: Base-Base interactions energy: -1331.169 where: short stacking energy: -572.669 Base-Backbone interact. energy: -0.616 local terms energy: -652.056150 where: bonds (distance) C4'-P energy: -103.643 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -150.548 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -152.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1776.790048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.790048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.790048 (E_RNA) where: Base-Base interactions energy: -1173.856 where: short stacking energy: -513.973 Base-Backbone interact. energy: -0.497 local terms energy: -602.437477 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -130.954 flat angles C4'-P-C4' energy: -125.794 flat angles P-C4'-P energy: -86.365 tors. eta vs tors. theta energy: -127.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1463.429716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.429716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.429716 (E_RNA) where: Base-Base interactions energy: -957.864 where: short stacking energy: -411.671 Base-Backbone interact. energy: -3.486 local terms energy: -502.079277 where: bonds (distance) C4'-P energy: -115.274 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -75.991 tors. eta vs tors. theta energy: -68.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1311.241185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.241185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.241185 (E_RNA) where: Base-Base interactions energy: -821.637 where: short stacking energy: -361.563 Base-Backbone interact. energy: -3.916 local terms energy: -485.688479 where: bonds (distance) C4'-P energy: -107.026 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -125.829 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -58.627 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: 318 Temperature: 1.350000 Total energy: -1053.927353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.927353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.927353 (E_RNA) where: Base-Base interactions energy: -607.646 where: short stacking energy: -291.181 Base-Backbone interact. energy: -0.874 local terms energy: -445.407034 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -121.768 flat angles P-C4'-P energy: -59.103 tors. eta vs tors. theta energy: -40.060 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: 319 Temperature: 0.900000 Total energy: -2742.215711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.215711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.215711 (E_RNA) where: Base-Base interactions energy: -1920.430 where: short stacking energy: -776.283 Base-Backbone interact. energy: -5.127 local terms energy: -816.658918 where: bonds (distance) C4'-P energy: -143.601 bonds (distance) P-C4' energy: -152.292 flat angles C4'-P-C4' energy: -171.744 flat angles P-C4'-P energy: -122.017 tors. eta vs tors. theta energy: -227.006 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: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2616.873334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.873334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.873334 (E_RNA) where: Base-Base interactions energy: -1811.737 where: short stacking energy: -786.280 Base-Backbone interact. energy: -1.529 local terms energy: -803.607711 where: bonds (distance) C4'-P energy: -141.564 bonds (distance) P-C4' energy: -140.162 flat angles C4'-P-C4' energy: -168.590 flat angles P-C4'-P energy: -117.354 tors. eta vs tors. theta energy: -235.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2471.077311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.077311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.077311 (E_RNA) where: Base-Base interactions energy: -1706.283 where: short stacking energy: -748.949 Base-Backbone interact. energy: -3.940 local terms energy: -760.853746 where: bonds (distance) C4'-P energy: -134.587 bonds (distance) P-C4' energy: -136.121 flat angles C4'-P-C4' energy: -170.932 flat angles P-C4'-P energy: -102.433 tors. eta vs tors. theta energy: -216.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2349.584257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.584257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.584257 (E_RNA) where: Base-Base interactions energy: -1639.688 where: short stacking energy: -682.003 Base-Backbone interact. energy: 4.604 local terms energy: -714.500158 where: bonds (distance) C4'-P energy: -149.748 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -94.564 tors. eta vs tors. theta energy: -184.047 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: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2155.492254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.492254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.492254 (E_RNA) where: Base-Base interactions energy: -1457.461 where: short stacking energy: -672.760 Base-Backbone interact. energy: 1.667 local terms energy: -699.698406 where: bonds (distance) C4'-P energy: -142.120 bonds (distance) P-C4' energy: -122.518 flat angles C4'-P-C4' energy: -143.287 flat angles P-C4'-P energy: -95.204 tors. eta vs tors. theta energy: -196.569 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: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1982.871402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.871402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.871402 (E_RNA) where: Base-Base interactions energy: -1396.724 where: short stacking energy: -612.562 Base-Backbone interact. energy: -2.721 local terms energy: -583.426411 where: bonds (distance) C4'-P energy: -102.903 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -122.032 flat angles P-C4'-P energy: -77.042 tors. eta vs tors. theta energy: -152.849 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: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1709.349016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.349016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.349016 (E_RNA) where: Base-Base interactions energy: -1156.695 where: short stacking energy: -463.632 Base-Backbone interact. energy: 0.742 local terms energy: -553.395338 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -108.060 flat angles P-C4'-P energy: -64.731 tors. eta vs tors. theta energy: -120.229 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: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1350.998653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.998653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.998653 (E_RNA) where: Base-Base interactions energy: -852.665 where: short stacking energy: -404.068 Base-Backbone interact. energy: 2.535 local terms energy: -500.868406 where: bonds (distance) C4'-P energy: -104.658 bonds (distance) P-C4' energy: -130.371 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -84.632 tors. eta vs tors. theta energy: -62.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1383.652246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.652246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.652246 (E_RNA) where: Base-Base interactions energy: -885.659 where: short stacking energy: -407.593 Base-Backbone interact. energy: 4.856 local terms energy: -502.848524 where: bonds (distance) C4'-P energy: -105.583 bonds (distance) P-C4' energy: -115.180 flat angles C4'-P-C4' energy: -111.096 flat angles P-C4'-P energy: -87.275 tors. eta vs tors. theta energy: -83.715 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: 319 Temperature: 1.350000 Total energy: -1073.848616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.848616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.848616 (E_RNA) where: Base-Base interactions energy: -647.546 where: short stacking energy: -310.427 Base-Backbone interact. energy: -3.869 local terms energy: -422.434218 where: bonds (distance) C4'-P energy: -116.029 bonds (distance) P-C4' energy: -117.700 flat angles C4'-P-C4' energy: -107.217 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -17.963 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: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2698.674048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.674048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.674048 (E_RNA) where: Base-Base interactions energy: -1899.535 where: short stacking energy: -753.316 Base-Backbone interact. energy: 4.058 local terms energy: -803.197839 where: bonds (distance) C4'-P energy: -138.053 bonds (distance) P-C4' energy: -156.839 flat angles C4'-P-C4' energy: -171.366 flat angles P-C4'-P energy: -127.027 tors. eta vs tors. theta energy: -209.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2636.286307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.286307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.286307 (E_RNA) where: Base-Base interactions energy: -1814.999 where: short stacking energy: -790.217 Base-Backbone interact. energy: -1.094 local terms energy: -820.192867 where: bonds (distance) C4'-P energy: -150.597 bonds (distance) P-C4' energy: -147.849 flat angles C4'-P-C4' energy: -173.370 flat angles P-C4'-P energy: -108.788 tors. eta vs tors. theta energy: -239.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2453.038083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.038083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.038083 (E_RNA) where: Base-Base interactions energy: -1677.931 where: short stacking energy: -723.968 Base-Backbone interact. energy: -1.268 local terms energy: -773.839156 where: bonds (distance) C4'-P energy: -132.235 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -175.667 flat angles P-C4'-P energy: -115.883 tors. eta vs tors. theta energy: -207.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2378.001367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.001367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.001367 (E_RNA) where: Base-Base interactions energy: -1641.365 where: short stacking energy: -684.401 Base-Backbone interact. energy: -3.858 local terms energy: -732.778913 where: bonds (distance) C4'-P energy: -135.338 bonds (distance) P-C4' energy: -145.383 flat angles C4'-P-C4' energy: -155.674 flat angles P-C4'-P energy: -96.769 tors. eta vs tors. theta energy: -199.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2155.848243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.848243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.848243 (E_RNA) where: Base-Base interactions energy: -1452.042 where: short stacking energy: -639.772 Base-Backbone interact. energy: -1.192 local terms energy: -702.614303 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -134.965 flat angles C4'-P-C4' energy: -140.452 flat angles P-C4'-P energy: -94.873 tors. eta vs tors. theta energy: -189.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1993.463464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.463464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.463464 (E_RNA) where: Base-Base interactions energy: -1349.223 where: short stacking energy: -555.437 Base-Backbone interact. energy: 1.624 local terms energy: -645.864915 where: bonds (distance) C4'-P energy: -140.709 bonds (distance) P-C4' energy: -127.993 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -89.848 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1761.372607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.372607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.372607 (E_RNA) where: Base-Base interactions energy: -1136.077 where: short stacking energy: -509.398 Base-Backbone interact. energy: 2.303 local terms energy: -627.598580 where: bonds (distance) C4'-P energy: -134.858 bonds (distance) P-C4' energy: -131.803 flat angles C4'-P-C4' energy: -145.233 flat angles P-C4'-P energy: -93.477 tors. eta vs tors. theta energy: -122.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1372.349553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.349553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.349553 (E_RNA) where: Base-Base interactions energy: -881.793 where: short stacking energy: -389.815 Base-Backbone interact. energy: -5.105 local terms energy: -485.451426 where: bonds (distance) C4'-P energy: -87.974 bonds (distance) P-C4' energy: -113.446 flat angles C4'-P-C4' energy: -119.978 flat angles P-C4'-P energy: -86.010 tors. eta vs tors. theta energy: -78.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1390.502057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.502057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.502057 (E_RNA) where: Base-Base interactions energy: -929.434 where: short stacking energy: -403.908 Base-Backbone interact. energy: -2.999 local terms energy: -458.068731 where: bonds (distance) C4'-P energy: -118.670 bonds (distance) P-C4' energy: -116.774 flat angles C4'-P-C4' energy: -109.070 flat angles P-C4'-P energy: -56.079 tors. eta vs tors. theta energy: -57.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1066.537408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.537408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.537408 (E_RNA) where: Base-Base interactions energy: -616.180 where: short stacking energy: -300.799 Base-Backbone interact. energy: -0.549 local terms energy: -449.808094 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -111.306 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -32.868 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: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2713.232859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.232859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.232859 (E_RNA) where: Base-Base interactions energy: -1918.991 where: short stacking energy: -768.758 Base-Backbone interact. energy: -0.361 local terms energy: -793.880185 where: bonds (distance) C4'-P energy: -152.596 bonds (distance) P-C4' energy: -148.879 flat angles C4'-P-C4' energy: -168.369 flat angles P-C4'-P energy: -103.246 tors. eta vs tors. theta energy: -220.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2608.678286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.678286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.678286 (E_RNA) where: Base-Base interactions energy: -1826.435 where: short stacking energy: -767.563 Base-Backbone interact. energy: -1.266 local terms energy: -780.977257 where: bonds (distance) C4'-P energy: -149.452 bonds (distance) P-C4' energy: -142.833 flat angles C4'-P-C4' energy: -172.315 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -219.887 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2471.525579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.525579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.525579 (E_RNA) where: Base-Base interactions energy: -1690.146 where: short stacking energy: -727.539 Base-Backbone interact. energy: -1.716 local terms energy: -779.663389 where: bonds (distance) C4'-P energy: -148.114 bonds (distance) P-C4' energy: -142.412 flat angles C4'-P-C4' energy: -169.799 flat angles P-C4'-P energy: -104.140 tors. eta vs tors. theta energy: -215.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2375.579592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.579592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.579592 (E_RNA) where: Base-Base interactions energy: -1634.035 where: short stacking energy: -662.062 Base-Backbone interact. energy: -5.320 local terms energy: -736.225114 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -156.904 flat angles C4'-P-C4' energy: -163.169 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -179.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2158.612838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.612838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.612838 (E_RNA) where: Base-Base interactions energy: -1441.667 where: short stacking energy: -638.898 Base-Backbone interact. energy: 1.537 local terms energy: -718.483082 where: bonds (distance) C4'-P energy: -132.224 bonds (distance) P-C4' energy: -124.553 flat angles C4'-P-C4' energy: -162.525 flat angles P-C4'-P energy: -112.823 tors. eta vs tors. theta energy: -186.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1956.764062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.764062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.764062 (E_RNA) where: Base-Base interactions energy: -1296.614 where: short stacking energy: -568.980 Base-Backbone interact. energy: 0.830 local terms energy: -660.980252 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -152.051 flat angles P-C4'-P energy: -101.253 tors. eta vs tors. theta energy: -152.649 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: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1755.100496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.100496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.100496 (E_RNA) where: Base-Base interactions energy: -1133.666 where: short stacking energy: -510.008 Base-Backbone interact. energy: -0.068 local terms energy: -621.367072 where: bonds (distance) C4'-P energy: -138.899 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -131.840 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -134.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1466.929635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.929635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.929635 (E_RNA) where: Base-Base interactions energy: -944.462 where: short stacking energy: -419.749 Base-Backbone interact. energy: -0.479 local terms energy: -521.989222 where: bonds (distance) C4'-P energy: -97.999 bonds (distance) P-C4' energy: -120.425 flat angles C4'-P-C4' energy: -137.310 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -81.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1230.122596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.122596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.122596 (E_RNA) where: Base-Base interactions energy: -757.893 where: short stacking energy: -319.655 Base-Backbone interact. energy: -1.196 local terms energy: -471.033507 where: bonds (distance) C4'-P energy: -119.524 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -116.715 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -36.931 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: 321 Temperature: 1.350000 Total energy: -1054.336018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.336018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.336018 (E_RNA) where: Base-Base interactions energy: -654.674 where: short stacking energy: -324.421 Base-Backbone interact. energy: -0.533 local terms energy: -399.128658 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -109.455 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -22.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2707.608000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.608000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.608000 (E_RNA) where: Base-Base interactions energy: -1903.295 where: short stacking energy: -774.627 Base-Backbone interact. energy: 2.707 local terms energy: -807.020150 where: bonds (distance) C4'-P energy: -139.651 bonds (distance) P-C4' energy: -160.010 flat angles C4'-P-C4' energy: -168.688 flat angles P-C4'-P energy: -119.064 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: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2631.137216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.137216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.137216 (E_RNA) where: Base-Base interactions energy: -1815.799 where: short stacking energy: -760.778 Base-Backbone interact. energy: -4.822 local terms energy: -810.516218 where: bonds (distance) C4'-P energy: -150.481 bonds (distance) P-C4' energy: -146.441 flat angles C4'-P-C4' energy: -164.563 flat angles P-C4'-P energy: -117.192 tors. eta vs tors. theta energy: -231.839 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: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2456.411892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.411892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.411892 (E_RNA) where: Base-Base interactions energy: -1712.818 where: short stacking energy: -729.583 Base-Backbone interact. energy: -2.056 local terms energy: -741.538015 where: bonds (distance) C4'-P energy: -121.757 bonds (distance) P-C4' energy: -149.443 flat angles C4'-P-C4' energy: -169.867 flat angles P-C4'-P energy: -82.580 tors. eta vs tors. theta energy: -217.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2364.551801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.551801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.551801 (E_RNA) where: Base-Base interactions energy: -1657.574 where: short stacking energy: -682.222 Base-Backbone interact. energy: -0.552 local terms energy: -706.426429 where: bonds (distance) C4'-P energy: -126.391 bonds (distance) P-C4' energy: -126.449 flat angles C4'-P-C4' energy: -164.254 flat angles P-C4'-P energy: -106.862 tors. eta vs tors. theta energy: -182.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2111.958915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.958915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.958915 (E_RNA) where: Base-Base interactions energy: -1438.551 where: short stacking energy: -634.890 Base-Backbone interact. energy: -2.205 local terms energy: -671.203122 where: bonds (distance) C4'-P energy: -120.721 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -144.261 flat angles P-C4'-P energy: -80.183 tors. eta vs tors. theta energy: -191.506 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: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2030.241619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.241619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.241619 (E_RNA) where: Base-Base interactions energy: -1401.603 where: short stacking energy: -608.999 Base-Backbone interact. energy: -0.744 local terms energy: -627.895169 where: bonds (distance) C4'-P energy: -124.606 bonds (distance) P-C4' energy: -118.441 flat angles C4'-P-C4' energy: -139.431 flat angles P-C4'-P energy: -83.635 tors. eta vs tors. theta energy: -161.781 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: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1742.949820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.949820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.949820 (E_RNA) where: Base-Base interactions energy: -1151.986 where: short stacking energy: -504.700 Base-Backbone interact. energy: 0.049 local terms energy: -591.012890 where: bonds (distance) C4'-P energy: -103.146 bonds (distance) P-C4' energy: -137.203 flat angles C4'-P-C4' energy: -143.934 flat angles P-C4'-P energy: -82.559 tors. eta vs tors. theta energy: -124.171 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: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1560.303272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.303272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.303272 (E_RNA) where: Base-Base interactions energy: -1019.809 where: short stacking energy: -447.298 Base-Backbone interact. energy: -3.715 local terms energy: -536.778681 where: bonds (distance) C4'-P energy: -126.162 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -117.979 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -94.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1203.958759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.958759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.958759 (E_RNA) where: Base-Base interactions energy: -716.044 where: short stacking energy: -330.111 Base-Backbone interact. energy: -1.199 local terms energy: -486.715628 where: bonds (distance) C4'-P energy: -119.100 bonds (distance) P-C4' energy: -125.908 flat angles C4'-P-C4' energy: -130.467 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -42.164 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: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1087.725221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.725221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.725221 (E_RNA) where: Base-Base interactions energy: -652.068 where: short stacking energy: -304.302 Base-Backbone interact. energy: 1.267 local terms energy: -436.924250 where: bonds (distance) C4'-P energy: -114.986 bonds (distance) P-C4' energy: -128.747 flat angles C4'-P-C4' energy: -105.462 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -30.503 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: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2690.860505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.860505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.860505 (E_RNA) where: Base-Base interactions energy: -1912.019 where: short stacking energy: -765.039 Base-Backbone interact. energy: -1.677 local terms energy: -777.164756 where: bonds (distance) C4'-P energy: -141.794 bonds (distance) P-C4' energy: -159.661 flat angles C4'-P-C4' energy: -161.659 flat angles P-C4'-P energy: -96.129 tors. eta vs tors. theta energy: -217.921 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2614.492001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.492001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.492001 (E_RNA) where: Base-Base interactions energy: -1815.887 where: short stacking energy: -780.989 Base-Backbone interact. energy: -2.040 local terms energy: -796.564719 where: bonds (distance) C4'-P energy: -148.240 bonds (distance) P-C4' energy: -136.415 flat angles C4'-P-C4' energy: -165.965 flat angles P-C4'-P energy: -116.635 tors. eta vs tors. theta energy: -229.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2451.141946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.141946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.141946 (E_RNA) where: Base-Base interactions energy: -1686.026 where: short stacking energy: -715.519 Base-Backbone interact. energy: -5.950 local terms energy: -759.165832 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -136.554 flat angles C4'-P-C4' energy: -175.279 flat angles P-C4'-P energy: -105.479 tors. eta vs tors. theta energy: -212.533 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: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2352.387818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.387818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.387818 (E_RNA) where: Base-Base interactions energy: -1658.326 where: short stacking energy: -686.832 Base-Backbone interact. energy: 0.180 local terms energy: -694.241576 where: bonds (distance) C4'-P energy: -120.979 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -145.697 flat angles P-C4'-P energy: -87.330 tors. eta vs tors. theta energy: -180.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2117.008487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.008487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.008487 (E_RNA) where: Base-Base interactions energy: -1401.521 where: short stacking energy: -651.923 Base-Backbone interact. energy: 2.026 local terms energy: -717.513453 where: bonds (distance) C4'-P energy: -135.176 bonds (distance) P-C4' energy: -141.742 flat angles C4'-P-C4' energy: -148.162 flat angles P-C4'-P energy: -108.094 tors. eta vs tors. theta energy: -184.340 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: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2019.531212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.531212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.531212 (E_RNA) where: Base-Base interactions energy: -1391.414 where: short stacking energy: -619.924 Base-Backbone interact. energy: -0.792 local terms energy: -627.325695 where: bonds (distance) C4'-P energy: -110.666 bonds (distance) P-C4' energy: -124.654 flat angles C4'-P-C4' energy: -138.412 flat angles P-C4'-P energy: -98.833 tors. eta vs tors. theta energy: -154.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1804.629777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.629777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.629777 (E_RNA) where: Base-Base interactions energy: -1219.640 where: short stacking energy: -530.223 Base-Backbone interact. energy: 3.364 local terms energy: -588.353876 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -118.890 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -73.362 tors. eta vs tors. theta energy: -139.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1559.753453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.753453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.753453 (E_RNA) where: Base-Base interactions energy: -1016.450 where: short stacking energy: -450.097 Base-Backbone interact. energy: 1.156 local terms energy: -544.459051 where: bonds (distance) C4'-P energy: -131.489 bonds (distance) P-C4' energy: -112.487 flat angles C4'-P-C4' energy: -124.497 flat angles P-C4'-P energy: -74.910 tors. eta vs tors. theta energy: -101.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1208.864218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.864218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.864218 (E_RNA) where: Base-Base interactions energy: -733.322 where: short stacking energy: -359.976 Base-Backbone interact. energy: -2.731 local terms energy: -472.811113 where: bonds (distance) C4'-P energy: -96.533 bonds (distance) P-C4' energy: -125.763 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -55.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1074.182553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.182553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.182553 (E_RNA) where: Base-Base interactions energy: -640.087 where: short stacking energy: -289.031 Base-Backbone interact. energy: 7.324 local terms energy: -441.419924 where: bonds (distance) C4'-P energy: -132.131 bonds (distance) P-C4' energy: -117.276 flat angles C4'-P-C4' energy: -119.964 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -24.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2720.865976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.865976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.865976 (E_RNA) where: Base-Base interactions energy: -1940.402 where: short stacking energy: -800.923 Base-Backbone interact. energy: -0.141 local terms energy: -780.322710 where: bonds (distance) C4'-P energy: -142.785 bonds (distance) P-C4' energy: -149.750 flat angles C4'-P-C4' energy: -167.950 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -217.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2612.492621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.492621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.492621 (E_RNA) where: Base-Base interactions energy: -1804.492 where: short stacking energy: -764.911 Base-Backbone interact. energy: -5.597 local terms energy: -802.403266 where: bonds (distance) C4'-P energy: -147.884 bonds (distance) P-C4' energy: -148.772 flat angles C4'-P-C4' energy: -163.471 flat angles P-C4'-P energy: -110.288 tors. eta vs tors. theta energy: -231.989 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: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2406.644483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.644483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.644483 (E_RNA) where: Base-Base interactions energy: -1642.775 where: short stacking energy: -731.196 Base-Backbone interact. energy: -4.539 local terms energy: -759.331225 where: bonds (distance) C4'-P energy: -123.353 bonds (distance) P-C4' energy: -137.326 flat angles C4'-P-C4' energy: -153.293 flat angles P-C4'-P energy: -123.461 tors. eta vs tors. theta energy: -221.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2363.470751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.470751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.470751 (E_RNA) where: Base-Base interactions energy: -1614.101 where: short stacking energy: -699.523 Base-Backbone interact. energy: -3.250 local terms energy: -746.119752 where: bonds (distance) C4'-P energy: -130.577 bonds (distance) P-C4' energy: -137.916 flat angles C4'-P-C4' energy: -157.657 flat angles P-C4'-P energy: -105.754 tors. eta vs tors. theta energy: -214.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2066.499720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.499720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.499720 (E_RNA) where: Base-Base interactions energy: -1372.420 where: short stacking energy: -611.228 Base-Backbone interact. energy: 2.492 local terms energy: -696.571481 where: bonds (distance) C4'-P energy: -123.393 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -99.942 tors. eta vs tors. theta energy: -172.056 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: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2037.859013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.859013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.859013 (E_RNA) where: Base-Base interactions energy: -1402.249 where: short stacking energy: -605.067 Base-Backbone interact. energy: -0.085 local terms energy: -635.525561 where: bonds (distance) C4'-P energy: -108.129 bonds (distance) P-C4' energy: -139.108 flat angles C4'-P-C4' energy: -155.161 flat angles P-C4'-P energy: -76.919 tors. eta vs tors. theta energy: -156.209 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: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1733.024593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.024593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.024593 (E_RNA) where: Base-Base interactions energy: -1132.836 where: short stacking energy: -505.573 Base-Backbone interact. energy: -1.158 local terms energy: -599.030448 where: bonds (distance) C4'-P energy: -127.545 bonds (distance) P-C4' energy: -137.197 flat angles C4'-P-C4' energy: -128.736 flat angles P-C4'-P energy: -84.217 tors. eta vs tors. theta energy: -121.335 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: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1604.857390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.857390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.857390 (E_RNA) where: Base-Base interactions energy: -1041.799 where: short stacking energy: -431.000 Base-Backbone interact. energy: -2.575 local terms energy: -560.483308 where: bonds (distance) C4'-P energy: -129.155 bonds (distance) P-C4' energy: -128.855 flat angles C4'-P-C4' energy: -122.587 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -85.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1241.696735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.696735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.696735 (E_RNA) where: Base-Base interactions energy: -779.829 where: short stacking energy: -348.304 Base-Backbone interact. energy: -3.937 local terms energy: -457.930592 where: bonds (distance) C4'-P energy: -113.285 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -97.026 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -45.989 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: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1095.082919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.082919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.082919 (E_RNA) where: Base-Base interactions energy: -643.321 where: short stacking energy: -292.782 Base-Backbone interact. energy: 0.844 local terms energy: -452.605682 where: bonds (distance) C4'-P energy: -130.376 bonds (distance) P-C4' energy: -121.066 flat angles C4'-P-C4' energy: -99.093 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: -41.817 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: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2722.282417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.282417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.282417 (E_RNA) where: Base-Base interactions energy: -1925.609 where: short stacking energy: -782.321 Base-Backbone interact. energy: -3.791 local terms energy: -792.882831 where: bonds (distance) C4'-P energy: -139.295 bonds (distance) P-C4' energy: -143.518 flat angles C4'-P-C4' energy: -176.471 flat angles P-C4'-P energy: -113.595 tors. eta vs tors. theta energy: -220.004 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: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2604.286117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.286117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.286117 (E_RNA) where: Base-Base interactions energy: -1782.237 where: short stacking energy: -764.278 Base-Backbone interact. energy: -1.802 local terms energy: -820.246396 where: bonds (distance) C4'-P energy: -152.794 bonds (distance) P-C4' energy: -151.632 flat angles C4'-P-C4' energy: -169.151 flat angles P-C4'-P energy: -119.476 tors. eta vs tors. theta energy: -227.193 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2431.634998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.634998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.634998 (E_RNA) where: Base-Base interactions energy: -1682.219 where: short stacking energy: -747.071 Base-Backbone interact. energy: -1.713 local terms energy: -747.702839 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -163.173 flat angles P-C4'-P energy: -108.491 tors. eta vs tors. theta energy: -213.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2374.417035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.417035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.417035 (E_RNA) where: Base-Base interactions energy: -1644.050 where: short stacking energy: -676.917 Base-Backbone interact. energy: -2.984 local terms energy: -727.383175 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -156.190 flat angles C4'-P-C4' energy: -159.141 flat angles P-C4'-P energy: -94.528 tors. eta vs tors. theta energy: -195.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2091.417924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.417924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.417924 (E_RNA) where: Base-Base interactions energy: -1403.049 where: short stacking energy: -643.533 Base-Backbone interact. energy: -3.210 local terms energy: -685.159416 where: bonds (distance) C4'-P energy: -132.118 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -159.898 flat angles P-C4'-P energy: -85.330 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: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2034.685581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.685581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.685581 (E_RNA) where: Base-Base interactions energy: -1389.843 where: short stacking energy: -592.500 Base-Backbone interact. energy: -5.310 local terms energy: -639.532419 where: bonds (distance) C4'-P energy: -124.249 bonds (distance) P-C4' energy: -130.317 flat angles C4'-P-C4' energy: -141.970 flat angles P-C4'-P energy: -86.100 tors. eta vs tors. theta energy: -156.896 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: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1725.563700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.563700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.563700 (E_RNA) where: Base-Base interactions energy: -1152.318 where: short stacking energy: -488.168 Base-Backbone interact. energy: -1.454 local terms energy: -571.792212 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -131.162 flat angles C4'-P-C4' energy: -148.496 flat angles P-C4'-P energy: -73.512 tors. eta vs tors. theta energy: -102.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1610.807856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.807856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.807856 (E_RNA) where: Base-Base interactions energy: -1028.635 where: short stacking energy: -436.627 Base-Backbone interact. energy: -1.325 local terms energy: -580.848812 where: bonds (distance) C4'-P energy: -123.078 bonds (distance) P-C4' energy: -147.122 flat angles C4'-P-C4' energy: -133.320 flat angles P-C4'-P energy: -82.426 tors. eta vs tors. theta energy: -94.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1273.147121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.147121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.147121 (E_RNA) where: Base-Base interactions energy: -786.157 where: short stacking energy: -343.267 Base-Backbone interact. energy: -2.228 local terms energy: -484.761361 where: bonds (distance) C4'-P energy: -112.369 bonds (distance) P-C4' energy: -127.619 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -73.620 tors. eta vs tors. theta energy: -59.729 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: 325 Temperature: 1.350000 Total energy: -1083.511028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.511028 (E_RNA) where: Base-Base interactions energy: -621.619 where: short stacking energy: -322.782 Base-Backbone interact. energy: 4.828 local terms energy: -466.720634 where: bonds (distance) C4'-P energy: -127.400 bonds (distance) P-C4' energy: -113.132 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -79.753 tors. eta vs tors. theta energy: -37.377 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: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2730.243285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.243285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.243285 (E_RNA) where: Base-Base interactions energy: -1936.358 where: short stacking energy: -795.699 Base-Backbone interact. energy: -0.347 local terms energy: -793.539141 where: bonds (distance) C4'-P energy: -128.561 bonds (distance) P-C4' energy: -157.381 flat angles C4'-P-C4' energy: -173.233 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -221.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2628.250655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.250655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.250655 (E_RNA) where: Base-Base interactions energy: -1823.925 where: short stacking energy: -768.185 Base-Backbone interact. energy: -1.150 local terms energy: -803.175397 where: bonds (distance) C4'-P energy: -149.877 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -171.235 flat angles P-C4'-P energy: -127.490 tors. eta vs tors. theta energy: -222.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2435.882071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.882071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.882071 (E_RNA) where: Base-Base interactions energy: -1695.519 where: short stacking energy: -727.448 Base-Backbone interact. energy: -4.082 local terms energy: -736.280680 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -162.560 flat angles P-C4'-P energy: -109.707 tors. eta vs tors. theta energy: -208.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2338.685652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.685652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.685652 (E_RNA) where: Base-Base interactions energy: -1630.925 where: short stacking energy: -665.286 Base-Backbone interact. energy: -1.238 local terms energy: -706.522508 where: bonds (distance) C4'-P energy: -128.072 bonds (distance) P-C4' energy: -127.355 flat angles C4'-P-C4' energy: -155.891 flat angles P-C4'-P energy: -106.025 tors. eta vs tors. theta energy: -189.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2096.531452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.531452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.531452 (E_RNA) where: Base-Base interactions energy: -1372.398 where: short stacking energy: -611.246 Base-Backbone interact. energy: -3.818 local terms energy: -720.316166 where: bonds (distance) C4'-P energy: -135.628 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -166.481 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -177.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2030.643411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.643411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.643411 (E_RNA) where: Base-Base interactions energy: -1394.627 where: short stacking energy: -579.923 Base-Backbone interact. energy: 4.572 local terms energy: -640.588351 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -98.581 tors. eta vs tors. theta energy: -149.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1733.279672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.279672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.279672 (E_RNA) where: Base-Base interactions energy: -1142.133 where: short stacking energy: -479.190 Base-Backbone interact. energy: 0.931 local terms energy: -592.077494 where: bonds (distance) C4'-P energy: -108.573 bonds (distance) P-C4' energy: -138.213 flat angles C4'-P-C4' energy: -138.910 flat angles P-C4'-P energy: -88.617 tors. eta vs tors. theta energy: -117.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1729.733777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.733777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.733777 (E_RNA) where: Base-Base interactions energy: -1183.629 where: short stacking energy: -481.953 Base-Backbone interact. energy: 0.412 local terms energy: -546.517311 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -136.438 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -76.523 tors. eta vs tors. theta energy: -108.469 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: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1272.987895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.987895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.987895 (E_RNA) where: Base-Base interactions energy: -797.510 where: short stacking energy: -363.711 Base-Backbone interact. energy: -2.428 local terms energy: -473.050032 where: bonds (distance) C4'-P energy: -125.847 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -116.331 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -57.819 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: 326 Temperature: 1.350000 Total energy: -1130.917129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.917129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.917129 (E_RNA) where: Base-Base interactions energy: -695.814 where: short stacking energy: -319.343 Base-Backbone interact. energy: 2.423 local terms energy: -437.526089 where: bonds (distance) C4'-P energy: -106.936 bonds (distance) P-C4' energy: -125.542 flat angles C4'-P-C4' energy: -98.032 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -43.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2722.246059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.246059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.246059 (E_RNA) where: Base-Base interactions energy: -1942.500 where: short stacking energy: -782.136 Base-Backbone interact. energy: -2.532 local terms energy: -777.213736 where: bonds (distance) C4'-P energy: -128.244 bonds (distance) P-C4' energy: -135.351 flat angles C4'-P-C4' energy: -178.483 flat angles P-C4'-P energy: -111.266 tors. eta vs tors. theta energy: -223.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2621.758127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.758127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.758127 (E_RNA) where: Base-Base interactions energy: -1831.947 where: short stacking energy: -783.325 Base-Backbone interact. energy: -3.294 local terms energy: -786.516791 where: bonds (distance) C4'-P energy: -136.110 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -163.101 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -226.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2429.406899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.406899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.406899 (E_RNA) where: Base-Base interactions energy: -1687.223 where: short stacking energy: -702.470 Base-Backbone interact. energy: -3.766 local terms energy: -738.418440 where: bonds (distance) C4'-P energy: -147.675 bonds (distance) P-C4' energy: -123.860 flat angles C4'-P-C4' energy: -166.842 flat angles P-C4'-P energy: -98.130 tors. eta vs tors. theta energy: -201.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2426.874824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.874824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.874824 (E_RNA) where: Base-Base interactions energy: -1685.249 where: short stacking energy: -669.070 Base-Backbone interact. energy: 2.611 local terms energy: -744.236589 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -130.228 flat angles C4'-P-C4' energy: -152.402 flat angles P-C4'-P energy: -105.895 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: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2087.908037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.908037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.908037 (E_RNA) where: Base-Base interactions energy: -1384.379 where: short stacking energy: -624.778 Base-Backbone interact. energy: 3.427 local terms energy: -706.956270 where: bonds (distance) C4'-P energy: -125.250 bonds (distance) P-C4' energy: -146.820 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -94.400 tors. eta vs tors. theta energy: -185.123 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: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1987.555270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.555270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.555270 (E_RNA) where: Base-Base interactions energy: -1363.175 where: short stacking energy: -582.844 Base-Backbone interact. energy: -1.734 local terms energy: -622.646704 where: bonds (distance) C4'-P energy: -134.870 bonds (distance) P-C4' energy: -126.251 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -137.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1718.633232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.633232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.633232 (E_RNA) where: Base-Base interactions energy: -1153.810 where: short stacking energy: -500.829 Base-Backbone interact. energy: 0.434 local terms energy: -565.257435 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -131.954 flat angles P-C4'-P energy: -77.094 tors. eta vs tors. theta energy: -123.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1712.994686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.994686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.994686 (E_RNA) where: Base-Base interactions energy: -1146.880 where: short stacking energy: -466.817 Base-Backbone interact. energy: -0.836 local terms energy: -565.278905 where: bonds (distance) C4'-P energy: -111.110 bonds (distance) P-C4' energy: -121.413 flat angles C4'-P-C4' energy: -140.838 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -93.821 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: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1247.375544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.375544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.375544 (E_RNA) where: Base-Base interactions energy: -750.517 where: short stacking energy: -351.965 Base-Backbone interact. energy: 1.265 local terms energy: -498.123214 where: bonds (distance) C4'-P energy: -126.105 bonds (distance) P-C4' energy: -114.147 flat angles C4'-P-C4' energy: -144.407 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -59.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1072.670257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.670257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.670257 (E_RNA) where: Base-Base interactions energy: -640.888 where: short stacking energy: -307.576 Base-Backbone interact. energy: 3.459 local terms energy: -435.241830 where: bonds (distance) C4'-P energy: -142.148 bonds (distance) P-C4' energy: -126.342 flat angles C4'-P-C4' energy: -103.824 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2736.181485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.181485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.181485 (E_RNA) where: Base-Base interactions energy: -1939.124 where: short stacking energy: -783.330 Base-Backbone interact. energy: -4.428 local terms energy: -792.630347 where: bonds (distance) C4'-P energy: -141.103 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -175.453 flat angles P-C4'-P energy: -118.719 tors. eta vs tors. theta energy: -213.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2643.935919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.935919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.935919 (E_RNA) where: Base-Base interactions energy: -1813.228 where: short stacking energy: -791.130 Base-Backbone interact. energy: -5.137 local terms energy: -825.570216 where: bonds (distance) C4'-P energy: -150.001 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -172.766 flat angles P-C4'-P energy: -123.469 tors. eta vs tors. theta energy: -236.215 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: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2504.656787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.656787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.656787 (E_RNA) where: Base-Base interactions energy: -1751.519 where: short stacking energy: -699.131 Base-Backbone interact. energy: 2.569 local terms energy: -755.707328 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -142.323 flat angles C4'-P-C4' energy: -158.934 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -203.654 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: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2382.814430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.814430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.814430 (E_RNA) where: Base-Base interactions energy: -1631.921 where: short stacking energy: -717.700 Base-Backbone interact. energy: -4.097 local terms energy: -746.796543 where: bonds (distance) C4'-P energy: -123.124 bonds (distance) P-C4' energy: -142.125 flat angles C4'-P-C4' energy: -170.478 flat angles P-C4'-P energy: -106.936 tors. eta vs tors. theta energy: -204.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2110.861810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.861810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.861810 (E_RNA) where: Base-Base interactions energy: -1428.194 where: short stacking energy: -656.044 Base-Backbone interact. energy: -1.038 local terms energy: -681.629814 where: bonds (distance) C4'-P energy: -139.200 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -141.288 flat angles P-C4'-P energy: -92.835 tors. eta vs tors. theta energy: -180.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1969.292986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.292986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.292986 (E_RNA) where: Base-Base interactions energy: -1373.063 where: short stacking energy: -567.909 Base-Backbone interact. energy: -5.362 local terms energy: -590.867630 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -123.591 flat angles C4'-P-C4' energy: -128.364 flat angles P-C4'-P energy: -79.819 tors. eta vs tors. theta energy: -148.445 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: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1756.090856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.090856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.090856 (E_RNA) where: Base-Base interactions energy: -1152.093 where: short stacking energy: -512.240 Base-Backbone interact. energy: 0.747 local terms energy: -604.744478 where: bonds (distance) C4'-P energy: -100.774 bonds (distance) P-C4' energy: -136.687 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -114.831 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1669.618028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.618028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.618028 (E_RNA) where: Base-Base interactions energy: -1091.095 where: short stacking energy: -480.927 Base-Backbone interact. energy: -1.759 local terms energy: -576.764231 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -121.525 flat angles C4'-P-C4' energy: -134.337 flat angles P-C4'-P energy: -85.471 tors. eta vs tors. theta energy: -124.193 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: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1245.989217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.989217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.989217 (E_RNA) where: Base-Base interactions energy: -776.408 where: short stacking energy: -348.434 Base-Backbone interact. energy: -4.860 local terms energy: -464.721816 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -130.977 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -61.226 tors. eta vs tors. theta energy: -37.026 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: 5 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1059.680984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.680984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.680984 (E_RNA) where: Base-Base interactions energy: -627.056 where: short stacking energy: -309.571 Base-Backbone interact. energy: -2.549 local terms energy: -430.076129 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -127.670 flat angles C4'-P-C4' energy: -115.912 flat angles P-C4'-P energy: -45.792 tors. eta vs tors. theta energy: -28.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2694.366116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.366116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.366116 (E_RNA) where: Base-Base interactions energy: -1919.153 where: short stacking energy: -765.552 Base-Backbone interact. energy: -5.164 local terms energy: -770.048576 where: bonds (distance) C4'-P energy: -144.688 bonds (distance) P-C4' energy: -140.834 flat angles C4'-P-C4' energy: -160.302 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -220.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2658.546644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.546644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.546644 (E_RNA) where: Base-Base interactions energy: -1861.405 where: short stacking energy: -802.747 Base-Backbone interact. energy: -0.345 local terms energy: -796.796536 where: bonds (distance) C4'-P energy: -131.163 bonds (distance) P-C4' energy: -143.801 flat angles C4'-P-C4' energy: -166.695 flat angles P-C4'-P energy: -124.567 tors. eta vs tors. theta energy: -230.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2502.978366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.978366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.978366 (E_RNA) where: Base-Base interactions energy: -1757.041 where: short stacking energy: -715.129 Base-Backbone interact. energy: 1.999 local terms energy: -747.935932 where: bonds (distance) C4'-P energy: -145.645 bonds (distance) P-C4' energy: -129.715 flat angles C4'-P-C4' energy: -152.945 flat angles P-C4'-P energy: -104.381 tors. eta vs tors. theta energy: -215.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2399.721222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.721222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.721222 (E_RNA) where: Base-Base interactions energy: -1667.424 where: short stacking energy: -726.054 Base-Backbone interact. energy: -1.640 local terms energy: -730.657767 where: bonds (distance) C4'-P energy: -118.289 bonds (distance) P-C4' energy: -140.867 flat angles C4'-P-C4' energy: -175.974 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -203.089 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: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2128.330452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.330452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.330452 (E_RNA) where: Base-Base interactions energy: -1444.155 where: short stacking energy: -647.175 Base-Backbone interact. energy: -1.885 local terms energy: -682.290393 where: bonds (distance) C4'-P energy: -135.851 bonds (distance) P-C4' energy: -128.911 flat angles C4'-P-C4' energy: -157.647 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -182.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1988.463451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.463451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.463451 (E_RNA) where: Base-Base interactions energy: -1348.252 where: short stacking energy: -575.574 Base-Backbone interact. energy: 2.024 local terms energy: -642.236182 where: bonds (distance) C4'-P energy: -128.616 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -145.241 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -142.986 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: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1767.875446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.875446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.875446 (E_RNA) where: Base-Base interactions energy: -1154.867 where: short stacking energy: -501.122 Base-Backbone interact. energy: -3.172 local terms energy: -609.836730 where: bonds (distance) C4'-P energy: -142.463 bonds (distance) P-C4' energy: -115.300 flat angles C4'-P-C4' energy: -138.966 flat angles P-C4'-P energy: -88.729 tors. eta vs tors. theta energy: -124.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1696.848788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.848788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.848788 (E_RNA) where: Base-Base interactions energy: -1111.044 where: short stacking energy: -475.398 Base-Backbone interact. energy: 0.864 local terms energy: -586.668302 where: bonds (distance) C4'-P energy: -127.335 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -128.541 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -128.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1268.917691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.917691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.917691 (E_RNA) where: Base-Base interactions energy: -767.385 where: short stacking energy: -335.941 Base-Backbone interact. energy: -3.378 local terms energy: -498.154432 where: bonds (distance) C4'-P energy: -129.046 bonds (distance) P-C4' energy: -122.739 flat angles C4'-P-C4' energy: -104.643 flat angles P-C4'-P energy: -72.961 tors. eta vs tors. theta energy: -68.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1054.751078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.751078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.751078 (E_RNA) where: Base-Base interactions energy: -625.005 where: short stacking energy: -302.795 Base-Backbone interact. energy: -2.523 local terms energy: -427.223528 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -103.452 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: -31.294 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: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2712.303212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.303212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.303212 (E_RNA) where: Base-Base interactions energy: -1930.938 where: short stacking energy: -795.964 Base-Backbone interact. energy: 3.732 local terms energy: -785.098108 where: bonds (distance) C4'-P energy: -143.897 bonds (distance) P-C4' energy: -130.310 flat angles C4'-P-C4' energy: -164.787 flat angles P-C4'-P energy: -118.409 tors. eta vs tors. theta energy: -227.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2654.294646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.294646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.294646 (E_RNA) where: Base-Base interactions energy: -1831.861 where: short stacking energy: -804.136 Base-Backbone interact. energy: -4.231 local terms energy: -818.202133 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -157.186 flat angles C4'-P-C4' energy: -170.352 flat angles P-C4'-P energy: -122.331 tors. eta vs tors. theta energy: -233.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2540.748311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.748311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.748311 (E_RNA) where: Base-Base interactions energy: -1788.952 where: short stacking energy: -744.872 Base-Backbone interact. energy: -2.746 local terms energy: -749.050422 where: bonds (distance) C4'-P energy: -129.636 bonds (distance) P-C4' energy: -139.336 flat angles C4'-P-C4' energy: -164.683 flat angles P-C4'-P energy: -103.560 tors. eta vs tors. theta energy: -211.836 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: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2381.817216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.817216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.817216 (E_RNA) where: Base-Base interactions energy: -1634.370 where: short stacking energy: -684.203 Base-Backbone interact. energy: -1.434 local terms energy: -746.012344 where: bonds (distance) C4'-P energy: -149.579 bonds (distance) P-C4' energy: -146.651 flat angles C4'-P-C4' energy: -158.299 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -202.913 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: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2143.782848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.782848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.782848 (E_RNA) where: Base-Base interactions energy: -1427.377 where: short stacking energy: -640.085 Base-Backbone interact. energy: -2.385 local terms energy: -714.021259 where: bonds (distance) C4'-P energy: -126.157 bonds (distance) P-C4' energy: -132.955 flat angles C4'-P-C4' energy: -169.035 flat angles P-C4'-P energy: -101.840 tors. eta vs tors. theta energy: -184.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1999.417990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.417990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.417990 (E_RNA) where: Base-Base interactions energy: -1373.457 where: short stacking energy: -576.077 Base-Backbone interact. energy: -0.031 local terms energy: -625.929553 where: bonds (distance) C4'-P energy: -139.386 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -83.848 tors. eta vs tors. theta energy: -142.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1746.869189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.869189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.869189 (E_RNA) where: Base-Base interactions energy: -1194.695 where: short stacking energy: -526.403 Base-Backbone interact. energy: 0.160 local terms energy: -552.334326 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -124.275 flat angles C4'-P-C4' energy: -130.984 flat angles P-C4'-P energy: -75.337 tors. eta vs tors. theta energy: -104.396 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1676.148392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.148392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.148392 (E_RNA) where: Base-Base interactions energy: -1111.930 where: short stacking energy: -492.592 Base-Backbone interact. energy: -2.474 local terms energy: -561.744314 where: bonds (distance) C4'-P energy: -129.546 bonds (distance) P-C4' energy: -112.275 flat angles C4'-P-C4' energy: -126.996 flat angles P-C4'-P energy: -67.508 tors. eta vs tors. theta energy: -125.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1260.961979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.961979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.961979 (E_RNA) where: Base-Base interactions energy: -774.300 where: short stacking energy: -361.039 Base-Backbone interact. energy: -2.736 local terms energy: -483.926426 where: bonds (distance) C4'-P energy: -115.703 bonds (distance) P-C4' energy: -108.892 flat angles C4'-P-C4' energy: -109.035 flat angles P-C4'-P energy: -79.310 tors. eta vs tors. theta energy: -70.986 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: 330 Temperature: 1.350000 Total energy: -1050.245906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.245906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.245906 (E_RNA) where: Base-Base interactions energy: -601.270 where: short stacking energy: -293.544 Base-Backbone interact. energy: 0.978 local terms energy: -449.954366 where: bonds (distance) C4'-P energy: -120.387 bonds (distance) P-C4' energy: -127.600 flat angles C4'-P-C4' energy: -111.709 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -33.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2720.180171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.180171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.180171 (E_RNA) where: Base-Base interactions energy: -1921.280 where: short stacking energy: -778.244 Base-Backbone interact. energy: -6.307 local terms energy: -792.592835 where: bonds (distance) C4'-P energy: -157.213 bonds (distance) P-C4' energy: -129.939 flat angles C4'-P-C4' energy: -161.079 flat angles P-C4'-P energy: -122.267 tors. eta vs tors. theta energy: -222.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2657.540024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.540024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.540024 (E_RNA) where: Base-Base interactions energy: -1842.708 where: short stacking energy: -769.142 Base-Backbone interact. energy: -2.931 local terms energy: -811.900770 where: bonds (distance) C4'-P energy: -131.279 bonds (distance) P-C4' energy: -149.848 flat angles C4'-P-C4' energy: -175.826 flat angles P-C4'-P energy: -123.137 tors. eta vs tors. theta energy: -231.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2557.623889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.623889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.623889 (E_RNA) where: Base-Base interactions energy: -1786.758 where: short stacking energy: -753.456 Base-Backbone interact. energy: -0.679 local terms energy: -770.186302 where: bonds (distance) C4'-P energy: -147.993 bonds (distance) P-C4' energy: -128.519 flat angles C4'-P-C4' energy: -167.112 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -232.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2343.583885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.583885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.583885 (E_RNA) where: Base-Base interactions energy: -1613.643 where: short stacking energy: -696.673 Base-Backbone interact. energy: -2.299 local terms energy: -727.641809 where: bonds (distance) C4'-P energy: -136.057 bonds (distance) P-C4' energy: -126.556 flat angles C4'-P-C4' energy: -161.969 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -202.544 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: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2126.551250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.551250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.551250 (E_RNA) where: Base-Base interactions energy: -1385.655 where: short stacking energy: -627.589 Base-Backbone interact. energy: 2.489 local terms energy: -743.385518 where: bonds (distance) C4'-P energy: -139.693 bonds (distance) P-C4' energy: -148.928 flat angles C4'-P-C4' energy: -161.060 flat angles P-C4'-P energy: -107.030 tors. eta vs tors. theta energy: -186.676 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: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2034.845257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.845257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.845257 (E_RNA) where: Base-Base interactions energy: -1408.516 where: short stacking energy: -588.271 Base-Backbone interact. energy: -0.714 local terms energy: -625.615783 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -116.574 flat angles C4'-P-C4' energy: -131.791 flat angles P-C4'-P energy: -90.282 tors. eta vs tors. theta energy: -157.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1756.310695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.310695 (E_RNA) where: Base-Base interactions energy: -1172.926 where: short stacking energy: -509.687 Base-Backbone interact. energy: 1.683 local terms energy: -585.068643 where: bonds (distance) C4'-P energy: -113.089 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -133.766 flat angles P-C4'-P energy: -98.825 tors. eta vs tors. theta energy: -101.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1675.863642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.863642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.863642 (E_RNA) where: Base-Base interactions energy: -1111.647 where: short stacking energy: -493.544 Base-Backbone interact. energy: 2.180 local terms energy: -566.397204 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -110.651 flat angles C4'-P-C4' energy: -147.425 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: -107.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1210.693604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.693604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.693604 (E_RNA) where: Base-Base interactions energy: -717.312 where: short stacking energy: -335.065 Base-Backbone interact. energy: 5.022 local terms energy: -498.404256 where: bonds (distance) C4'-P energy: -113.922 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -144.089 flat angles P-C4'-P energy: -78.489 tors. eta vs tors. theta energy: -35.772 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: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1106.191857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.191857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.191857 (E_RNA) where: Base-Base interactions energy: -643.088 where: short stacking energy: -300.467 Base-Backbone interact. energy: 0.822 local terms energy: -463.925894 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -143.168 flat angles C4'-P-C4' energy: -92.581 flat angles P-C4'-P energy: -68.669 tors. eta vs tors. theta energy: -38.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2715.015879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.015879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.015879 (E_RNA) where: Base-Base interactions energy: -1892.339 where: short stacking energy: -811.351 Base-Backbone interact. energy: -1.143 local terms energy: -821.533012 where: bonds (distance) C4'-P energy: -135.437 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -166.856 flat angles P-C4'-P energy: -125.823 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: 332 Temperature: 0.950000 Total energy: -2633.634349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.634349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.634349 (E_RNA) where: Base-Base interactions energy: -1864.181 where: short stacking energy: -766.382 Base-Backbone interact. energy: -4.413 local terms energy: -765.041187 where: bonds (distance) C4'-P energy: -141.474 bonds (distance) P-C4' energy: -133.279 flat angles C4'-P-C4' energy: -153.873 flat angles P-C4'-P energy: -110.707 tors. eta vs tors. theta energy: -225.708 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: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2557.276953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.276953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.276953 (E_RNA) where: Base-Base interactions energy: -1777.839 where: short stacking energy: -751.814 Base-Backbone interact. energy: 4.016 local terms energy: -783.454066 where: bonds (distance) C4'-P energy: -137.675 bonds (distance) P-C4' energy: -131.421 flat angles C4'-P-C4' energy: -171.742 flat angles P-C4'-P energy: -119.149 tors. eta vs tors. theta energy: -223.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2375.112713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.112713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.112713 (E_RNA) where: Base-Base interactions energy: -1633.436 where: short stacking energy: -701.282 Base-Backbone interact. energy: 0.350 local terms energy: -742.026183 where: bonds (distance) C4'-P energy: -138.132 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -149.135 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -197.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2069.330381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.330381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.330381 (E_RNA) where: Base-Base interactions energy: -1393.332 where: short stacking energy: -630.192 Base-Backbone interact. energy: -1.133 local terms energy: -674.865232 where: bonds (distance) C4'-P energy: -114.138 bonds (distance) P-C4' energy: -133.747 flat angles C4'-P-C4' energy: -148.248 flat angles P-C4'-P energy: -106.223 tors. eta vs tors. theta energy: -172.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2006.217489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.217489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.217489 (E_RNA) where: Base-Base interactions energy: -1338.337 where: short stacking energy: -586.545 Base-Backbone interact. energy: -1.419 local terms energy: -666.461476 where: bonds (distance) C4'-P energy: -129.960 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -145.008 flat angles P-C4'-P energy: -97.537 tors. eta vs tors. theta energy: -172.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1745.854143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.854143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.854143 (E_RNA) where: Base-Base interactions energy: -1204.049 where: short stacking energy: -511.085 Base-Backbone interact. energy: 3.594 local terms energy: -545.399568 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -117.813 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -76.531 tors. eta vs tors. theta energy: -111.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1670.145356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.145356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.145356 (E_RNA) where: Base-Base interactions energy: -1118.997 where: short stacking energy: -501.895 Base-Backbone interact. energy: 2.446 local terms energy: -553.594002 where: bonds (distance) C4'-P energy: -112.829 bonds (distance) P-C4' energy: -118.321 flat angles C4'-P-C4' energy: -128.190 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: -116.240 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1145.032190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.032190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.032190 (E_RNA) where: Base-Base interactions energy: -699.348 where: short stacking energy: -335.922 Base-Backbone interact. energy: 5.071 local terms energy: -450.754967 where: bonds (distance) C4'-P energy: -115.315 bonds (distance) P-C4' energy: -111.257 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -72.720 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1140.025593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.025593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.025593 (E_RNA) where: Base-Base interactions energy: -657.875 where: short stacking energy: -326.524 Base-Backbone interact. energy: -4.208 local terms energy: -477.942434 where: bonds (distance) C4'-P energy: -111.371 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -82.318 tors. eta vs tors. theta energy: -40.000 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: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2721.532311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.532311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.532311 (E_RNA) where: Base-Base interactions energy: -1906.923 where: short stacking energy: -823.354 Base-Backbone interact. energy: -1.878 local terms energy: -812.730882 where: bonds (distance) C4'-P energy: -136.307 bonds (distance) P-C4' energy: -141.500 flat angles C4'-P-C4' energy: -176.469 flat angles P-C4'-P energy: -111.588 tors. eta vs tors. theta energy: -246.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2645.203922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.203922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.203922 (E_RNA) where: Base-Base interactions energy: -1880.416 where: short stacking energy: -779.788 Base-Backbone interact. energy: 2.465 local terms energy: -767.252474 where: bonds (distance) C4'-P energy: -126.079 bonds (distance) P-C4' energy: -147.096 flat angles C4'-P-C4' energy: -174.647 flat angles P-C4'-P energy: -108.015 tors. eta vs tors. theta energy: -211.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2502.814261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.814261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.814261 (E_RNA) where: Base-Base interactions energy: -1718.919 where: short stacking energy: -724.326 Base-Backbone interact. energy: -2.638 local terms energy: -781.257265 where: bonds (distance) C4'-P energy: -144.468 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -172.682 flat angles P-C4'-P energy: -119.258 tors. eta vs tors. theta energy: -208.050 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: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2332.436029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.436029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.436029 (E_RNA) where: Base-Base interactions energy: -1628.480 where: short stacking energy: -692.010 Base-Backbone interact. energy: -1.385 local terms energy: -702.570889 where: bonds (distance) C4'-P energy: -134.932 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -154.530 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -195.343 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2076.984717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.984717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.984717 (E_RNA) where: Base-Base interactions energy: -1411.981 where: short stacking energy: -606.108 Base-Backbone interact. energy: -2.711 local terms energy: -662.293104 where: bonds (distance) C4'-P energy: -131.556 bonds (distance) P-C4' energy: -128.728 flat angles C4'-P-C4' energy: -146.620 flat angles P-C4'-P energy: -84.348 tors. eta vs tors. theta energy: -171.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1990.264909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.264909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.264909 (E_RNA) where: Base-Base interactions energy: -1324.574 where: short stacking energy: -577.455 Base-Backbone interact. energy: 0.549 local terms energy: -666.239832 where: bonds (distance) C4'-P energy: -145.998 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -138.612 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -152.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1671.360461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.360461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.360461 (E_RNA) where: Base-Base interactions energy: -1084.477 where: short stacking energy: -501.356 Base-Backbone interact. energy: -3.415 local terms energy: -583.467868 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -130.475 flat angles C4'-P-C4' energy: -126.605 flat angles P-C4'-P energy: -88.083 tors. eta vs tors. theta energy: -107.179 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: 333 Temperature: 1.250000 Total energy: -1590.144174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.144174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.144174 (E_RNA) where: Base-Base interactions energy: -1053.022 where: short stacking energy: -452.453 Base-Backbone interact. energy: 1.776 local terms energy: -538.898576 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -124.147 flat angles C4'-P-C4' energy: -126.917 flat angles P-C4'-P energy: -83.361 tors. eta vs tors. theta energy: -107.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1205.690444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.690444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.690444 (E_RNA) where: Base-Base interactions energy: -734.811 where: short stacking energy: -347.938 Base-Backbone interact. energy: 0.673 local terms energy: -471.552745 where: bonds (distance) C4'-P energy: -103.429 bonds (distance) P-C4' energy: -137.755 flat angles C4'-P-C4' energy: -112.237 flat angles P-C4'-P energy: -74.757 tors. eta vs tors. theta energy: -43.375 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: 333 Temperature: 1.350000 Total energy: -1132.363775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.363775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.363775 (E_RNA) where: Base-Base interactions energy: -696.833 where: short stacking energy: -318.573 Base-Backbone interact. energy: 10.055 local terms energy: -445.585755 where: bonds (distance) C4'-P energy: -88.448 bonds (distance) P-C4' energy: -127.637 flat angles C4'-P-C4' energy: -120.907 flat angles P-C4'-P energy: -71.740 tors. eta vs tors. theta energy: -36.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2726.067227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.067227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.067227 (E_RNA) where: Base-Base interactions energy: -1906.230 where: short stacking energy: -823.231 Base-Backbone interact. energy: -2.092 local terms energy: -817.745130 where: bonds (distance) C4'-P energy: -141.174 bonds (distance) P-C4' energy: -143.247 flat angles C4'-P-C4' energy: -171.053 flat angles P-C4'-P energy: -119.233 tors. eta vs tors. theta energy: -243.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2642.647814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.647814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.647814 (E_RNA) where: Base-Base interactions energy: -1853.211 where: short stacking energy: -752.332 Base-Backbone interact. energy: 3.399 local terms energy: -792.835449 where: bonds (distance) C4'-P energy: -149.574 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -170.356 flat angles P-C4'-P energy: -113.420 tors. eta vs tors. theta energy: -222.704 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: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2517.284851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.284851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.284851 (E_RNA) where: Base-Base interactions energy: -1729.452 where: short stacking energy: -743.432 Base-Backbone interact. energy: -0.437 local terms energy: -787.395827 where: bonds (distance) C4'-P energy: -138.784 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -166.840 flat angles P-C4'-P energy: -112.734 tors. eta vs tors. theta energy: -216.480 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: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2387.685818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.685818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.685818 (E_RNA) where: Base-Base interactions energy: -1655.503 where: short stacking energy: -704.002 Base-Backbone interact. energy: -1.935 local terms energy: -730.247572 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -135.113 flat angles C4'-P-C4' energy: -159.369 flat angles P-C4'-P energy: -101.495 tors. eta vs tors. theta energy: -199.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2099.910771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.910771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.910771 (E_RNA) where: Base-Base interactions energy: -1402.251 where: short stacking energy: -639.245 Base-Backbone interact. energy: -1.910 local terms energy: -695.749246 where: bonds (distance) C4'-P energy: -114.201 bonds (distance) P-C4' energy: -137.202 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -103.981 tors. eta vs tors. theta energy: -183.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1993.170676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.170676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.170676 (E_RNA) where: Base-Base interactions energy: -1366.102 where: short stacking energy: -619.545 Base-Backbone interact. energy: -2.820 local terms energy: -624.249206 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -127.309 flat angles P-C4'-P energy: -87.834 tors. eta vs tors. theta energy: -160.631 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: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1735.777491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.777491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.777491 (E_RNA) where: Base-Base interactions energy: -1137.301 where: short stacking energy: -494.840 Base-Backbone interact. energy: -1.969 local terms energy: -596.507364 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -140.763 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -107.011 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: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1587.434772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.434772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.434772 (E_RNA) where: Base-Base interactions energy: -1027.971 where: short stacking energy: -445.349 Base-Backbone interact. energy: -2.009 local terms energy: -557.455114 where: bonds (distance) C4'-P energy: -139.517 bonds (distance) P-C4' energy: -123.050 flat angles C4'-P-C4' energy: -123.687 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -84.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1272.053201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.053201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.053201 (E_RNA) where: Base-Base interactions energy: -800.277 where: short stacking energy: -390.294 Base-Backbone interact. energy: -3.119 local terms energy: -468.657884 where: bonds (distance) C4'-P energy: -106.995 bonds (distance) P-C4' energy: -107.575 flat angles C4'-P-C4' energy: -109.757 flat angles P-C4'-P energy: -73.531 tors. eta vs tors. theta energy: -70.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1152.083908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.083908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.083908 (E_RNA) where: Base-Base interactions energy: -695.002 where: short stacking energy: -308.278 Base-Backbone interact. energy: -1.715 local terms energy: -455.366991 where: bonds (distance) C4'-P energy: -110.107 bonds (distance) P-C4' energy: -129.825 flat angles C4'-P-C4' energy: -102.534 flat angles P-C4'-P energy: -84.033 tors. eta vs tors. theta energy: -28.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2723.999810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.999810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.999810 (E_RNA) where: Base-Base interactions energy: -1911.719 where: short stacking energy: -827.904 Base-Backbone interact. energy: -3.359 local terms energy: -808.922613 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -143.232 flat angles C4'-P-C4' energy: -177.798 flat angles P-C4'-P energy: -116.780 tors. eta vs tors. theta energy: -240.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2683.520584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.520584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.520584 (E_RNA) where: Base-Base interactions energy: -1889.062 where: short stacking energy: -779.545 Base-Backbone interact. energy: -2.299 local terms energy: -792.159640 where: bonds (distance) C4'-P energy: -141.635 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -181.583 flat angles P-C4'-P energy: -116.754 tors. eta vs tors. theta energy: -225.036 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: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2543.773311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.773311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.773311 (E_RNA) where: Base-Base interactions energy: -1772.838 where: short stacking energy: -758.501 Base-Backbone interact. energy: 0.626 local terms energy: -771.560838 where: bonds (distance) C4'-P energy: -138.376 bonds (distance) P-C4' energy: -155.464 flat angles C4'-P-C4' energy: -154.290 flat angles P-C4'-P energy: -109.372 tors. eta vs tors. theta energy: -214.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2422.210117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.210117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.210117 (E_RNA) where: Base-Base interactions energy: -1669.603 where: short stacking energy: -709.716 Base-Backbone interact. energy: -3.948 local terms energy: -748.658567 where: bonds (distance) C4'-P energy: -138.737 bonds (distance) P-C4' energy: -139.143 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -104.617 tors. eta vs tors. theta energy: -209.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2104.227601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.227601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.227601 (E_RNA) where: Base-Base interactions energy: -1382.356 where: short stacking energy: -648.472 Base-Backbone interact. energy: -2.736 local terms energy: -719.135446 where: bonds (distance) C4'-P energy: -149.759 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -145.057 flat angles P-C4'-P energy: -95.928 tors. eta vs tors. theta energy: -192.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1977.791691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.791691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.791691 (E_RNA) where: Base-Base interactions energy: -1308.018 where: short stacking energy: -594.334 Base-Backbone interact. energy: -2.855 local terms energy: -666.918939 where: bonds (distance) C4'-P energy: -116.815 bonds (distance) P-C4' energy: -151.465 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -79.090 tors. eta vs tors. theta energy: -169.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1788.880742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.880742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.880742 (E_RNA) where: Base-Base interactions energy: -1190.372 where: short stacking energy: -505.668 Base-Backbone interact. energy: -1.947 local terms energy: -596.561092 where: bonds (distance) C4'-P energy: -128.827 bonds (distance) P-C4' energy: -130.536 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -94.931 tors. eta vs tors. theta energy: -119.426 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: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1605.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.774775 (E_RNA) where: Base-Base interactions energy: -1018.990 where: short stacking energy: -471.535 Base-Backbone interact. energy: -3.008 local terms energy: -583.776287 where: bonds (distance) C4'-P energy: -113.679 bonds (distance) P-C4' energy: -127.945 flat angles C4'-P-C4' energy: -127.822 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -121.389 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: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1247.241593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.241593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.241593 (E_RNA) where: Base-Base interactions energy: -739.434 where: short stacking energy: -349.843 Base-Backbone interact. energy: 4.387 local terms energy: -512.194143 where: bonds (distance) C4'-P energy: -113.534 bonds (distance) P-C4' energy: -129.966 flat angles C4'-P-C4' energy: -122.806 flat angles P-C4'-P energy: -82.591 tors. eta vs tors. theta energy: -63.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1041.411553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.411553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.411553 (E_RNA) where: Base-Base interactions energy: -613.031 where: short stacking energy: -281.245 Base-Backbone interact. energy: 2.190 local terms energy: -430.571357 where: bonds (distance) C4'-P energy: -100.587 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -111.582 flat angles P-C4'-P energy: -76.689 tors. eta vs tors. theta energy: -11.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2733.023378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.023378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.023378 (E_RNA) where: Base-Base interactions energy: -1910.834 where: short stacking energy: -813.009 Base-Backbone interact. energy: -2.235 local terms energy: -819.953510 where: bonds (distance) C4'-P energy: -145.287 bonds (distance) P-C4' energy: -143.891 flat angles C4'-P-C4' energy: -180.681 flat angles P-C4'-P energy: -113.023 tors. eta vs tors. theta energy: -237.072 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: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2661.240765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.240765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.240765 (E_RNA) where: Base-Base interactions energy: -1862.680 where: short stacking energy: -758.857 Base-Backbone interact. energy: -2.245 local terms energy: -796.316197 where: bonds (distance) C4'-P energy: -152.502 bonds (distance) P-C4' energy: -138.659 flat angles C4'-P-C4' energy: -161.881 flat angles P-C4'-P energy: -113.877 tors. eta vs tors. theta energy: -229.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2511.682049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.682049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.682049 (E_RNA) where: Base-Base interactions energy: -1762.020 where: short stacking energy: -729.618 Base-Backbone interact. energy: 0.896 local terms energy: -750.557676 where: bonds (distance) C4'-P energy: -141.091 bonds (distance) P-C4' energy: -135.374 flat angles C4'-P-C4' energy: -151.498 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -213.933 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: 336 Temperature: 1.050000 Total energy: -2392.858560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.858560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.858560 (E_RNA) where: Base-Base interactions energy: -1656.520 where: short stacking energy: -692.949 Base-Backbone interact. energy: -5.136 local terms energy: -731.202322 where: bonds (distance) C4'-P energy: -138.128 bonds (distance) P-C4' energy: -127.976 flat angles C4'-P-C4' energy: -166.825 flat angles P-C4'-P energy: -103.746 tors. eta vs tors. theta energy: -194.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2072.945412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.945412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.945412 (E_RNA) where: Base-Base interactions energy: -1387.466 where: short stacking energy: -627.354 Base-Backbone interact. energy: -0.680 local terms energy: -684.799871 where: bonds (distance) C4'-P energy: -121.492 bonds (distance) P-C4' energy: -147.805 flat angles C4'-P-C4' energy: -144.041 flat angles P-C4'-P energy: -93.125 tors. eta vs tors. theta energy: -178.336 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: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1981.128985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.128985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.128985 (E_RNA) where: Base-Base interactions energy: -1331.166 where: short stacking energy: -588.299 Base-Backbone interact. energy: -3.410 local terms energy: -646.553055 where: bonds (distance) C4'-P energy: -119.524 bonds (distance) P-C4' energy: -131.858 flat angles C4'-P-C4' energy: -146.638 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -170.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1843.452837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.452837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.452837 (E_RNA) where: Base-Base interactions energy: -1225.378 where: short stacking energy: -521.253 Base-Backbone interact. energy: 0.924 local terms energy: -618.998717 where: bonds (distance) C4'-P energy: -130.242 bonds (distance) P-C4' energy: -137.180 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -80.309 tors. eta vs tors. theta energy: -129.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1615.054163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.054163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.054163 (E_RNA) where: Base-Base interactions energy: -1083.113 where: short stacking energy: -480.281 Base-Backbone interact. energy: -1.827 local terms energy: -530.114564 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -112.672 flat angles C4'-P-C4' energy: -123.302 flat angles P-C4'-P energy: -75.150 tors. eta vs tors. theta energy: -103.111 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: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1262.544236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.544236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.544236 (E_RNA) where: Base-Base interactions energy: -764.422 where: short stacking energy: -345.904 Base-Backbone interact. energy: 1.656 local terms energy: -499.778673 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -108.244 flat angles P-C4'-P energy: -71.723 tors. eta vs tors. theta energy: -57.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1049.981195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.981195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.981195 (E_RNA) where: Base-Base interactions energy: -641.508 where: short stacking energy: -321.990 Base-Backbone interact. energy: 5.047 local terms energy: -413.519954 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -106.040 flat angles C4'-P-C4' energy: -111.661 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -25.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2741.291498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.291498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.291498 (E_RNA) where: Base-Base interactions energy: -1887.434 where: short stacking energy: -799.680 Base-Backbone interact. energy: 1.579 local terms energy: -855.437010 where: bonds (distance) C4'-P energy: -156.957 bonds (distance) P-C4' energy: -153.301 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -131.493 tors. eta vs tors. theta energy: -248.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2684.491302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.491302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.491302 (E_RNA) where: Base-Base interactions energy: -1910.823 where: short stacking energy: -778.814 Base-Backbone interact. energy: 2.854 local terms energy: -776.521912 where: bonds (distance) C4'-P energy: -126.691 bonds (distance) P-C4' energy: -136.015 flat angles C4'-P-C4' energy: -171.882 flat angles P-C4'-P energy: -123.412 tors. eta vs tors. theta energy: -218.522 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: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2566.165145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.165145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.165145 (E_RNA) where: Base-Base interactions energy: -1802.251 where: short stacking energy: -724.176 Base-Backbone interact. energy: 0.175 local terms energy: -764.088832 where: bonds (distance) C4'-P energy: -143.793 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -165.535 flat angles P-C4'-P energy: -109.432 tors. eta vs tors. theta energy: -210.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2375.676879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.676879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.676879 (E_RNA) where: Base-Base interactions energy: -1649.159 where: short stacking energy: -691.172 Base-Backbone interact. energy: -5.517 local terms energy: -721.001056 where: bonds (distance) C4'-P energy: -127.402 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -152.754 flat angles P-C4'-P energy: -100.081 tors. eta vs tors. theta energy: -195.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2080.812771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.812771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.812771 (E_RNA) where: Base-Base interactions energy: -1421.370 where: short stacking energy: -610.026 Base-Backbone interact. energy: 4.683 local terms energy: -664.126025 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -146.609 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -167.981 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: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1968.183743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.183743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.183743 (E_RNA) where: Base-Base interactions energy: -1336.102 where: short stacking energy: -617.733 Base-Backbone interact. energy: -2.450 local terms energy: -629.631249 where: bonds (distance) C4'-P energy: -123.031 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -136.832 flat angles P-C4'-P energy: -80.054 tors. eta vs tors. theta energy: -170.053 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: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1834.016682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.016682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.016682 (E_RNA) where: Base-Base interactions energy: -1227.063 where: short stacking energy: -523.026 Base-Backbone interact. energy: -2.373 local terms energy: -604.580555 where: bonds (distance) C4'-P energy: -125.540 bonds (distance) P-C4' energy: -131.851 flat angles C4'-P-C4' energy: -137.347 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -132.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1495.517380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.517380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.517380 (E_RNA) where: Base-Base interactions energy: -948.551 where: short stacking energy: -449.101 Base-Backbone interact. energy: -1.486 local terms energy: -545.480635 where: bonds (distance) C4'-P energy: -137.009 bonds (distance) P-C4' energy: -130.915 flat angles C4'-P-C4' energy: -119.186 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -81.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1255.026333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.026333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.026333 (E_RNA) where: Base-Base interactions energy: -790.653 where: short stacking energy: -372.449 Base-Backbone interact. energy: 0.265 local terms energy: -464.638474 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -105.501 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -76.318 tors. eta vs tors. theta energy: -57.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1053.446036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.446036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.446036 (E_RNA) where: Base-Base interactions energy: -622.222 where: short stacking energy: -307.253 Base-Backbone interact. energy: 0.709 local terms energy: -431.932491 where: bonds (distance) C4'-P energy: -116.226 bonds (distance) P-C4' energy: -141.337 flat angles C4'-P-C4' energy: -100.520 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -15.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2738.591502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.591502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.591502 (E_RNA) where: Base-Base interactions energy: -1875.207 where: short stacking energy: -815.888 Base-Backbone interact. energy: -1.334 local terms energy: -862.050065 where: bonds (distance) C4'-P energy: -168.357 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -170.667 flat angles P-C4'-P energy: -121.763 tors. eta vs tors. theta energy: -243.623 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: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2697.155664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.155664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.155664 (E_RNA) where: Base-Base interactions energy: -1905.289 where: short stacking energy: -779.177 Base-Backbone interact. energy: 1.445 local terms energy: -793.312137 where: bonds (distance) C4'-P energy: -150.985 bonds (distance) P-C4' energy: -134.014 flat angles C4'-P-C4' energy: -173.945 flat angles P-C4'-P energy: -113.904 tors. eta vs tors. theta energy: -220.463 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: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2572.502548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.502548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.502548 (E_RNA) where: Base-Base interactions energy: -1791.664 where: short stacking energy: -729.039 Base-Backbone interact. energy: -2.230 local terms energy: -778.608021 where: bonds (distance) C4'-P energy: -155.014 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -159.783 flat angles P-C4'-P energy: -109.073 tors. eta vs tors. theta energy: -212.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2374.991793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.991793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.991793 (E_RNA) where: Base-Base interactions energy: -1634.498 where: short stacking energy: -721.478 Base-Backbone interact. energy: -1.530 local terms energy: -738.963714 where: bonds (distance) C4'-P energy: -121.151 bonds (distance) P-C4' energy: -142.802 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -109.422 tors. eta vs tors. theta energy: -213.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2077.657823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.657823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.657823 (E_RNA) where: Base-Base interactions energy: -1424.941 where: short stacking energy: -615.929 Base-Backbone interact. energy: -5.432 local terms energy: -647.285252 where: bonds (distance) C4'-P energy: -112.335 bonds (distance) P-C4' energy: -130.689 flat angles C4'-P-C4' energy: -154.372 flat angles P-C4'-P energy: -78.005 tors. eta vs tors. theta energy: -171.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2003.719381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.719381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.719381 (E_RNA) where: Base-Base interactions energy: -1326.433 where: short stacking energy: -612.025 Base-Backbone interact. energy: 6.747 local terms energy: -684.033331 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -130.469 flat angles C4'-P-C4' energy: -159.372 flat angles P-C4'-P energy: -91.919 tors. eta vs tors. theta energy: -171.602 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: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1831.045047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.045047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.045047 (E_RNA) where: Base-Base interactions energy: -1200.991 where: short stacking energy: -542.545 Base-Backbone interact. energy: -0.120 local terms energy: -629.933688 where: bonds (distance) C4'-P energy: -125.914 bonds (distance) P-C4' energy: -119.421 flat angles C4'-P-C4' energy: -139.793 flat angles P-C4'-P energy: -94.434 tors. eta vs tors. theta energy: -150.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1465.684635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.684635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.684635 (E_RNA) where: Base-Base interactions energy: -919.269 where: short stacking energy: -396.662 Base-Backbone interact. energy: -2.619 local terms energy: -543.796889 where: bonds (distance) C4'-P energy: -130.299 bonds (distance) P-C4' energy: -128.276 flat angles C4'-P-C4' energy: -130.630 flat angles P-C4'-P energy: -77.005 tors. eta vs tors. theta energy: -77.586 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: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1300.097341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.097341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.097341 (E_RNA) where: Base-Base interactions energy: -793.782 where: short stacking energy: -324.129 Base-Backbone interact. energy: -3.630 local terms energy: -502.684890 where: bonds (distance) C4'-P energy: -135.549 bonds (distance) P-C4' energy: -131.218 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -44.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1085.972913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.972913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.972913 (E_RNA) where: Base-Base interactions energy: -640.885 where: short stacking energy: -294.810 Base-Backbone interact. energy: -2.841 local terms energy: -442.246826 where: bonds (distance) C4'-P energy: -126.752 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -111.595 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -27.120 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: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2739.003900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.003900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.003900 (E_RNA) where: Base-Base interactions energy: -1906.845 where: short stacking energy: -811.099 Base-Backbone interact. energy: -2.207 local terms energy: -829.950997 where: bonds (distance) C4'-P energy: -144.093 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -181.851 flat angles P-C4'-P energy: -119.596 tors. eta vs tors. theta energy: -243.548 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: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2705.230430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.230430 (E_RNA) where: Base-Base interactions energy: -1889.398 where: short stacking energy: -780.076 Base-Backbone interact. energy: -7.190 local terms energy: -808.642282 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -155.440 flat angles C4'-P-C4' energy: -166.023 flat angles P-C4'-P energy: -121.065 tors. eta vs tors. theta energy: -219.841 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: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2548.818545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.818545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.818545 (E_RNA) where: Base-Base interactions energy: -1804.198 where: short stacking energy: -731.695 Base-Backbone interact. energy: -3.207 local terms energy: -741.414211 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -121.097 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -103.243 tors. eta vs tors. theta energy: -202.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2391.504024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.504024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.504024 (E_RNA) where: Base-Base interactions energy: -1657.356 where: short stacking energy: -710.747 Base-Backbone interact. energy: -2.591 local terms energy: -731.556836 where: bonds (distance) C4'-P energy: -131.787 bonds (distance) P-C4' energy: -127.879 flat angles C4'-P-C4' energy: -162.046 flat angles P-C4'-P energy: -112.318 tors. eta vs tors. theta energy: -197.527 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: 1 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2081.310968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.310968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.310968 (E_RNA) where: Base-Base interactions energy: -1396.916 where: short stacking energy: -589.403 Base-Backbone interact. energy: -5.189 local terms energy: -679.206011 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -138.231 flat angles C4'-P-C4' energy: -147.005 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -175.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2002.750936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.750936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.750936 (E_RNA) where: Base-Base interactions energy: -1321.858 where: short stacking energy: -578.741 Base-Backbone interact. energy: -1.941 local terms energy: -678.952175 where: bonds (distance) C4'-P energy: -132.725 bonds (distance) P-C4' energy: -134.155 flat angles C4'-P-C4' energy: -144.323 flat angles P-C4'-P energy: -95.341 tors. eta vs tors. theta energy: -172.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1832.309887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.309887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.309887 (E_RNA) where: Base-Base interactions energy: -1227.255 where: short stacking energy: -532.671 Base-Backbone interact. energy: -0.794 local terms energy: -604.261194 where: bonds (distance) C4'-P energy: -118.415 bonds (distance) P-C4' energy: -131.055 flat angles C4'-P-C4' energy: -136.361 flat angles P-C4'-P energy: -88.120 tors. eta vs tors. theta energy: -130.311 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: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1493.198010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.198010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.198010 (E_RNA) where: Base-Base interactions energy: -940.306 where: short stacking energy: -431.274 Base-Backbone interact. energy: -4.139 local terms energy: -548.753206 where: bonds (distance) C4'-P energy: -115.156 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -135.181 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: -86.390 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: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1316.254315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.254315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.254315 (E_RNA) where: Base-Base interactions energy: -815.753 where: short stacking energy: -365.235 Base-Backbone interact. energy: 2.752 local terms energy: -503.252851 where: bonds (distance) C4'-P energy: -130.436 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -119.525 flat angles P-C4'-P energy: -65.788 tors. eta vs tors. theta energy: -59.804 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: 339 Temperature: 1.350000 Total energy: -1066.749298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.749298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.749298 (E_RNA) where: Base-Base interactions energy: -630.815 where: short stacking energy: -292.242 Base-Backbone interact. energy: -1.960 local terms energy: -433.974691 where: bonds (distance) C4'-P energy: -106.477 bonds (distance) P-C4' energy: -123.493 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -57.948 tors. eta vs tors. theta energy: -38.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2754.804397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.804397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.804397 (E_RNA) where: Base-Base interactions energy: -1921.774 where: short stacking energy: -820.621 Base-Backbone interact. energy: -0.437 local terms energy: -832.594179 where: bonds (distance) C4'-P energy: -146.637 bonds (distance) P-C4' energy: -164.744 flat angles C4'-P-C4' energy: -166.623 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -242.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2710.030772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.030772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.030772 (E_RNA) where: Base-Base interactions energy: -1908.367 where: short stacking energy: -786.731 Base-Backbone interact. energy: -5.438 local terms energy: -796.225896 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -157.618 flat angles C4'-P-C4' energy: -173.107 flat angles P-C4'-P energy: -120.267 tors. eta vs tors. theta energy: -216.717 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: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2551.453638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.453638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.453638 (E_RNA) where: Base-Base interactions energy: -1801.862 where: short stacking energy: -736.265 Base-Backbone interact. energy: -1.619 local terms energy: -747.972875 where: bonds (distance) C4'-P energy: -124.135 bonds (distance) P-C4' energy: -148.755 flat angles C4'-P-C4' energy: -159.711 flat angles P-C4'-P energy: -108.177 tors. eta vs tors. theta energy: -207.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2399.487513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.487513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.487513 (E_RNA) where: Base-Base interactions energy: -1620.607 where: short stacking energy: -688.114 Base-Backbone interact. energy: -4.584 local terms energy: -774.297024 where: bonds (distance) C4'-P energy: -136.660 bonds (distance) P-C4' energy: -157.677 flat angles C4'-P-C4' energy: -171.303 flat angles P-C4'-P energy: -113.380 tors. eta vs tors. theta energy: -195.278 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: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2056.776796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.776796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.776796 (E_RNA) where: Base-Base interactions energy: -1358.114 where: short stacking energy: -606.968 Base-Backbone interact. energy: -2.493 local terms energy: -696.169940 where: bonds (distance) C4'-P energy: -137.023 bonds (distance) P-C4' energy: -130.015 flat angles C4'-P-C4' energy: -150.700 flat angles P-C4'-P energy: -109.996 tors. eta vs tors. theta energy: -168.436 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: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2010.948215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.948215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.948215 (E_RNA) where: Base-Base interactions energy: -1343.502 where: short stacking energy: -596.462 Base-Backbone interact. energy: -1.822 local terms energy: -665.624583 where: bonds (distance) C4'-P energy: -134.312 bonds (distance) P-C4' energy: -135.897 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -97.794 tors. eta vs tors. theta energy: -162.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1886.607598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.607598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.607598 (E_RNA) where: Base-Base interactions energy: -1299.923 where: short stacking energy: -565.688 Base-Backbone interact. energy: -3.113 local terms energy: -583.572045 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -117.640 flat angles C4'-P-C4' energy: -121.533 flat angles P-C4'-P energy: -82.946 tors. eta vs tors. theta energy: -141.049 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: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1388.736496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.736496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.736496 (E_RNA) where: Base-Base interactions energy: -904.365 where: short stacking energy: -401.910 Base-Backbone interact. energy: -0.489 local terms energy: -483.882079 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -113.305 flat angles C4'-P-C4' energy: -116.273 flat angles P-C4'-P energy: -93.732 tors. eta vs tors. theta energy: -61.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1259.294697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.294697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.294697 (E_RNA) where: Base-Base interactions energy: -782.778 where: short stacking energy: -366.731 Base-Backbone interact. energy: -2.088 local terms energy: -474.429267 where: bonds (distance) C4'-P energy: -123.982 bonds (distance) P-C4' energy: -129.736 flat angles C4'-P-C4' energy: -105.745 flat angles P-C4'-P energy: -67.497 tors. eta vs tors. theta energy: -47.469 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: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1075.934940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.934940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.934940 (E_RNA) where: Base-Base interactions energy: -648.218 where: short stacking energy: -321.369 Base-Backbone interact. energy: -1.323 local terms energy: -426.393175 where: bonds (distance) C4'-P energy: -105.810 bonds (distance) P-C4' energy: -132.435 flat angles C4'-P-C4' energy: -93.346 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -21.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2736.022047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.022047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.022047 (E_RNA) where: Base-Base interactions energy: -1904.296 where: short stacking energy: -814.986 Base-Backbone interact. energy: -0.503 local terms energy: -831.223012 where: bonds (distance) C4'-P energy: -148.652 bonds (distance) P-C4' energy: -147.936 flat angles C4'-P-C4' energy: -177.354 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -239.874 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: 341 Temperature: 0.950000 Total energy: -2702.364544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.364544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.364544 (E_RNA) where: Base-Base interactions energy: -1922.543 where: short stacking energy: -795.813 Base-Backbone interact. energy: -4.106 local terms energy: -775.716267 where: bonds (distance) C4'-P energy: -153.504 bonds (distance) P-C4' energy: -133.365 flat angles C4'-P-C4' energy: -174.033 flat angles P-C4'-P energy: -92.822 tors. eta vs tors. theta energy: -221.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2531.617571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.617571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.617571 (E_RNA) where: Base-Base interactions energy: -1778.955 where: short stacking energy: -728.989 Base-Backbone interact. energy: -4.078 local terms energy: -748.584541 where: bonds (distance) C4'-P energy: -144.071 bonds (distance) P-C4' energy: -128.998 flat angles C4'-P-C4' energy: -160.788 flat angles P-C4'-P energy: -110.959 tors. eta vs tors. theta energy: -203.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2374.783057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.783057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.783057 (E_RNA) where: Base-Base interactions energy: -1644.818 where: short stacking energy: -713.093 Base-Backbone interact. energy: -3.042 local terms energy: -726.923617 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -126.106 flat angles C4'-P-C4' energy: -156.104 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -207.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2099.736795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.736795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.736795 (E_RNA) where: Base-Base interactions energy: -1415.250 where: short stacking energy: -634.199 Base-Backbone interact. energy: 4.310 local terms energy: -688.797190 where: bonds (distance) C4'-P energy: -128.916 bonds (distance) P-C4' energy: -137.148 flat angles C4'-P-C4' energy: -144.133 flat angles P-C4'-P energy: -91.690 tors. eta vs tors. theta energy: -186.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1926.573906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.573906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.573906 (E_RNA) where: Base-Base interactions energy: -1301.423 where: short stacking energy: -586.107 Base-Backbone interact. energy: 0.596 local terms energy: -625.747300 where: bonds (distance) C4'-P energy: -121.185 bonds (distance) P-C4' energy: -119.651 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -152.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1866.782211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.782211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.782211 (E_RNA) where: Base-Base interactions energy: -1264.520 where: short stacking energy: -533.259 Base-Backbone interact. energy: -1.062 local terms energy: -601.200421 where: bonds (distance) C4'-P energy: -128.690 bonds (distance) P-C4' energy: -121.543 flat angles C4'-P-C4' energy: -142.412 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -123.889 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1376.021893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.021893 (E_RNA) where: Base-Base interactions energy: -875.117 where: short stacking energy: -409.025 Base-Backbone interact. energy: -2.314 local terms energy: -498.591346 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -120.753 flat angles C4'-P-C4' energy: -111.317 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -73.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1220.885107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.885107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.885107 (E_RNA) where: Base-Base interactions energy: -739.261 where: short stacking energy: -332.692 Base-Backbone interact. energy: 3.258 local terms energy: -484.881329 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -114.728 flat angles P-C4'-P energy: -75.764 tors. eta vs tors. theta energy: -59.294 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: 10, replica: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1092.290622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.290622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.290622 (E_RNA) where: Base-Base interactions energy: -644.032 where: short stacking energy: -307.416 Base-Backbone interact. energy: 0.157 local terms energy: -448.415157 where: bonds (distance) C4'-P energy: -105.109 bonds (distance) P-C4' energy: -110.958 flat angles C4'-P-C4' energy: -121.471 flat angles P-C4'-P energy: -86.123 tors. eta vs tors. theta energy: -24.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2739.348701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.348701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.348701 (E_RNA) where: Base-Base interactions energy: -1928.715 where: short stacking energy: -813.133 Base-Backbone interact. energy: -1.773 local terms energy: -808.860859 where: bonds (distance) C4'-P energy: -153.466 bonds (distance) P-C4' energy: -147.903 flat angles C4'-P-C4' energy: -166.176 flat angles P-C4'-P energy: -112.885 tors. eta vs tors. theta energy: -228.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2678.969520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.969520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.969520 (E_RNA) where: Base-Base interactions energy: -1900.865 where: short stacking energy: -769.583 Base-Backbone interact. energy: -2.256 local terms energy: -775.849009 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -162.972 flat angles P-C4'-P energy: -107.093 tors. eta vs tors. theta energy: -209.887 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: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2551.028692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.028692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.028692 (E_RNA) where: Base-Base interactions energy: -1797.840 where: short stacking energy: -744.197 Base-Backbone interact. energy: -1.399 local terms energy: -751.789415 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -142.000 flat angles C4'-P-C4' energy: -165.640 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -212.012 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: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2345.539712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.539712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.539712 (E_RNA) where: Base-Base interactions energy: -1621.685 where: short stacking energy: -703.463 Base-Backbone interact. energy: -1.452 local terms energy: -722.402400 where: bonds (distance) C4'-P energy: -134.337 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -91.518 tors. eta vs tors. theta energy: -199.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2143.435770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.435770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.435770 (E_RNA) where: Base-Base interactions energy: -1424.285 where: short stacking energy: -624.117 Base-Backbone interact. energy: -0.630 local terms energy: -718.521416 where: bonds (distance) C4'-P energy: -128.130 bonds (distance) P-C4' energy: -150.112 flat angles C4'-P-C4' energy: -142.305 flat angles P-C4'-P energy: -102.267 tors. eta vs tors. theta energy: -195.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1948.223213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.223213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.223213 (E_RNA) where: Base-Base interactions energy: -1327.422 where: short stacking energy: -585.805 Base-Backbone interact. energy: -4.328 local terms energy: -616.472839 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -145.891 flat angles P-C4'-P energy: -77.730 tors. eta vs tors. theta energy: -163.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1852.209927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.209927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.209927 (E_RNA) where: Base-Base interactions energy: -1250.224 where: short stacking energy: -535.437 Base-Backbone interact. energy: 3.939 local terms energy: -605.925295 where: bonds (distance) C4'-P energy: -122.712 bonds (distance) P-C4' energy: -130.169 flat angles C4'-P-C4' energy: -143.640 flat angles P-C4'-P energy: -80.365 tors. eta vs tors. theta energy: -129.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1370.998877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.998877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.998877 (E_RNA) where: Base-Base interactions energy: -852.996 where: short stacking energy: -377.366 Base-Backbone interact. energy: -0.121 local terms energy: -517.882061 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -125.527 flat angles C4'-P-C4' energy: -133.698 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -80.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1204.292814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.292814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.292814 (E_RNA) where: Base-Base interactions energy: -737.370 where: short stacking energy: -358.883 Base-Backbone interact. energy: -2.032 local terms energy: -464.890314 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -108.405 flat angles C4'-P-C4' energy: -113.621 flat angles P-C4'-P energy: -88.904 tors. eta vs tors. theta energy: -49.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1110.865768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.865768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.865768 (E_RNA) where: Base-Base interactions energy: -663.134 where: short stacking energy: -313.854 Base-Backbone interact. energy: 1.968 local terms energy: -449.700412 where: bonds (distance) C4'-P energy: -126.782 bonds (distance) P-C4' energy: -120.979 flat angles C4'-P-C4' energy: -94.111 flat angles P-C4'-P energy: -76.447 tors. eta vs tors. theta energy: -31.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2732.074682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.074682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.074682 (E_RNA) where: Base-Base interactions energy: -1915.769 where: short stacking energy: -814.975 Base-Backbone interact. energy: -2.973 local terms energy: -813.332140 where: bonds (distance) C4'-P energy: -150.154 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -166.406 flat angles P-C4'-P energy: -123.721 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: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2617.143677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.143677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.143677 (E_RNA) where: Base-Base interactions energy: -1855.542 where: short stacking energy: -771.125 Base-Backbone interact. energy: 0.329 local terms energy: -761.930905 where: bonds (distance) C4'-P energy: -136.385 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -164.041 flat angles P-C4'-P energy: -96.463 tors. eta vs tors. theta energy: -221.086 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: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2562.213484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.213484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.213484 (E_RNA) where: Base-Base interactions energy: -1812.958 where: short stacking energy: -757.843 Base-Backbone interact. energy: -2.173 local terms energy: -747.082506 where: bonds (distance) C4'-P energy: -136.871 bonds (distance) P-C4' energy: -146.345 flat angles C4'-P-C4' energy: -163.997 flat angles P-C4'-P energy: -96.930 tors. eta vs tors. theta energy: -202.940 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: 343 Temperature: 1.050000 Total energy: -2368.281874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.281874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.281874 (E_RNA) where: Base-Base interactions energy: -1620.883 where: short stacking energy: -684.049 Base-Backbone interact. energy: 0.236 local terms energy: -747.634524 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -140.833 flat angles C4'-P-C4' energy: -163.212 flat angles P-C4'-P energy: -105.348 tors. eta vs tors. theta energy: -196.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2063.598688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.598688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.598688 (E_RNA) where: Base-Base interactions energy: -1384.433 where: short stacking energy: -616.918 Base-Backbone interact. energy: -3.682 local terms energy: -675.483133 where: bonds (distance) C4'-P energy: -124.825 bonds (distance) P-C4' energy: -136.620 flat angles C4'-P-C4' energy: -156.455 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -169.495 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1987.943243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.943243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.943243 (E_RNA) where: Base-Base interactions energy: -1333.442 where: short stacking energy: -598.048 Base-Backbone interact. energy: -1.339 local terms energy: -653.162224 where: bonds (distance) C4'-P energy: -115.335 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -144.664 flat angles P-C4'-P energy: -89.949 tors. eta vs tors. theta energy: -162.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1782.534185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.534185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.534185 (E_RNA) where: Base-Base interactions energy: -1188.409 where: short stacking energy: -513.736 Base-Backbone interact. energy: 5.301 local terms energy: -599.426157 where: bonds (distance) C4'-P energy: -133.773 bonds (distance) P-C4' energy: -129.361 flat angles C4'-P-C4' energy: -144.781 flat angles P-C4'-P energy: -92.727 tors. eta vs tors. theta energy: -98.783 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: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1342.433983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.433983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.433983 (E_RNA) where: Base-Base interactions energy: -835.546 where: short stacking energy: -381.883 Base-Backbone interact. energy: -0.487 local terms energy: -506.401592 where: bonds (distance) C4'-P energy: -106.512 bonds (distance) P-C4' energy: -117.552 flat angles C4'-P-C4' energy: -133.419 flat angles P-C4'-P energy: -77.956 tors. eta vs tors. theta energy: -70.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1163.228076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.228076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.228076 (E_RNA) where: Base-Base interactions energy: -681.102 where: short stacking energy: -309.814 Base-Backbone interact. energy: -0.254 local terms energy: -481.872196 where: bonds (distance) C4'-P energy: -116.420 bonds (distance) P-C4' energy: -132.351 flat angles C4'-P-C4' energy: -119.941 flat angles P-C4'-P energy: -69.941 tors. eta vs tors. theta energy: -43.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1140.251478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.251478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.251478 (E_RNA) where: Base-Base interactions energy: -699.273 where: short stacking energy: -300.996 Base-Backbone interact. energy: -3.119 local terms energy: -437.859803 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -117.771 flat angles C4'-P-C4' energy: -118.101 flat angles P-C4'-P energy: -55.560 tors. eta vs tors. theta energy: -23.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2750.136713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.136713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.136713 (E_RNA) where: Base-Base interactions energy: -1920.283 where: short stacking energy: -805.781 Base-Backbone interact. energy: -3.632 local terms energy: -826.222166 where: bonds (distance) C4'-P energy: -151.750 bonds (distance) P-C4' energy: -142.379 flat angles C4'-P-C4' energy: -176.716 flat angles P-C4'-P energy: -116.721 tors. eta vs tors. theta energy: -238.657 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: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2618.516551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.516551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.516551 (E_RNA) where: Base-Base interactions energy: -1837.541 where: short stacking energy: -779.688 Base-Backbone interact. energy: -1.802 local terms energy: -779.173562 where: bonds (distance) C4'-P energy: -158.806 bonds (distance) P-C4' energy: -139.038 flat angles C4'-P-C4' energy: -148.577 flat angles P-C4'-P energy: -110.589 tors. eta vs tors. theta energy: -222.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2582.568737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.568737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.568737 (E_RNA) where: Base-Base interactions energy: -1820.868 where: short stacking energy: -768.099 Base-Backbone interact. energy: -0.973 local terms energy: -760.727016 where: bonds (distance) C4'-P energy: -133.671 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -166.124 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -207.309 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: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2356.373193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.373193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.373193 (E_RNA) where: Base-Base interactions energy: -1593.952 where: short stacking energy: -694.749 Base-Backbone interact. energy: -2.932 local terms energy: -759.488749 where: bonds (distance) C4'-P energy: -140.880 bonds (distance) P-C4' energy: -146.438 flat angles C4'-P-C4' energy: -171.143 flat angles P-C4'-P energy: -98.372 tors. eta vs tors. theta energy: -202.656 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: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2104.977099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.977099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.977099 (E_RNA) where: Base-Base interactions energy: -1397.264 where: short stacking energy: -591.989 Base-Backbone interact. energy: -1.826 local terms energy: -705.886876 where: bonds (distance) C4'-P energy: -134.260 bonds (distance) P-C4' energy: -143.612 flat angles C4'-P-C4' energy: -158.839 flat angles P-C4'-P energy: -98.048 tors. eta vs tors. theta energy: -171.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1988.819113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.819113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.819113 (E_RNA) where: Base-Base interactions energy: -1377.816 where: short stacking energy: -584.985 Base-Backbone interact. energy: -0.603 local terms energy: -610.399374 where: bonds (distance) C4'-P energy: -113.554 bonds (distance) P-C4' energy: -115.766 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -146.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1776.005962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.005962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.005962 (E_RNA) where: Base-Base interactions energy: -1201.915 where: short stacking energy: -526.743 Base-Backbone interact. energy: 5.546 local terms energy: -579.637163 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -121.654 flat angles C4'-P-C4' energy: -133.205 flat angles P-C4'-P energy: -81.272 tors. eta vs tors. theta energy: -124.297 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: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1374.604698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.604698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.604698 (E_RNA) where: Base-Base interactions energy: -842.502 where: short stacking energy: -401.265 Base-Backbone interact. energy: -2.851 local terms energy: -529.251269 where: bonds (distance) C4'-P energy: -113.292 bonds (distance) P-C4' energy: -136.106 flat angles C4'-P-C4' energy: -127.249 flat angles P-C4'-P energy: -72.923 tors. eta vs tors. theta energy: -79.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1235.594065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.594065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.594065 (E_RNA) where: Base-Base interactions energy: -795.104 where: short stacking energy: -368.680 Base-Backbone interact. energy: -2.828 local terms energy: -437.661845 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -105.961 flat angles C4'-P-C4' energy: -103.785 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -48.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1088.741510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.741510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.741510 (E_RNA) where: Base-Base interactions energy: -631.119 where: short stacking energy: -313.241 Base-Backbone interact. energy: 1.050 local terms energy: -458.672179 where: bonds (distance) C4'-P energy: -114.667 bonds (distance) P-C4' energy: -129.406 flat angles C4'-P-C4' energy: -128.990 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -34.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2771.586904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.586904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.586904 (E_RNA) where: Base-Base interactions energy: -1944.153 where: short stacking energy: -825.194 Base-Backbone interact. energy: -3.889 local terms energy: -823.544135 where: bonds (distance) C4'-P energy: -137.939 bonds (distance) P-C4' energy: -157.371 flat angles C4'-P-C4' energy: -170.491 flat angles P-C4'-P energy: -111.865 tors. eta vs tors. theta energy: -245.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2620.563092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.563092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.563092 (E_RNA) where: Base-Base interactions energy: -1814.848 where: short stacking energy: -757.515 Base-Backbone interact. energy: -2.823 local terms energy: -802.891819 where: bonds (distance) C4'-P energy: -145.378 bonds (distance) P-C4' energy: -148.261 flat angles C4'-P-C4' energy: -156.785 flat angles P-C4'-P energy: -126.389 tors. eta vs tors. theta energy: -226.080 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: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2553.146563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.146563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.146563 (E_RNA) where: Base-Base interactions energy: -1804.697 where: short stacking energy: -766.122 Base-Backbone interact. energy: -1.776 local terms energy: -746.672940 where: bonds (distance) C4'-P energy: -137.967 bonds (distance) P-C4' energy: -134.783 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -216.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2345.590868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.590868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.590868 (E_RNA) where: Base-Base interactions energy: -1619.884 where: short stacking energy: -704.267 Base-Backbone interact. energy: -2.702 local terms energy: -723.005250 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -143.283 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -111.380 tors. eta vs tors. theta energy: -203.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2157.235523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.235523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.235523 (E_RNA) where: Base-Base interactions energy: -1459.293 where: short stacking energy: -649.854 Base-Backbone interact. energy: -1.062 local terms energy: -696.881003 where: bonds (distance) C4'-P energy: -123.374 bonds (distance) P-C4' energy: -144.925 flat angles C4'-P-C4' energy: -154.031 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -191.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1992.400624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.400624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.400624 (E_RNA) where: Base-Base interactions energy: -1327.936 where: short stacking energy: -554.609 Base-Backbone interact. energy: -2.618 local terms energy: -661.846890 where: bonds (distance) C4'-P energy: -138.187 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -148.016 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -144.922 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: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1747.123630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.123630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.123630 (E_RNA) where: Base-Base interactions energy: -1201.914 where: short stacking energy: -513.562 Base-Backbone interact. energy: -0.755 local terms energy: -544.454216 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -124.099 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -115.557 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: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1481.127490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.127490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.127490 (E_RNA) where: Base-Base interactions energy: -952.594 where: short stacking energy: -410.593 Base-Backbone interact. energy: -1.098 local terms energy: -527.435325 where: bonds (distance) C4'-P energy: -108.597 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -134.807 flat angles P-C4'-P energy: -79.903 tors. eta vs tors. theta energy: -73.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1177.525720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.525720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.525720 (E_RNA) where: Base-Base interactions energy: -713.816 where: short stacking energy: -336.388 Base-Backbone interact. energy: 4.160 local terms energy: -467.870273 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -120.660 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -42.417 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: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1128.967429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.967429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.967429 (E_RNA) where: Base-Base interactions energy: -678.042 where: short stacking energy: -314.061 Base-Backbone interact. energy: 3.388 local terms energy: -454.313214 where: bonds (distance) C4'-P energy: -134.297 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -116.462 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -40.876 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: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2719.552162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.552162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.552162 (E_RNA) where: Base-Base interactions energy: -1906.160 where: short stacking energy: -797.190 Base-Backbone interact. energy: -1.939 local terms energy: -811.452712 where: bonds (distance) C4'-P energy: -140.741 bonds (distance) P-C4' energy: -137.729 flat angles C4'-P-C4' energy: -171.682 flat angles P-C4'-P energy: -124.048 tors. eta vs tors. theta energy: -237.252 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: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2582.905158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.905158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.905158 (E_RNA) where: Base-Base interactions energy: -1811.936 where: short stacking energy: -733.201 Base-Backbone interact. energy: 0.617 local terms energy: -771.586176 where: bonds (distance) C4'-P energy: -143.087 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -170.069 flat angles P-C4'-P energy: -112.329 tors. eta vs tors. theta energy: -209.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2562.761279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.761279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.761279 (E_RNA) where: Base-Base interactions energy: -1823.545 where: short stacking energy: -749.746 Base-Backbone interact. energy: -0.551 local terms energy: -738.664751 where: bonds (distance) C4'-P energy: -128.475 bonds (distance) P-C4' energy: -127.861 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -215.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2371.469388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.469388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.469388 (E_RNA) where: Base-Base interactions energy: -1618.884 where: short stacking energy: -723.498 Base-Backbone interact. energy: 1.344 local terms energy: -753.929768 where: bonds (distance) C4'-P energy: -135.841 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -105.401 tors. eta vs tors. theta energy: -214.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2170.716290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.716290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.716290 (E_RNA) where: Base-Base interactions energy: -1474.989 where: short stacking energy: -679.816 Base-Backbone interact. energy: -1.959 local terms energy: -693.768701 where: bonds (distance) C4'-P energy: -107.646 bonds (distance) P-C4' energy: -120.718 flat angles C4'-P-C4' energy: -160.163 flat angles P-C4'-P energy: -110.701 tors. eta vs tors. theta energy: -194.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1977.708229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.708229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.708229 (E_RNA) where: Base-Base interactions energy: -1320.029 where: short stacking energy: -592.931 Base-Backbone interact. energy: -2.320 local terms energy: -655.359827 where: bonds (distance) C4'-P energy: -136.332 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -147.257 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -164.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1775.341785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.341785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.341785 (E_RNA) where: Base-Base interactions energy: -1202.506 where: short stacking energy: -534.610 Base-Backbone interact. energy: 5.756 local terms energy: -578.592503 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -118.972 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: -135.839 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1499.594109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.594109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.594109 (E_RNA) where: Base-Base interactions energy: -962.434 where: short stacking energy: -421.551 Base-Backbone interact. energy: -2.622 local terms energy: -534.537284 where: bonds (distance) C4'-P energy: -123.828 bonds (distance) P-C4' energy: -128.378 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -81.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1163.133357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.133357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.133357 (E_RNA) where: Base-Base interactions energy: -700.492 where: short stacking energy: -328.362 Base-Backbone interact. energy: -2.758 local terms energy: -459.883003 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -130.080 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -47.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1102.640221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.640221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.640221 (E_RNA) where: Base-Base interactions energy: -639.474 where: short stacking energy: -298.056 Base-Backbone interact. energy: -0.226 local terms energy: -462.940124 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -122.833 flat angles C4'-P-C4' energy: -111.552 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -44.873 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: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2740.160590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.160590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.160590 (E_RNA) where: Base-Base interactions energy: -1906.671 where: short stacking energy: -809.862 Base-Backbone interact. energy: -1.976 local terms energy: -831.513507 where: bonds (distance) C4'-P energy: -142.295 bonds (distance) P-C4' energy: -157.000 flat angles C4'-P-C4' energy: -167.568 flat angles P-C4'-P energy: -124.035 tors. eta vs tors. theta energy: -240.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2618.491197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.491197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.491197 (E_RNA) where: Base-Base interactions energy: -1837.876 where: short stacking energy: -752.540 Base-Backbone interact. energy: -4.283 local terms energy: -776.332380 where: bonds (distance) C4'-P energy: -133.123 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -169.285 flat angles P-C4'-P energy: -112.662 tors. eta vs tors. theta energy: -221.707 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: 347 Temperature: 1.000000 Total energy: -2547.362022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.362022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.362022 (E_RNA) where: Base-Base interactions energy: -1792.484 where: short stacking energy: -723.660 Base-Backbone interact. energy: -1.113 local terms energy: -753.765420 where: bonds (distance) C4'-P energy: -134.967 bonds (distance) P-C4' energy: -147.365 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -95.501 tors. eta vs tors. theta energy: -212.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2327.652899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.652899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.652899 (E_RNA) where: Base-Base interactions energy: -1591.163 where: short stacking energy: -668.766 Base-Backbone interact. energy: -1.129 local terms energy: -735.360986 where: bonds (distance) C4'-P energy: -146.566 bonds (distance) P-C4' energy: -135.861 flat angles C4'-P-C4' energy: -161.928 flat angles P-C4'-P energy: -101.913 tors. eta vs tors. theta energy: -189.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2146.202160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.202160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.202160 (E_RNA) where: Base-Base interactions energy: -1450.081 where: short stacking energy: -643.623 Base-Backbone interact. energy: -4.038 local terms energy: -692.083327 where: bonds (distance) C4'-P energy: -114.396 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -164.770 flat angles P-C4'-P energy: -106.969 tors. eta vs tors. theta energy: -181.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1978.863329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.863329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.863329 (E_RNA) where: Base-Base interactions energy: -1336.196 where: short stacking energy: -574.465 Base-Backbone interact. energy: -1.090 local terms energy: -641.578093 where: bonds (distance) C4'-P energy: -125.518 bonds (distance) P-C4' energy: -134.211 flat angles C4'-P-C4' energy: -137.521 flat angles P-C4'-P energy: -83.872 tors. eta vs tors. theta energy: -160.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1761.194111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.194111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.194111 (E_RNA) where: Base-Base interactions energy: -1193.524 where: short stacking energy: -490.347 Base-Backbone interact. energy: 0.806 local terms energy: -568.476197 where: bonds (distance) C4'-P energy: -101.319 bonds (distance) P-C4' energy: -120.646 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -76.303 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: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1553.859286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.859286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.859286 (E_RNA) where: Base-Base interactions energy: -1029.474 where: short stacking energy: -445.704 Base-Backbone interact. energy: 0.863 local terms energy: -525.248016 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -113.074 flat angles P-C4'-P energy: -72.735 tors. eta vs tors. theta energy: -98.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1282.480418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.480418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.480418 (E_RNA) where: Base-Base interactions energy: -785.192 where: short stacking energy: -351.904 Base-Backbone interact. energy: -3.810 local terms energy: -493.478290 where: bonds (distance) C4'-P energy: -105.382 bonds (distance) P-C4' energy: -127.611 flat angles C4'-P-C4' energy: -129.158 flat angles P-C4'-P energy: -89.304 tors. eta vs tors. theta energy: -42.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1151.535968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.535968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.535968 (E_RNA) where: Base-Base interactions energy: -699.977 where: short stacking energy: -327.525 Base-Backbone interact. energy: -2.457 local terms energy: -449.102574 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -121.955 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -42.437 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: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2761.515324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.515324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.515324 (E_RNA) where: Base-Base interactions energy: -1949.646 where: short stacking energy: -815.490 Base-Backbone interact. energy: -1.687 local terms energy: -810.181844 where: bonds (distance) C4'-P energy: -145.360 bonds (distance) P-C4' energy: -145.712 flat angles C4'-P-C4' energy: -167.894 flat angles P-C4'-P energy: -115.356 tors. eta vs tors. theta energy: -235.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2610.222796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.222796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.222796 (E_RNA) where: Base-Base interactions energy: -1824.676 where: short stacking energy: -748.165 Base-Backbone interact. energy: -0.894 local terms energy: -784.651921 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -152.614 flat angles C4'-P-C4' energy: -173.783 flat angles P-C4'-P energy: -108.512 tors. eta vs tors. theta energy: -224.624 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: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2554.902595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.902595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.902595 (E_RNA) where: Base-Base interactions energy: -1820.868 where: short stacking energy: -729.782 Base-Backbone interact. energy: 2.593 local terms energy: -736.628165 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -127.784 flat angles C4'-P-C4' energy: -158.826 flat angles P-C4'-P energy: -111.159 tors. eta vs tors. theta energy: -211.645 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: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2362.632424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.632424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.632424 (E_RNA) where: Base-Base interactions energy: -1616.860 where: short stacking energy: -692.609 Base-Backbone interact. energy: 2.870 local terms energy: -748.642360 where: bonds (distance) C4'-P energy: -132.606 bonds (distance) P-C4' energy: -148.316 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -98.776 tors. eta vs tors. theta energy: -200.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2151.065702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.065702 (E_RNA) where: Base-Base interactions energy: -1459.528 where: short stacking energy: -660.274 Base-Backbone interact. energy: -3.321 local terms energy: -688.217085 where: bonds (distance) C4'-P energy: -108.692 bonds (distance) P-C4' energy: -145.646 flat angles C4'-P-C4' energy: -154.937 flat angles P-C4'-P energy: -92.395 tors. eta vs tors. theta energy: -186.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1972.663671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.663671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.663671 (E_RNA) where: Base-Base interactions energy: -1326.645 where: short stacking energy: -582.700 Base-Backbone interact. energy: -0.913 local terms energy: -645.105452 where: bonds (distance) C4'-P energy: -121.359 bonds (distance) P-C4' energy: -129.249 flat angles C4'-P-C4' energy: -140.271 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -166.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1883.858293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.858293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.858293 (E_RNA) where: Base-Base interactions energy: -1243.505 where: short stacking energy: -540.275 Base-Backbone interact. energy: -2.736 local terms energy: -637.616921 where: bonds (distance) C4'-P energy: -145.985 bonds (distance) P-C4' energy: -145.453 flat angles C4'-P-C4' energy: -129.100 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -133.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1524.199544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.199544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.199544 (E_RNA) where: Base-Base interactions energy: -1027.645 where: short stacking energy: -448.479 Base-Backbone interact. energy: 1.715 local terms energy: -498.270160 where: bonds (distance) C4'-P energy: -112.325 bonds (distance) P-C4' energy: -112.206 flat angles C4'-P-C4' energy: -108.108 flat angles P-C4'-P energy: -77.918 tors. eta vs tors. theta energy: -87.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1254.572344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.572344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.572344 (E_RNA) where: Base-Base interactions energy: -788.733 where: short stacking energy: -332.280 Base-Backbone interact. energy: 2.042 local terms energy: -467.881484 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -127.996 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -43.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1154.990247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.990247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.990247 (E_RNA) where: Base-Base interactions energy: -701.765 where: short stacking energy: -310.575 Base-Backbone interact. energy: -0.259 local terms energy: -452.966630 where: bonds (distance) C4'-P energy: -114.983 bonds (distance) P-C4' energy: -128.614 flat angles C4'-P-C4' energy: -115.098 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -25.140 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: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2767.802308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.802308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.802308 (E_RNA) where: Base-Base interactions energy: -1925.551 where: short stacking energy: -798.657 Base-Backbone interact. energy: -2.218 local terms energy: -840.033137 where: bonds (distance) C4'-P energy: -149.106 bonds (distance) P-C4' energy: -152.506 flat angles C4'-P-C4' energy: -175.889 flat angles P-C4'-P energy: -122.639 tors. eta vs tors. theta energy: -239.894 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: 349 Temperature: 0.950000 Total energy: -2576.511409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.511409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.511409 (E_RNA) where: Base-Base interactions energy: -1813.988 where: short stacking energy: -735.281 Base-Backbone interact. energy: -0.417 local terms energy: -762.106913 where: bonds (distance) C4'-P energy: -145.225 bonds (distance) P-C4' energy: -150.394 flat angles C4'-P-C4' energy: -155.227 flat angles P-C4'-P energy: -107.319 tors. eta vs tors. theta energy: -203.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2514.135560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.135560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.135560 (E_RNA) where: Base-Base interactions energy: -1747.611 where: short stacking energy: -719.361 Base-Backbone interact. energy: -4.001 local terms energy: -762.523590 where: bonds (distance) C4'-P energy: -131.646 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -163.052 flat angles P-C4'-P energy: -112.339 tors. eta vs tors. theta energy: -213.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2361.694833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.694833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.694833 (E_RNA) where: Base-Base interactions energy: -1621.164 where: short stacking energy: -706.101 Base-Backbone interact. energy: -3.410 local terms energy: -737.121571 where: bonds (distance) C4'-P energy: -125.956 bonds (distance) P-C4' energy: -144.920 flat angles C4'-P-C4' energy: -157.489 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -200.485 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2167.870196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.870196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.870196 (E_RNA) where: Base-Base interactions energy: -1485.126 where: short stacking energy: -642.959 Base-Backbone interact. energy: -3.731 local terms energy: -679.013037 where: bonds (distance) C4'-P energy: -130.852 bonds (distance) P-C4' energy: -122.425 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -104.336 tors. eta vs tors. theta energy: -170.721 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: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1968.934719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.934719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.934719 (E_RNA) where: Base-Base interactions energy: -1319.925 where: short stacking energy: -580.589 Base-Backbone interact. energy: -1.267 local terms energy: -647.742665 where: bonds (distance) C4'-P energy: -102.998 bonds (distance) P-C4' energy: -141.545 flat angles C4'-P-C4' energy: -146.204 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -164.370 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: 349 Temperature: 1.200000 Total energy: -1838.247540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.247540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.247540 (E_RNA) where: Base-Base interactions energy: -1244.802 where: short stacking energy: -527.866 Base-Backbone interact. energy: -2.097 local terms energy: -591.348513 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -123.257 flat angles C4'-P-C4' energy: -133.160 flat angles P-C4'-P energy: -85.880 tors. eta vs tors. theta energy: -148.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1604.841383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.841383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.841383 (E_RNA) where: Base-Base interactions energy: -1056.591 where: short stacking energy: -486.719 Base-Backbone interact. energy: 0.206 local terms energy: -548.456838 where: bonds (distance) C4'-P energy: -117.020 bonds (distance) P-C4' energy: -114.036 flat angles C4'-P-C4' energy: -132.700 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -103.009 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: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1316.117806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.117806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.117806 (E_RNA) where: Base-Base interactions energy: -813.175 where: short stacking energy: -370.295 Base-Backbone interact. energy: -4.315 local terms energy: -498.627585 where: bonds (distance) C4'-P energy: -100.212 bonds (distance) P-C4' energy: -133.882 flat angles C4'-P-C4' energy: -117.613 flat angles P-C4'-P energy: -71.920 tors. eta vs tors. theta energy: -75.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1145.313520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.313520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.313520 (E_RNA) where: Base-Base interactions energy: -677.871 where: short stacking energy: -327.277 Base-Backbone interact. energy: -0.977 local terms energy: -466.465175 where: bonds (distance) C4'-P energy: -131.625 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -115.339 flat angles P-C4'-P energy: -79.641 tors. eta vs tors. theta energy: -35.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2787.687622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.687622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.687622 (E_RNA) where: Base-Base interactions energy: -1976.654 where: short stacking energy: -826.003 Base-Backbone interact. energy: 2.418 local terms energy: -813.451897 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -145.261 flat angles C4'-P-C4' energy: -179.259 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -245.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2582.403203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.403203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.403203 (E_RNA) where: Base-Base interactions energy: -1796.470 where: short stacking energy: -755.600 Base-Backbone interact. energy: -2.907 local terms energy: -783.026187 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -174.107 flat angles P-C4'-P energy: -97.618 tors. eta vs tors. theta energy: -205.756 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: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2572.746958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.746958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.746958 (E_RNA) where: Base-Base interactions energy: -1795.488 where: short stacking energy: -739.158 Base-Backbone interact. energy: -3.358 local terms energy: -773.901031 where: bonds (distance) C4'-P energy: -137.047 bonds (distance) P-C4' energy: -140.083 flat angles C4'-P-C4' energy: -170.062 flat angles P-C4'-P energy: -118.977 tors. eta vs tors. theta energy: -207.732 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: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2363.530480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.530480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.530480 (E_RNA) where: Base-Base interactions energy: -1616.023 where: short stacking energy: -685.845 Base-Backbone interact. energy: -1.402 local terms energy: -746.105504 where: bonds (distance) C4'-P energy: -140.761 bonds (distance) P-C4' energy: -126.864 flat angles C4'-P-C4' energy: -167.287 flat angles P-C4'-P energy: -109.224 tors. eta vs tors. theta energy: -201.970 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: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2142.690422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.690422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.690422 (E_RNA) where: Base-Base interactions energy: -1443.322 where: short stacking energy: -610.548 Base-Backbone interact. energy: 0.849 local terms energy: -700.217792 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -138.767 flat angles C4'-P-C4' energy: -144.015 flat angles P-C4'-P energy: -106.069 tors. eta vs tors. theta energy: -182.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1984.603805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.603805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.603805 (E_RNA) where: Base-Base interactions energy: -1332.484 where: short stacking energy: -602.247 Base-Backbone interact. energy: -1.078 local terms energy: -651.042398 where: bonds (distance) C4'-P energy: -136.012 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -148.797 flat angles P-C4'-P energy: -87.757 tors. eta vs tors. theta energy: -154.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1829.026196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.026196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.026196 (E_RNA) where: Base-Base interactions energy: -1254.904 where: short stacking energy: -518.149 Base-Backbone interact. energy: -0.527 local terms energy: -573.595744 where: bonds (distance) C4'-P energy: -115.250 bonds (distance) P-C4' energy: -130.222 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -78.769 tors. eta vs tors. theta energy: -116.286 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: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1562.841691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.841691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.841691 (E_RNA) where: Base-Base interactions energy: -985.654 where: short stacking energy: -456.703 Base-Backbone interact. energy: -2.483 local terms energy: -574.704163 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -113.132 flat angles C4'-P-C4' energy: -141.600 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -114.197 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1320.088416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.088416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.088416 (E_RNA) where: Base-Base interactions energy: -834.238 where: short stacking energy: -376.107 Base-Backbone interact. energy: -2.632 local terms energy: -483.218493 where: bonds (distance) C4'-P energy: -118.251 bonds (distance) P-C4' energy: -100.422 flat angles C4'-P-C4' energy: -126.157 flat angles P-C4'-P energy: -75.558 tors. eta vs tors. theta energy: -62.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1111.891708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.891708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.891708 (E_RNA) where: Base-Base interactions energy: -659.512 where: short stacking energy: -312.667 Base-Backbone interact. energy: -0.477 local terms energy: -451.902472 where: bonds (distance) C4'-P energy: -117.510 bonds (distance) P-C4' energy: -122.374 flat angles C4'-P-C4' energy: -99.354 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -45.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2795.245560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.245560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.245560 (E_RNA) where: Base-Base interactions energy: -1959.073 where: short stacking energy: -807.520 Base-Backbone interact. energy: -1.058 local terms energy: -835.114170 where: bonds (distance) C4'-P energy: -151.406 bonds (distance) P-C4' energy: -143.401 flat angles C4'-P-C4' energy: -174.865 flat angles P-C4'-P energy: -123.730 tors. eta vs tors. theta energy: -241.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2621.579992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.579992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.579992 (E_RNA) where: Base-Base interactions energy: -1841.804 where: short stacking energy: -793.080 Base-Backbone interact. energy: -2.583 local terms energy: -777.193340 where: bonds (distance) C4'-P energy: -144.373 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -171.064 flat angles P-C4'-P energy: -102.739 tors. eta vs tors. theta energy: -220.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2571.665021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.665021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.665021 (E_RNA) where: Base-Base interactions energy: -1792.385 where: short stacking energy: -736.866 Base-Backbone interact. energy: 3.536 local terms energy: -782.815192 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -144.418 flat angles C4'-P-C4' energy: -182.874 flat angles P-C4'-P energy: -113.864 tors. eta vs tors. theta energy: -199.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2400.533111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.533111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.533111 (E_RNA) where: Base-Base interactions energy: -1671.913 where: short stacking energy: -713.390 Base-Backbone interact. energy: -2.917 local terms energy: -725.703617 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -93.566 tors. eta vs tors. theta energy: -216.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2166.696930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.696930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.696930 (E_RNA) where: Base-Base interactions energy: -1456.561 where: short stacking energy: -669.171 Base-Backbone interact. energy: -1.356 local terms energy: -708.780159 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -131.016 flat angles C4'-P-C4' energy: -157.053 flat angles P-C4'-P energy: -88.566 tors. eta vs tors. theta energy: -192.675 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: 351 Temperature: 1.150000 Total energy: -1948.932893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.932893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.932893 (E_RNA) where: Base-Base interactions energy: -1308.941 where: short stacking energy: -569.384 Base-Backbone interact. energy: -1.028 local terms energy: -638.964075 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -139.789 flat angles C4'-P-C4' energy: -148.865 flat angles P-C4'-P energy: -89.445 tors. eta vs tors. theta energy: -142.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1936.254033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.254033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.254033 (E_RNA) where: Base-Base interactions energy: -1320.225 where: short stacking energy: -578.705 Base-Backbone interact. energy: 1.623 local terms energy: -617.651507 where: bonds (distance) C4'-P energy: -111.883 bonds (distance) P-C4' energy: -122.720 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -95.891 tors. eta vs tors. theta energy: -148.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1553.363043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.363043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.363043 (E_RNA) where: Base-Base interactions energy: -1020.456 where: short stacking energy: -449.455 Base-Backbone interact. energy: 4.730 local terms energy: -537.636760 where: bonds (distance) C4'-P energy: -105.623 bonds (distance) P-C4' energy: -121.625 flat angles C4'-P-C4' energy: -131.586 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -88.980 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: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1269.524865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.524865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.524865 (E_RNA) where: Base-Base interactions energy: -780.494 where: short stacking energy: -371.163 Base-Backbone interact. energy: 0.242 local terms energy: -489.273530 where: bonds (distance) C4'-P energy: -113.489 bonds (distance) P-C4' energy: -118.230 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -69.142 tors. eta vs tors. theta energy: -61.960 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: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1094.563103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.563103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.563103 (E_RNA) where: Base-Base interactions energy: -640.361 where: short stacking energy: -328.259 Base-Backbone interact. energy: -1.953 local terms energy: -452.249663 where: bonds (distance) C4'-P energy: -108.245 bonds (distance) P-C4' energy: -119.431 flat angles C4'-P-C4' energy: -112.167 flat angles P-C4'-P energy: -72.327 tors. eta vs tors. theta energy: -40.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2794.194910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.194910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.194910 (E_RNA) where: Base-Base interactions energy: -1965.949 where: short stacking energy: -812.635 Base-Backbone interact. energy: -0.786 local terms energy: -827.459777 where: bonds (distance) C4'-P energy: -148.540 bonds (distance) P-C4' energy: -146.871 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -111.223 tors. eta vs tors. theta energy: -247.619 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: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2622.400979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.400979 (E_RNA) where: Base-Base interactions energy: -1852.698 where: short stacking energy: -768.402 Base-Backbone interact. energy: -2.955 local terms energy: -766.748110 where: bonds (distance) C4'-P energy: -134.986 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -162.036 flat angles P-C4'-P energy: -120.689 tors. eta vs tors. theta energy: -204.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2528.999247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.999247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.999247 (E_RNA) where: Base-Base interactions energy: -1770.039 where: short stacking energy: -717.722 Base-Backbone interact. energy: -3.690 local terms energy: -755.270367 where: bonds (distance) C4'-P energy: -143.591 bonds (distance) P-C4' energy: -129.848 flat angles C4'-P-C4' energy: -163.240 flat angles P-C4'-P energy: -110.365 tors. eta vs tors. theta energy: -208.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2383.619080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.619080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.619080 (E_RNA) where: Base-Base interactions energy: -1674.285 where: short stacking energy: -694.371 Base-Backbone interact. energy: 4.118 local terms energy: -713.452343 where: bonds (distance) C4'-P energy: -131.114 bonds (distance) P-C4' energy: -137.378 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -100.325 tors. eta vs tors. theta energy: -198.833 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: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2121.193734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.193734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.193734 (E_RNA) where: Base-Base interactions energy: -1426.219 where: short stacking energy: -633.492 Base-Backbone interact. energy: -4.122 local terms energy: -690.852916 where: bonds (distance) C4'-P energy: -139.632 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -89.992 tors. eta vs tors. theta energy: -178.995 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: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1981.803578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.803578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.803578 (E_RNA) where: Base-Base interactions energy: -1363.779 where: short stacking energy: -594.067 Base-Backbone interact. energy: -1.406 local terms energy: -616.617901 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -123.183 flat angles C4'-P-C4' energy: -133.402 flat angles P-C4'-P energy: -103.562 tors. eta vs tors. theta energy: -135.784 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1915.563900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.563900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.563900 (E_RNA) where: Base-Base interactions energy: -1343.488 where: short stacking energy: -583.573 Base-Backbone interact. energy: 5.022 local terms energy: -577.097783 where: bonds (distance) C4'-P energy: -120.053 bonds (distance) P-C4' energy: -127.470 flat angles C4'-P-C4' energy: -125.040 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -154.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1515.588205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.588205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.588205 (E_RNA) where: Base-Base interactions energy: -1004.102 where: short stacking energy: -448.823 Base-Backbone interact. energy: -1.860 local terms energy: -509.625810 where: bonds (distance) C4'-P energy: -113.662 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -122.301 flat angles P-C4'-P energy: -65.651 tors. eta vs tors. theta energy: -84.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1237.190936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.190936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.190936 (E_RNA) where: Base-Base interactions energy: -772.877 where: short stacking energy: -356.470 Base-Backbone interact. energy: 4.961 local terms energy: -469.275190 where: bonds (distance) C4'-P energy: -102.678 bonds (distance) P-C4' energy: -112.607 flat angles C4'-P-C4' energy: -116.877 flat angles P-C4'-P energy: -72.628 tors. eta vs tors. theta energy: -64.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1105.948265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.948265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.948265 (E_RNA) where: Base-Base interactions energy: -674.220 where: short stacking energy: -300.869 Base-Backbone interact. energy: 2.485 local terms energy: -434.212723 where: bonds (distance) C4'-P energy: -131.982 bonds (distance) P-C4' energy: -116.467 flat angles C4'-P-C4' energy: -106.002 flat angles P-C4'-P energy: -58.480 tors. eta vs tors. theta energy: -21.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2770.097219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.097219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.097219 (E_RNA) where: Base-Base interactions energy: -1908.240 where: short stacking energy: -804.132 Base-Backbone interact. energy: -2.211 local terms energy: -859.645631 where: bonds (distance) C4'-P energy: -156.321 bonds (distance) P-C4' energy: -142.004 flat angles C4'-P-C4' energy: -180.388 flat angles P-C4'-P energy: -131.053 tors. eta vs tors. theta energy: -249.880 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: 353 Temperature: 0.950000 Total energy: -2664.489783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.489783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.489783 (E_RNA) where: Base-Base interactions energy: -1883.539 where: short stacking energy: -776.458 Base-Backbone interact. energy: 1.107 local terms energy: -782.057823 where: bonds (distance) C4'-P energy: -145.059 bonds (distance) P-C4' energy: -148.540 flat angles C4'-P-C4' energy: -168.785 flat angles P-C4'-P energy: -101.147 tors. eta vs tors. theta energy: -218.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2523.465842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.465842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.465842 (E_RNA) where: Base-Base interactions energy: -1778.477 where: short stacking energy: -734.015 Base-Backbone interact. energy: -0.058 local terms energy: -744.931002 where: bonds (distance) C4'-P energy: -118.214 bonds (distance) P-C4' energy: -141.295 flat angles C4'-P-C4' energy: -156.547 flat angles P-C4'-P energy: -113.665 tors. eta vs tors. theta energy: -215.210 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: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2388.151552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.151552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.151552 (E_RNA) where: Base-Base interactions energy: -1670.145 where: short stacking energy: -708.405 Base-Backbone interact. energy: -0.591 local terms energy: -717.414975 where: bonds (distance) C4'-P energy: -146.982 bonds (distance) P-C4' energy: -107.693 flat angles C4'-P-C4' energy: -156.441 flat angles P-C4'-P energy: -103.115 tors. eta vs tors. theta energy: -203.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2124.328109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.328109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.328109 (E_RNA) where: Base-Base interactions energy: -1417.103 where: short stacking energy: -631.058 Base-Backbone interact. energy: -4.630 local terms energy: -702.595072 where: bonds (distance) C4'-P energy: -137.601 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -137.912 flat angles P-C4'-P energy: -100.720 tors. eta vs tors. theta energy: -183.395 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: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2033.722839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.722839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.722839 (E_RNA) where: Base-Base interactions energy: -1370.272 where: short stacking energy: -583.985 Base-Backbone interact. energy: 4.934 local terms energy: -668.385212 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -131.191 flat angles C4'-P-C4' energy: -148.394 flat angles P-C4'-P energy: -105.456 tors. eta vs tors. theta energy: -163.570 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: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1828.008875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.008875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.008875 (E_RNA) where: Base-Base interactions energy: -1230.114 where: short stacking energy: -540.901 Base-Backbone interact. energy: -0.785 local terms energy: -597.109402 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -122.819 flat angles C4'-P-C4' energy: -130.363 flat angles P-C4'-P energy: -80.500 tors. eta vs tors. theta energy: -129.301 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1502.392177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.392177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.392177 (E_RNA) where: Base-Base interactions energy: -1005.589 where: short stacking energy: -454.592 Base-Backbone interact. energy: 3.622 local terms energy: -500.424991 where: bonds (distance) C4'-P energy: -89.117 bonds (distance) P-C4' energy: -138.846 flat angles C4'-P-C4' energy: -106.900 flat angles P-C4'-P energy: -73.917 tors. eta vs tors. theta energy: -91.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1189.738900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.738900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.738900 (E_RNA) where: Base-Base interactions energy: -732.649 where: short stacking energy: -316.582 Base-Backbone interact. energy: -1.501 local terms energy: -455.589275 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -142.749 flat angles C4'-P-C4' energy: -103.319 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -27.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1120.781874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.781874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.781874 (E_RNA) where: Base-Base interactions energy: -689.605 where: short stacking energy: -309.325 Base-Backbone interact. energy: 5.802 local terms energy: -436.978852 where: bonds (distance) C4'-P energy: -101.087 bonds (distance) P-C4' energy: -119.112 flat angles C4'-P-C4' energy: -122.548 flat angles P-C4'-P energy: -76.103 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: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2774.494290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.494290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.494290 (E_RNA) where: Base-Base interactions energy: -1923.939 where: short stacking energy: -803.382 Base-Backbone interact. energy: -1.720 local terms energy: -848.835287 where: bonds (distance) C4'-P energy: -139.850 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -183.766 flat angles P-C4'-P energy: -124.386 tors. eta vs tors. theta energy: -248.022 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: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2630.017422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.017422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.017422 (E_RNA) where: Base-Base interactions energy: -1849.918 where: short stacking energy: -758.886 Base-Backbone interact. energy: -4.379 local terms energy: -775.720966 where: bonds (distance) C4'-P energy: -132.777 bonds (distance) P-C4' energy: -154.490 flat angles C4'-P-C4' energy: -164.979 flat angles P-C4'-P energy: -112.696 tors. eta vs tors. theta energy: -210.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2553.466346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.466346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.466346 (E_RNA) where: Base-Base interactions energy: -1769.424 where: short stacking energy: -722.384 Base-Backbone interact. energy: -3.646 local terms energy: -780.396263 where: bonds (distance) C4'-P energy: -150.071 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -152.586 flat angles P-C4'-P energy: -117.416 tors. eta vs tors. theta energy: -226.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2378.625919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.625919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.625919 (E_RNA) where: Base-Base interactions energy: -1596.465 where: short stacking energy: -703.509 Base-Backbone interact. energy: -3.378 local terms energy: -778.782830 where: bonds (distance) C4'-P energy: -139.491 bonds (distance) P-C4' energy: -144.263 flat angles C4'-P-C4' energy: -167.338 flat angles P-C4'-P energy: -119.751 tors. eta vs tors. theta energy: -207.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2138.353494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.353494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.353494 (E_RNA) where: Base-Base interactions energy: -1465.301 where: short stacking energy: -636.960 Base-Backbone interact. energy: 1.368 local terms energy: -674.420396 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -119.997 flat angles C4'-P-C4' energy: -152.346 flat angles P-C4'-P energy: -100.531 tors. eta vs tors. theta energy: -171.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1984.388361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.388361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.388361 (E_RNA) where: Base-Base interactions energy: -1322.102 where: short stacking energy: -578.252 Base-Backbone interact. energy: 1.787 local terms energy: -664.072870 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -148.292 flat angles P-C4'-P energy: -85.103 tors. eta vs tors. theta energy: -160.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1869.430521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.430521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.430521 (E_RNA) where: Base-Base interactions energy: -1279.855 where: short stacking energy: -539.364 Base-Backbone interact. energy: -2.612 local terms energy: -586.964060 where: bonds (distance) C4'-P energy: -114.755 bonds (distance) P-C4' energy: -122.510 flat angles C4'-P-C4' energy: -133.786 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -137.000 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: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1688.377546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.377546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.377546 (E_RNA) where: Base-Base interactions energy: -1117.140 where: short stacking energy: -483.648 Base-Backbone interact. energy: -4.272 local terms energy: -566.965639 where: bonds (distance) C4'-P energy: -119.626 bonds (distance) P-C4' energy: -119.211 flat angles C4'-P-C4' energy: -124.827 flat angles P-C4'-P energy: -81.183 tors. eta vs tors. theta energy: -122.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1314.816896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.816896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.816896 (E_RNA) where: Base-Base interactions energy: -813.095 where: short stacking energy: -362.975 Base-Backbone interact. energy: 0.201 local terms energy: -501.922581 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -119.669 flat angles C4'-P-C4' energy: -118.348 flat angles P-C4'-P energy: -77.844 tors. eta vs tors. theta energy: -77.424 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: 354 Temperature: 1.350000 Total energy: -1162.721153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.721153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.721153 (E_RNA) where: Base-Base interactions energy: -709.860 where: short stacking energy: -341.442 Base-Backbone interact. energy: -1.119 local terms energy: -451.742906 where: bonds (distance) C4'-P energy: -116.665 bonds (distance) P-C4' energy: -105.775 flat angles C4'-P-C4' energy: -128.171 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -46.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2789.708083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.708083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.708083 (E_RNA) where: Base-Base interactions energy: -1963.722 where: short stacking energy: -837.055 Base-Backbone interact. energy: -0.661 local terms energy: -825.325690 where: bonds (distance) C4'-P energy: -138.931 bonds (distance) P-C4' energy: -153.763 flat angles C4'-P-C4' energy: -177.799 flat angles P-C4'-P energy: -107.763 tors. eta vs tors. theta energy: -247.069 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: 355 Temperature: 0.950000 Total energy: -2610.702356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.702356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.702356 (E_RNA) where: Base-Base interactions energy: -1837.753 where: short stacking energy: -767.921 Base-Backbone interact. energy: -2.390 local terms energy: -770.559960 where: bonds (distance) C4'-P energy: -132.388 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -159.050 flat angles P-C4'-P energy: -112.426 tors. eta vs tors. theta energy: -222.560 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: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2514.525820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.525820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.525820 (E_RNA) where: Base-Base interactions energy: -1767.972 where: short stacking energy: -725.863 Base-Backbone interact. energy: 2.947 local terms energy: -749.500886 where: bonds (distance) C4'-P energy: -135.752 bonds (distance) P-C4' energy: -148.769 flat angles C4'-P-C4' energy: -153.219 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -220.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2300.132026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.132026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.132026 (E_RNA) where: Base-Base interactions energy: -1557.835 where: short stacking energy: -662.151 Base-Backbone interact. energy: -1.552 local terms energy: -740.744843 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -142.058 flat angles C4'-P-C4' energy: -161.547 flat angles P-C4'-P energy: -114.141 tors. eta vs tors. theta energy: -186.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2129.255059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.255059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.255059 (E_RNA) where: Base-Base interactions energy: -1438.364 where: short stacking energy: -646.254 Base-Backbone interact. energy: -4.478 local terms energy: -686.413043 where: bonds (distance) C4'-P energy: -117.595 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -160.706 flat angles P-C4'-P energy: -90.558 tors. eta vs tors. theta energy: -189.262 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: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2021.546970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.546970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.546970 (E_RNA) where: Base-Base interactions energy: -1361.538 where: short stacking energy: -620.451 Base-Backbone interact. energy: 0.261 local terms energy: -660.269383 where: bonds (distance) C4'-P energy: -129.553 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -149.342 flat angles P-C4'-P energy: -97.551 tors. eta vs tors. theta energy: -169.454 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: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1885.499151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.499151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.499151 (E_RNA) where: Base-Base interactions energy: -1274.464 where: short stacking energy: -544.363 Base-Backbone interact. energy: -1.483 local terms energy: -609.552140 where: bonds (distance) C4'-P energy: -147.396 bonds (distance) P-C4' energy: -129.518 flat angles C4'-P-C4' energy: -141.996 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -124.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1663.998751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.998751 (E_RNA) where: Base-Base interactions energy: -1095.756 where: short stacking energy: -485.811 Base-Backbone interact. energy: 0.464 local terms energy: -568.707544 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -128.985 flat angles C4'-P-C4' energy: -129.664 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -112.351 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: 355 Temperature: 1.300000 Total energy: -1270.352165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.352165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.352165 (E_RNA) where: Base-Base interactions energy: -798.219 where: short stacking energy: -363.587 Base-Backbone interact. energy: 0.762 local terms energy: -472.895493 where: bonds (distance) C4'-P energy: -103.069 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -111.724 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -49.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1199.726390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.726390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.726390 (E_RNA) where: Base-Base interactions energy: -751.264 where: short stacking energy: -368.710 Base-Backbone interact. energy: -0.355 local terms energy: -448.107874 where: bonds (distance) C4'-P energy: -89.825 bonds (distance) P-C4' energy: -123.210 flat angles C4'-P-C4' energy: -123.968 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -44.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2794.959999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.959999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.959999 (E_RNA) where: Base-Base interactions energy: -1947.558 where: short stacking energy: -828.072 Base-Backbone interact. energy: -1.232 local terms energy: -846.169879 where: bonds (distance) C4'-P energy: -143.354 bonds (distance) P-C4' energy: -152.498 flat angles C4'-P-C4' energy: -175.793 flat angles P-C4'-P energy: -124.577 tors. eta vs tors. theta energy: -249.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2641.528477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.528477 (E_RNA) where: Base-Base interactions energy: -1843.382 where: short stacking energy: -768.954 Base-Backbone interact. energy: 0.867 local terms energy: -799.013236 where: bonds (distance) C4'-P energy: -144.819 bonds (distance) P-C4' energy: -157.852 flat angles C4'-P-C4' energy: -172.144 flat angles P-C4'-P energy: -110.784 tors. eta vs tors. theta energy: -213.414 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: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2520.926692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.926692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.926692 (E_RNA) where: Base-Base interactions energy: -1759.281 where: short stacking energy: -708.509 Base-Backbone interact. energy: -1.940 local terms energy: -759.705128 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -142.928 flat angles C4'-P-C4' energy: -162.613 flat angles P-C4'-P energy: -113.554 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: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2306.121278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.121278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.121278 (E_RNA) where: Base-Base interactions energy: -1557.714 where: short stacking energy: -666.436 Base-Backbone interact. energy: -2.601 local terms energy: -745.806233 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -140.127 flat angles C4'-P-C4' energy: -161.804 flat angles P-C4'-P energy: -115.528 tors. eta vs tors. theta energy: -191.913 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: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2078.238282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.238282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.238282 (E_RNA) where: Base-Base interactions energy: -1403.744 where: short stacking energy: -618.005 Base-Backbone interact. energy: -3.122 local terms energy: -671.371760 where: bonds (distance) C4'-P energy: -117.572 bonds (distance) P-C4' energy: -137.629 flat angles C4'-P-C4' energy: -139.358 flat angles P-C4'-P energy: -99.499 tors. eta vs tors. theta energy: -177.314 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: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2012.396375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.396375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.396375 (E_RNA) where: Base-Base interactions energy: -1364.415 where: short stacking energy: -572.244 Base-Backbone interact. energy: 2.885 local terms energy: -650.866035 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -138.394 flat angles C4'-P-C4' energy: -154.136 flat angles P-C4'-P energy: -77.029 tors. eta vs tors. theta energy: -156.673 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: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1832.601447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.601447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.601447 (E_RNA) where: Base-Base interactions energy: -1256.583 where: short stacking energy: -531.217 Base-Backbone interact. energy: -1.022 local terms energy: -574.995978 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -126.056 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -84.507 tors. eta vs tors. theta energy: -119.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1594.835837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.835837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.835837 (E_RNA) where: Base-Base interactions energy: -1051.610 where: short stacking energy: -459.466 Base-Backbone interact. energy: -1.845 local terms energy: -541.380698 where: bonds (distance) C4'-P energy: -114.577 bonds (distance) P-C4' energy: -118.917 flat angles C4'-P-C4' energy: -127.054 flat angles P-C4'-P energy: -87.869 tors. eta vs tors. theta energy: -92.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1276.027054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.027054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.027054 (E_RNA) where: Base-Base interactions energy: -784.305 where: short stacking energy: -327.340 Base-Backbone interact. energy: -1.525 local terms energy: -490.197215 where: bonds (distance) C4'-P energy: -110.475 bonds (distance) P-C4' energy: -137.974 flat angles C4'-P-C4' energy: -133.577 flat angles P-C4'-P energy: -55.805 tors. eta vs tors. theta energy: -52.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1086.976536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.976536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.976536 (E_RNA) where: Base-Base interactions energy: -624.944 where: short stacking energy: -278.844 Base-Backbone interact. energy: -1.547 local terms energy: -460.486126 where: bonds (distance) C4'-P energy: -121.416 bonds (distance) P-C4' energy: -118.088 flat angles C4'-P-C4' energy: -112.975 flat angles P-C4'-P energy: -77.324 tors. eta vs tors. theta energy: -30.683 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: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2765.571142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.571142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.571142 (E_RNA) where: Base-Base interactions energy: -1939.228 where: short stacking energy: -812.416 Base-Backbone interact. energy: 0.139 local terms energy: -826.482061 where: bonds (distance) C4'-P energy: -159.894 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -172.110 flat angles P-C4'-P energy: -107.073 tors. eta vs tors. theta energy: -237.823 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: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2652.810830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.810830 (E_RNA) where: Base-Base interactions energy: -1856.800 where: short stacking energy: -756.968 Base-Backbone interact. energy: -2.071 local terms energy: -793.939899 where: bonds (distance) C4'-P energy: -146.548 bonds (distance) P-C4' energy: -155.311 flat angles C4'-P-C4' energy: -158.667 flat angles P-C4'-P energy: -114.230 tors. eta vs tors. theta energy: -219.184 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: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2578.339346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.339346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.339346 (E_RNA) where: Base-Base interactions energy: -1817.022 where: short stacking energy: -755.796 Base-Backbone interact. energy: -1.579 local terms energy: -759.739211 where: bonds (distance) C4'-P energy: -134.333 bonds (distance) P-C4' energy: -144.704 flat angles C4'-P-C4' energy: -162.538 flat angles P-C4'-P energy: -103.550 tors. eta vs tors. theta energy: -214.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2265.953262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.953262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.953262 (E_RNA) where: Base-Base interactions energy: -1546.538 where: short stacking energy: -660.009 Base-Backbone interact. energy: -3.103 local terms energy: -716.312059 where: bonds (distance) C4'-P energy: -134.136 bonds (distance) P-C4' energy: -132.944 flat angles C4'-P-C4' energy: -150.902 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -188.360 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: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2165.729636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.729636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.729636 (E_RNA) where: Base-Base interactions energy: -1444.204 where: short stacking energy: -625.720 Base-Backbone interact. energy: -1.132 local terms energy: -720.393681 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -139.164 flat angles C4'-P-C4' energy: -156.738 flat angles P-C4'-P energy: -94.519 tors. eta vs tors. theta energy: -191.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2031.676403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.676403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.676403 (E_RNA) where: Base-Base interactions energy: -1385.371 where: short stacking energy: -628.420 Base-Backbone interact. energy: -1.686 local terms energy: -644.619482 where: bonds (distance) C4'-P energy: -130.719 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -141.203 flat angles P-C4'-P energy: -71.054 tors. eta vs tors. theta energy: -166.785 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: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1895.433338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.433338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.433338 (E_RNA) where: Base-Base interactions energy: -1296.616 where: short stacking energy: -547.884 Base-Backbone interact. energy: -1.033 local terms energy: -597.784344 where: bonds (distance) C4'-P energy: -114.516 bonds (distance) P-C4' energy: -134.795 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -77.742 tors. eta vs tors. theta energy: -122.799 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: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1575.632978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.632978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.632978 (E_RNA) where: Base-Base interactions energy: -1033.205 where: short stacking energy: -445.590 Base-Backbone interact. energy: -2.541 local terms energy: -539.886532 where: bonds (distance) C4'-P energy: -115.499 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -137.424 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -87.787 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: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1362.693867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.693867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.693867 (E_RNA) where: Base-Base interactions energy: -836.009 where: short stacking energy: -361.361 Base-Backbone interact. energy: -1.636 local terms energy: -525.049034 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -128.750 flat angles C4'-P-C4' energy: -112.750 flat angles P-C4'-P energy: -92.307 tors. eta vs tors. theta energy: -77.463 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: 357 Temperature: 1.350000 Total energy: -1118.863583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.863583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.863583 (E_RNA) where: Base-Base interactions energy: -690.967 where: short stacking energy: -325.797 Base-Backbone interact. energy: -1.389 local terms energy: -426.508218 where: bonds (distance) C4'-P energy: -120.712 bonds (distance) P-C4' energy: -111.646 flat angles C4'-P-C4' energy: -110.736 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -28.912 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: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2731.400457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.400457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.400457 (E_RNA) where: Base-Base interactions energy: -1927.441 where: short stacking energy: -806.079 Base-Backbone interact. energy: -1.267 local terms energy: -802.692398 where: bonds (distance) C4'-P energy: -149.016 bonds (distance) P-C4' energy: -127.032 flat angles C4'-P-C4' energy: -165.685 flat angles P-C4'-P energy: -111.483 tors. eta vs tors. theta energy: -249.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2630.481684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.481684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.481684 (E_RNA) where: Base-Base interactions energy: -1831.384 where: short stacking energy: -756.963 Base-Backbone interact. energy: -2.175 local terms energy: -796.922881 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -153.468 flat angles C4'-P-C4' energy: -167.863 flat angles P-C4'-P energy: -112.503 tors. eta vs tors. theta energy: -217.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2580.272100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.272100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.272100 (E_RNA) where: Base-Base interactions energy: -1825.122 where: short stacking energy: -748.887 Base-Backbone interact. energy: -0.323 local terms energy: -754.827265 where: bonds (distance) C4'-P energy: -141.907 bonds (distance) P-C4' energy: -139.661 flat angles C4'-P-C4' energy: -166.955 flat angles P-C4'-P energy: -101.835 tors. eta vs tors. theta energy: -204.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2308.542237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.542237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.542237 (E_RNA) where: Base-Base interactions energy: -1596.158 where: short stacking energy: -681.156 Base-Backbone interact. energy: -1.470 local terms energy: -710.915083 where: bonds (distance) C4'-P energy: -127.990 bonds (distance) P-C4' energy: -121.468 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -103.196 tors. eta vs tors. theta energy: -197.422 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: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2167.461691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.461691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.461691 (E_RNA) where: Base-Base interactions energy: -1458.343 where: short stacking energy: -618.564 Base-Backbone interact. energy: -3.226 local terms energy: -705.892611 where: bonds (distance) C4'-P energy: -140.279 bonds (distance) P-C4' energy: -136.150 flat angles C4'-P-C4' energy: -147.220 flat angles P-C4'-P energy: -93.806 tors. eta vs tors. theta energy: -188.437 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: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2017.895240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.895240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.895240 (E_RNA) where: Base-Base interactions energy: -1388.539 where: short stacking energy: -633.355 Base-Backbone interact. energy: 2.239 local terms energy: -631.594661 where: bonds (distance) C4'-P energy: -108.644 bonds (distance) P-C4' energy: -105.420 flat angles C4'-P-C4' energy: -148.284 flat angles P-C4'-P energy: -91.476 tors. eta vs tors. theta energy: -177.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1907.349985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.349985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.349985 (E_RNA) where: Base-Base interactions energy: -1289.510 where: short stacking energy: -554.953 Base-Backbone interact. energy: -0.254 local terms energy: -617.586563 where: bonds (distance) C4'-P energy: -127.160 bonds (distance) P-C4' energy: -128.528 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -87.935 tors. eta vs tors. theta energy: -139.367 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: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1599.458016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.458016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.458016 (E_RNA) where: Base-Base interactions energy: -1019.628 where: short stacking energy: -454.625 Base-Backbone interact. energy: -0.628 local terms energy: -579.202247 where: bonds (distance) C4'-P energy: -124.830 bonds (distance) P-C4' energy: -128.657 flat angles C4'-P-C4' energy: -135.070 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -103.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1332.606950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.606950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.606950 (E_RNA) where: Base-Base interactions energy: -841.838 where: short stacking energy: -403.078 Base-Backbone interact. energy: 3.445 local terms energy: -494.214163 where: bonds (distance) C4'-P energy: -123.586 bonds (distance) P-C4' energy: -124.083 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -55.927 tors. eta vs tors. theta energy: -78.759 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: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1136.141911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.141911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.141911 (E_RNA) where: Base-Base interactions energy: -686.115 where: short stacking energy: -320.082 Base-Backbone interact. energy: -2.948 local terms energy: -447.078999 where: bonds (distance) C4'-P energy: -120.893 bonds (distance) P-C4' energy: -122.387 flat angles C4'-P-C4' energy: -114.584 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -28.713 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: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2743.941428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.941428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.941428 (E_RNA) where: Base-Base interactions energy: -1913.188 where: short stacking energy: -803.818 Base-Backbone interact. energy: -2.718 local terms energy: -828.035572 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -147.477 flat angles C4'-P-C4' energy: -184.366 flat angles P-C4'-P energy: -114.721 tors. eta vs tors. theta energy: -235.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2651.455909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.455909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.455909 (E_RNA) where: Base-Base interactions energy: -1884.798 where: short stacking energy: -768.926 Base-Backbone interact. energy: -4.028 local terms energy: -762.629977 where: bonds (distance) C4'-P energy: -139.954 bonds (distance) P-C4' energy: -130.885 flat angles C4'-P-C4' energy: -167.384 flat angles P-C4'-P energy: -113.774 tors. eta vs tors. theta energy: -210.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2620.430376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.430376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.430376 (E_RNA) where: Base-Base interactions energy: -1840.316 where: short stacking energy: -734.336 Base-Backbone interact. energy: -2.736 local terms energy: -777.378228 where: bonds (distance) C4'-P energy: -148.342 bonds (distance) P-C4' energy: -156.013 flat angles C4'-P-C4' energy: -160.178 flat angles P-C4'-P energy: -95.444 tors. eta vs tors. theta energy: -217.400 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: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2333.280520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.280520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.280520 (E_RNA) where: Base-Base interactions energy: -1599.713 where: short stacking energy: -689.521 Base-Backbone interact. energy: -3.994 local terms energy: -729.573704 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -160.531 flat angles P-C4'-P energy: -90.107 tors. eta vs tors. theta energy: -190.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2216.597563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.597563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.597563 (E_RNA) where: Base-Base interactions energy: -1530.930 where: short stacking energy: -687.820 Base-Backbone interact. energy: -2.743 local terms energy: -682.924241 where: bonds (distance) C4'-P energy: -127.584 bonds (distance) P-C4' energy: -129.913 flat angles C4'-P-C4' energy: -145.573 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -191.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2008.928934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.928934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.928934 (E_RNA) where: Base-Base interactions energy: -1369.361 where: short stacking energy: -595.729 Base-Backbone interact. energy: -2.034 local terms energy: -637.534509 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -124.923 flat angles C4'-P-C4' energy: -143.946 flat angles P-C4'-P energy: -98.572 tors. eta vs tors. theta energy: -156.888 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: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1878.270089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.270089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.270089 (E_RNA) where: Base-Base interactions energy: -1278.336 where: short stacking energy: -562.753 Base-Backbone interact. energy: -0.673 local terms energy: -599.261467 where: bonds (distance) C4'-P energy: -107.927 bonds (distance) P-C4' energy: -128.516 flat angles C4'-P-C4' energy: -138.305 flat angles P-C4'-P energy: -94.371 tors. eta vs tors. theta energy: -130.141 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: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1568.122397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.122397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.122397 (E_RNA) where: Base-Base interactions energy: -1022.630 where: short stacking energy: -450.101 Base-Backbone interact. energy: 0.900 local terms energy: -546.392907 where: bonds (distance) C4'-P energy: -116.510 bonds (distance) P-C4' energy: -128.489 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -86.492 tors. eta vs tors. theta energy: -99.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1267.593533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.593533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.593533 (E_RNA) where: Base-Base interactions energy: -784.431 where: short stacking energy: -387.871 Base-Backbone interact. energy: 0.720 local terms energy: -483.882633 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -130.508 flat angles C4'-P-C4' energy: -113.152 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -72.712 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: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1094.405310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.405310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.405310 (E_RNA) where: Base-Base interactions energy: -686.699 where: short stacking energy: -304.675 Base-Backbone interact. energy: -1.016 local terms energy: -406.689884 where: bonds (distance) C4'-P energy: -101.945 bonds (distance) P-C4' energy: -122.192 flat angles C4'-P-C4' energy: -105.811 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: -7.457 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: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2741.082268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.082268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.082268 (E_RNA) where: Base-Base interactions energy: -1925.818 where: short stacking energy: -827.420 Base-Backbone interact. energy: -4.321 local terms energy: -810.943234 where: bonds (distance) C4'-P energy: -134.676 bonds (distance) P-C4' energy: -151.134 flat angles C4'-P-C4' energy: -170.926 flat angles P-C4'-P energy: -124.123 tors. eta vs tors. theta energy: -230.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2654.118320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.118320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.118320 (E_RNA) where: Base-Base interactions energy: -1866.739 where: short stacking energy: -772.039 Base-Backbone interact. energy: 3.483 local terms energy: -790.862721 where: bonds (distance) C4'-P energy: -139.867 bonds (distance) P-C4' energy: -143.712 flat angles C4'-P-C4' energy: -172.896 flat angles P-C4'-P energy: -113.030 tors. eta vs tors. theta energy: -221.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2594.339720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.339720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.339720 (E_RNA) where: Base-Base interactions energy: -1852.860 where: short stacking energy: -770.514 Base-Backbone interact. energy: 1.312 local terms energy: -742.791449 where: bonds (distance) C4'-P energy: -133.301 bonds (distance) P-C4' energy: -133.335 flat angles C4'-P-C4' energy: -163.651 flat angles P-C4'-P energy: -93.871 tors. eta vs tors. theta energy: -218.633 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: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2344.459761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.459761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.459761 (E_RNA) where: Base-Base interactions energy: -1632.636 where: short stacking energy: -682.635 Base-Backbone interact. energy: -2.317 local terms energy: -709.506759 where: bonds (distance) C4'-P energy: -124.174 bonds (distance) P-C4' energy: -135.454 flat angles C4'-P-C4' energy: -156.002 flat angles P-C4'-P energy: -103.980 tors. eta vs tors. theta energy: -189.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2147.235896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.235896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.235896 (E_RNA) where: Base-Base interactions energy: -1444.255 where: short stacking energy: -637.504 Base-Backbone interact. energy: -5.582 local terms energy: -697.399419 where: bonds (distance) C4'-P energy: -127.065 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -152.969 flat angles P-C4'-P energy: -96.530 tors. eta vs tors. theta energy: -186.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1949.288119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.288119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.288119 (E_RNA) where: Base-Base interactions energy: -1276.533 where: short stacking energy: -566.187 Base-Backbone interact. energy: 2.051 local terms energy: -674.806855 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -136.981 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -89.073 tors. eta vs tors. theta energy: -172.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1937.624604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.624604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.624604 (E_RNA) where: Base-Base interactions energy: -1309.683 where: short stacking energy: -566.291 Base-Backbone interact. energy: -1.699 local terms energy: -626.242099 where: bonds (distance) C4'-P energy: -126.475 bonds (distance) P-C4' energy: -121.769 flat angles C4'-P-C4' energy: -140.948 flat angles P-C4'-P energy: -105.040 tors. eta vs tors. theta energy: -132.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1489.444995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.444995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.444995 (E_RNA) where: Base-Base interactions energy: -957.540 where: short stacking energy: -444.218 Base-Backbone interact. energy: -0.663 local terms energy: -531.242532 where: bonds (distance) C4'-P energy: -108.325 bonds (distance) P-C4' energy: -135.229 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -89.064 tors. eta vs tors. theta energy: -79.695 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: 360 Temperature: 1.300000 Total energy: -1265.977357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.977357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.977357 (E_RNA) where: Base-Base interactions energy: -805.445 where: short stacking energy: -355.801 Base-Backbone interact. energy: -3.046 local terms energy: -457.486033 where: bonds (distance) C4'-P energy: -113.091 bonds (distance) P-C4' energy: -117.547 flat angles C4'-P-C4' energy: -109.175 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -59.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1075.593005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.593005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.593005 (E_RNA) where: Base-Base interactions energy: -659.752 where: short stacking energy: -295.844 Base-Backbone interact. energy: 1.319 local terms energy: -417.159717 where: bonds (distance) C4'-P energy: -90.571 bonds (distance) P-C4' energy: -113.276 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -18.552 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: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2773.100181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.100181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.100181 (E_RNA) where: Base-Base interactions energy: -1924.395 where: short stacking energy: -811.454 Base-Backbone interact. energy: -2.977 local terms energy: -845.727926 where: bonds (distance) C4'-P energy: -150.710 bonds (distance) P-C4' energy: -154.252 flat angles C4'-P-C4' energy: -180.201 flat angles P-C4'-P energy: -118.591 tors. eta vs tors. theta energy: -241.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2652.428700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.428700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.428700 (E_RNA) where: Base-Base interactions energy: -1843.766 where: short stacking energy: -754.398 Base-Backbone interact. energy: -1.420 local terms energy: -807.243278 where: bonds (distance) C4'-P energy: -157.723 bonds (distance) P-C4' energy: -143.039 flat angles C4'-P-C4' energy: -165.134 flat angles P-C4'-P energy: -117.799 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: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2580.071824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.071824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.071824 (E_RNA) where: Base-Base interactions energy: -1822.615 where: short stacking energy: -750.740 Base-Backbone interact. energy: -1.798 local terms energy: -755.659004 where: bonds (distance) C4'-P energy: -129.610 bonds (distance) P-C4' energy: -147.888 flat angles C4'-P-C4' energy: -177.185 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -200.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2278.655634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.655634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.655634 (E_RNA) where: Base-Base interactions energy: -1544.347 where: short stacking energy: -688.262 Base-Backbone interact. energy: -2.025 local terms energy: -732.283596 where: bonds (distance) C4'-P energy: -142.597 bonds (distance) P-C4' energy: -131.811 flat angles C4'-P-C4' energy: -149.786 flat angles P-C4'-P energy: -109.993 tors. eta vs tors. theta energy: -198.097 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: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2172.994824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.994824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.994824 (E_RNA) where: Base-Base interactions energy: -1459.432 where: short stacking energy: -632.539 Base-Backbone interact. energy: -0.893 local terms energy: -712.669940 where: bonds (distance) C4'-P energy: -141.811 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -146.497 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -177.249 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: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2009.306407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.306407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.306407 (E_RNA) where: Base-Base interactions energy: -1358.085 where: short stacking energy: -592.248 Base-Backbone interact. energy: -0.195 local terms energy: -651.026666 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -119.922 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -93.307 tors. eta vs tors. theta energy: -165.898 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1910.168568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.168568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.168568 (E_RNA) where: Base-Base interactions energy: -1307.068 where: short stacking energy: -568.857 Base-Backbone interact. energy: 0.507 local terms energy: -603.607630 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -126.387 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -133.827 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: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1426.885689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.885689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.885689 (E_RNA) where: Base-Base interactions energy: -914.782 where: short stacking energy: -436.526 Base-Backbone interact. energy: -2.674 local terms energy: -509.430384 where: bonds (distance) C4'-P energy: -121.598 bonds (distance) P-C4' energy: -116.665 flat angles C4'-P-C4' energy: -130.400 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -83.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1222.900627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.900627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.900627 (E_RNA) where: Base-Base interactions energy: -731.415 where: short stacking energy: -345.446 Base-Backbone interact. energy: -2.035 local terms energy: -489.450137 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -133.324 flat angles C4'-P-C4' energy: -117.403 flat angles P-C4'-P energy: -58.593 tors. eta vs tors. theta energy: -49.985 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: 361 Temperature: 1.350000 Total energy: -1172.264624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.264624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.264624 (E_RNA) where: Base-Base interactions energy: -702.989 where: short stacking energy: -318.259 Base-Backbone interact. energy: 0.248 local terms energy: -469.523755 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -123.334 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -51.020 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: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2789.406153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.406153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.406153 (E_RNA) where: Base-Base interactions energy: -1948.887 where: short stacking energy: -817.746 Base-Backbone interact. energy: -2.586 local terms energy: -837.932927 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -170.043 flat angles P-C4'-P energy: -115.863 tors. eta vs tors. theta energy: -253.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2664.208962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.208962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.208962 (E_RNA) where: Base-Base interactions energy: -1866.095 where: short stacking energy: -770.964 Base-Backbone interact. energy: -1.484 local terms energy: -796.630408 where: bonds (distance) C4'-P energy: -151.506 bonds (distance) P-C4' energy: -131.814 flat angles C4'-P-C4' energy: -176.735 flat angles P-C4'-P energy: -115.865 tors. eta vs tors. theta energy: -220.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2579.693806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.693806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.693806 (E_RNA) where: Base-Base interactions energy: -1798.331 where: short stacking energy: -755.608 Base-Backbone interact. energy: -1.182 local terms energy: -780.181162 where: bonds (distance) C4'-P energy: -145.787 bonds (distance) P-C4' energy: -153.302 flat angles C4'-P-C4' energy: -165.607 flat angles P-C4'-P energy: -99.365 tors. eta vs tors. theta energy: -216.121 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: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2361.578581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.578581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.578581 (E_RNA) where: Base-Base interactions energy: -1612.258 where: short stacking energy: -694.926 Base-Backbone interact. energy: -2.560 local terms energy: -746.760495 where: bonds (distance) C4'-P energy: -129.913 bonds (distance) P-C4' energy: -146.244 flat angles C4'-P-C4' energy: -151.603 flat angles P-C4'-P energy: -109.196 tors. eta vs tors. theta energy: -209.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2184.017599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.017599 (E_RNA) where: Base-Base interactions energy: -1471.384 where: short stacking energy: -640.022 Base-Backbone interact. energy: -0.570 local terms energy: -712.063327 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -130.347 flat angles C4'-P-C4' energy: -144.593 flat angles P-C4'-P energy: -88.871 tors. eta vs tors. theta energy: -204.621 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1993.242230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.242230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.242230 (E_RNA) where: Base-Base interactions energy: -1327.832 where: short stacking energy: -574.860 Base-Backbone interact. energy: -1.407 local terms energy: -664.003276 where: bonds (distance) C4'-P energy: -133.745 bonds (distance) P-C4' energy: -130.778 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -156.013 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: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1922.032794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.032794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.032794 (E_RNA) where: Base-Base interactions energy: -1297.424 where: short stacking energy: -561.952 Base-Backbone interact. energy: -2.275 local terms energy: -622.333509 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -129.809 flat angles P-C4'-P energy: -98.013 tors. eta vs tors. theta energy: -144.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1430.199284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.199284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.199284 (E_RNA) where: Base-Base interactions energy: -912.015 where: short stacking energy: -416.105 Base-Backbone interact. energy: 5.687 local terms energy: -523.870659 where: bonds (distance) C4'-P energy: -132.015 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -126.409 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -72.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1294.369014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.369014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.369014 (E_RNA) where: Base-Base interactions energy: -803.400 where: short stacking energy: -387.592 Base-Backbone interact. energy: -0.435 local terms energy: -490.533573 where: bonds (distance) C4'-P energy: -131.983 bonds (distance) P-C4' energy: -129.213 flat angles C4'-P-C4' energy: -112.142 flat angles P-C4'-P energy: -63.654 tors. eta vs tors. theta energy: -53.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1137.524125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.524125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.524125 (E_RNA) where: Base-Base interactions energy: -683.957 where: short stacking energy: -320.263 Base-Backbone interact. energy: 0.601 local terms energy: -454.167899 where: bonds (distance) C4'-P energy: -118.051 bonds (distance) P-C4' energy: -114.679 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2787.484411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.484411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.484411 (E_RNA) where: Base-Base interactions energy: -1970.615 where: short stacking energy: -835.711 Base-Backbone interact. energy: -1.841 local terms energy: -815.027534 where: bonds (distance) C4'-P energy: -145.397 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -174.760 flat angles P-C4'-P energy: -120.014 tors. eta vs tors. theta energy: -245.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2629.161810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.161810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.161810 (E_RNA) where: Base-Base interactions energy: -1831.628 where: short stacking energy: -752.253 Base-Backbone interact. energy: -3.984 local terms energy: -793.550045 where: bonds (distance) C4'-P energy: -145.735 bonds (distance) P-C4' energy: -142.660 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -111.386 tors. eta vs tors. theta energy: -223.473 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: 363 Temperature: 1.000000 Total energy: -2575.561005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.561005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.561005 (E_RNA) where: Base-Base interactions energy: -1828.250 where: short stacking energy: -767.344 Base-Backbone interact. energy: 4.363 local terms energy: -751.673549 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -136.791 flat angles C4'-P-C4' energy: -163.580 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -206.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2261.388288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.388288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.388288 (E_RNA) where: Base-Base interactions energy: -1533.887 where: short stacking energy: -687.758 Base-Backbone interact. energy: -3.932 local terms energy: -723.570057 where: bonds (distance) C4'-P energy: -137.424 bonds (distance) P-C4' energy: -142.741 flat angles C4'-P-C4' energy: -157.845 flat angles P-C4'-P energy: -89.493 tors. eta vs tors. theta energy: -196.066 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: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2295.755672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.755672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.755672 (E_RNA) where: Base-Base interactions energy: -1572.667 where: short stacking energy: -681.766 Base-Backbone interact. energy: -5.862 local terms energy: -717.226534 where: bonds (distance) C4'-P energy: -140.580 bonds (distance) P-C4' energy: -118.854 flat angles C4'-P-C4' energy: -151.203 flat angles P-C4'-P energy: -110.671 tors. eta vs tors. theta energy: -195.919 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: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1960.016789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.016789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.016789 (E_RNA) where: Base-Base interactions energy: -1322.820 where: short stacking energy: -566.461 Base-Backbone interact. energy: -2.205 local terms energy: -634.991025 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -124.397 flat angles C4'-P-C4' energy: -144.769 flat angles P-C4'-P energy: -86.336 tors. eta vs tors. theta energy: -152.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1846.281505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.281505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.281505 (E_RNA) where: Base-Base interactions energy: -1249.596 where: short stacking energy: -536.951 Base-Backbone interact. energy: 3.359 local terms energy: -600.044436 where: bonds (distance) C4'-P energy: -122.587 bonds (distance) P-C4' energy: -122.987 flat angles C4'-P-C4' energy: -144.191 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -133.775 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1449.352587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.352587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.352587 (E_RNA) where: Base-Base interactions energy: -917.323 where: short stacking energy: -420.279 Base-Backbone interact. energy: -1.364 local terms energy: -530.665253 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -133.051 flat angles C4'-P-C4' energy: -124.854 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -86.783 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: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1286.776000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.776000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.776000 (E_RNA) where: Base-Base interactions energy: -795.341 where: short stacking energy: -393.662 Base-Backbone interact. energy: -2.231 local terms energy: -489.204157 where: bonds (distance) C4'-P energy: -106.563 bonds (distance) P-C4' energy: -126.845 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -62.517 tors. eta vs tors. theta energy: -64.940 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: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1069.110813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.110813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.110813 (E_RNA) where: Base-Base interactions energy: -644.856 where: short stacking energy: -288.312 Base-Backbone interact. energy: -0.350 local terms energy: -423.905181 where: bonds (distance) C4'-P energy: -88.694 bonds (distance) P-C4' energy: -115.388 flat angles C4'-P-C4' energy: -109.595 flat angles P-C4'-P energy: -78.820 tors. eta vs tors. theta energy: -31.408 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: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2786.762708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.762708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.762708 (E_RNA) where: Base-Base interactions energy: -1926.448 where: short stacking energy: -823.087 Base-Backbone interact. energy: -1.468 local terms energy: -858.846357 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -156.842 flat angles C4'-P-C4' energy: -180.935 flat angles P-C4'-P energy: -124.726 tors. eta vs tors. theta energy: -255.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2613.610840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.610840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.610840 (E_RNA) where: Base-Base interactions energy: -1861.458 where: short stacking energy: -775.277 Base-Backbone interact. energy: 3.621 local terms energy: -755.774766 where: bonds (distance) C4'-P energy: -131.273 bonds (distance) P-C4' energy: -137.251 flat angles C4'-P-C4' energy: -176.900 flat angles P-C4'-P energy: -89.521 tors. eta vs tors. theta energy: -220.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2549.392106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.392106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.392106 (E_RNA) where: Base-Base interactions energy: -1755.744 where: short stacking energy: -732.593 Base-Backbone interact. energy: -1.709 local terms energy: -791.939290 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -159.078 flat angles C4'-P-C4' energy: -167.784 flat angles P-C4'-P energy: -120.921 tors. eta vs tors. theta energy: -200.520 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: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2170.601462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.601462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.601462 (E_RNA) where: Base-Base interactions energy: -1455.944 where: short stacking energy: -664.244 Base-Backbone interact. energy: 0.353 local terms energy: -715.010211 where: bonds (distance) C4'-P energy: -149.048 bonds (distance) P-C4' energy: -133.971 flat angles C4'-P-C4' energy: -154.459 flat angles P-C4'-P energy: -88.798 tors. eta vs tors. theta energy: -188.735 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: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2281.202409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.202409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.202409 (E_RNA) where: Base-Base interactions energy: -1528.942 where: short stacking energy: -667.085 Base-Backbone interact. energy: 0.587 local terms energy: -752.848068 where: bonds (distance) C4'-P energy: -133.987 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -161.153 flat angles P-C4'-P energy: -105.274 tors. eta vs tors. theta energy: -198.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1945.109751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.109751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.109751 (E_RNA) where: Base-Base interactions energy: -1294.323 where: short stacking energy: -544.312 Base-Backbone interact. energy: -4.097 local terms energy: -646.689658 where: bonds (distance) C4'-P energy: -116.748 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -153.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1919.086849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.086849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.086849 (E_RNA) where: Base-Base interactions energy: -1277.878 where: short stacking energy: -558.350 Base-Backbone interact. energy: -1.605 local terms energy: -639.603240 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -131.151 flat angles C4'-P-C4' energy: -132.402 flat angles P-C4'-P energy: -95.438 tors. eta vs tors. theta energy: -151.199 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: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1432.113221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.113221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.113221 (E_RNA) where: Base-Base interactions energy: -908.129 where: short stacking energy: -380.186 Base-Backbone interact. energy: 0.250 local terms energy: -524.234394 where: bonds (distance) C4'-P energy: -113.947 bonds (distance) P-C4' energy: -139.988 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -64.794 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: 364 Temperature: 1.300000 Total energy: -1264.646243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.646243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.646243 (E_RNA) where: Base-Base interactions energy: -819.854 where: short stacking energy: -387.906 Base-Backbone interact. energy: 1.791 local terms energy: -446.583039 where: bonds (distance) C4'-P energy: -115.178 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -106.126 flat angles P-C4'-P energy: -64.299 tors. eta vs tors. theta energy: -63.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1140.227738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.227738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.227738 (E_RNA) where: Base-Base interactions energy: -692.632 where: short stacking energy: -340.258 Base-Backbone interact. energy: -2.553 local terms energy: -445.041969 where: bonds (distance) C4'-P energy: -112.214 bonds (distance) P-C4' energy: -126.753 flat angles C4'-P-C4' energy: -108.391 flat angles P-C4'-P energy: -46.208 tors. eta vs tors. theta energy: -51.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2767.593485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.593485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.593485 (E_RNA) where: Base-Base interactions energy: -1943.944 where: short stacking energy: -817.404 Base-Backbone interact. energy: -4.094 local terms energy: -819.555023 where: bonds (distance) C4'-P energy: -147.304 bonds (distance) P-C4' energy: -143.397 flat angles C4'-P-C4' energy: -178.859 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -245.385 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: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2640.838745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.838745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.838745 (E_RNA) where: Base-Base interactions energy: -1837.200 where: short stacking energy: -751.287 Base-Backbone interact. energy: 3.993 local terms energy: -807.632074 where: bonds (distance) C4'-P energy: -139.668 bonds (distance) P-C4' energy: -151.126 flat angles C4'-P-C4' energy: -175.279 flat angles P-C4'-P energy: -110.906 tors. eta vs tors. theta energy: -230.653 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: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2584.483943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.483943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.483943 (E_RNA) where: Base-Base interactions energy: -1836.921 where: short stacking energy: -777.634 Base-Backbone interact. energy: -4.050 local terms energy: -743.512929 where: bonds (distance) C4'-P energy: -130.959 bonds (distance) P-C4' energy: -137.942 flat angles C4'-P-C4' energy: -148.768 flat angles P-C4'-P energy: -113.380 tors. eta vs tors. theta energy: -212.465 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: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2277.424382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.424382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.424382 (E_RNA) where: Base-Base interactions energy: -1556.584 where: short stacking energy: -678.091 Base-Backbone interact. energy: -0.374 local terms energy: -720.466466 where: bonds (distance) C4'-P energy: -129.389 bonds (distance) P-C4' energy: -145.848 flat angles C4'-P-C4' energy: -148.769 flat angles P-C4'-P energy: -92.381 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: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2215.154616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.154616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.154616 (E_RNA) where: Base-Base interactions energy: -1514.478 where: short stacking energy: -639.379 Base-Backbone interact. energy: -1.315 local terms energy: -699.361040 where: bonds (distance) C4'-P energy: -131.366 bonds (distance) P-C4' energy: -139.590 flat angles C4'-P-C4' energy: -156.514 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -179.716 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1987.011431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.011431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.011431 (E_RNA) where: Base-Base interactions energy: -1330.024 where: short stacking energy: -572.292 Base-Backbone interact. energy: -0.413 local terms energy: -656.573497 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -131.923 flat angles C4'-P-C4' energy: -147.502 flat angles P-C4'-P energy: -97.617 tors. eta vs tors. theta energy: -145.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1898.241311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.241311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.241311 (E_RNA) where: Base-Base interactions energy: -1289.389 where: short stacking energy: -555.616 Base-Backbone interact. energy: 2.082 local terms energy: -610.934427 where: bonds (distance) C4'-P energy: -124.658 bonds (distance) P-C4' energy: -106.065 flat angles C4'-P-C4' energy: -150.982 flat angles P-C4'-P energy: -96.158 tors. eta vs tors. theta energy: -133.072 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: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1511.732340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.732340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.732340 (E_RNA) where: Base-Base interactions energy: -981.309 where: short stacking energy: -450.874 Base-Backbone interact. energy: -4.090 local terms energy: -526.333433 where: bonds (distance) C4'-P energy: -111.084 bonds (distance) P-C4' energy: -141.272 flat angles C4'-P-C4' energy: -115.663 flat angles P-C4'-P energy: -73.007 tors. eta vs tors. theta energy: -85.308 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: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1316.219510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.219510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.219510 (E_RNA) where: Base-Base interactions energy: -801.706 where: short stacking energy: -358.733 Base-Backbone interact. energy: 1.688 local terms energy: -516.201872 where: bonds (distance) C4'-P energy: -110.554 bonds (distance) P-C4' energy: -127.572 flat angles C4'-P-C4' energy: -140.362 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -70.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1178.175760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.175760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.175760 (E_RNA) where: Base-Base interactions energy: -704.137 where: short stacking energy: -343.304 Base-Backbone interact. energy: -1.940 local terms energy: -472.098727 where: bonds (distance) C4'-P energy: -115.491 bonds (distance) P-C4' energy: -113.850 flat angles C4'-P-C4' energy: -116.974 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -54.539 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: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2754.236508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.236508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.236508 (E_RNA) where: Base-Base interactions energy: -1939.933 where: short stacking energy: -830.551 Base-Backbone interact. energy: -0.371 local terms energy: -813.931965 where: bonds (distance) C4'-P energy: -137.974 bonds (distance) P-C4' energy: -141.319 flat angles C4'-P-C4' energy: -172.025 flat angles P-C4'-P energy: -127.131 tors. eta vs tors. theta energy: -235.482 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: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2649.143101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.143101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.143101 (E_RNA) where: Base-Base interactions energy: -1862.570 where: short stacking energy: -783.392 Base-Backbone interact. energy: -4.269 local terms energy: -782.303510 where: bonds (distance) C4'-P energy: -154.503 bonds (distance) P-C4' energy: -130.706 flat angles C4'-P-C4' energy: -169.422 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -218.643 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: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2596.390095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.390095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.390095 (E_RNA) where: Base-Base interactions energy: -1832.112 where: short stacking energy: -765.532 Base-Backbone interact. energy: -3.517 local terms energy: -760.761467 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -155.418 flat angles P-C4'-P energy: -111.238 tors. eta vs tors. theta energy: -222.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2278.258870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.258870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.258870 (E_RNA) where: Base-Base interactions energy: -1529.108 where: short stacking energy: -679.845 Base-Backbone interact. energy: -3.075 local terms energy: -746.076150 where: bonds (distance) C4'-P energy: -129.302 bonds (distance) P-C4' energy: -146.575 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -116.182 tors. eta vs tors. theta energy: -210.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2217.643762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.643762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.643762 (E_RNA) where: Base-Base interactions energy: -1540.738 where: short stacking energy: -668.489 Base-Backbone interact. energy: -1.165 local terms energy: -675.740484 where: bonds (distance) C4'-P energy: -109.515 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -144.326 flat angles P-C4'-P energy: -106.324 tors. eta vs tors. theta energy: -185.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1911.488564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.488564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.488564 (E_RNA) where: Base-Base interactions energy: -1279.659 where: short stacking energy: -551.628 Base-Backbone interact. energy: -2.811 local terms energy: -629.018126 where: bonds (distance) C4'-P energy: -134.216 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -134.977 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: -135.693 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: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1885.915304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.915304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.915304 (E_RNA) where: Base-Base interactions energy: -1251.685 where: short stacking energy: -537.930 Base-Backbone interact. energy: -4.346 local terms energy: -629.884841 where: bonds (distance) C4'-P energy: -134.736 bonds (distance) P-C4' energy: -134.408 flat angles C4'-P-C4' energy: -140.413 flat angles P-C4'-P energy: -82.935 tors. eta vs tors. theta energy: -137.392 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: 366 Temperature: 1.250000 Total energy: -1524.182820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.182820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.182820 (E_RNA) where: Base-Base interactions energy: -991.143 where: short stacking energy: -428.806 Base-Backbone interact. energy: -1.772 local terms energy: -531.267377 where: bonds (distance) C4'-P energy: -100.418 bonds (distance) P-C4' energy: -116.187 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -88.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1376.432836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.432836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.432836 (E_RNA) where: Base-Base interactions energy: -848.516 where: short stacking energy: -394.639 Base-Backbone interact. energy: 4.132 local terms energy: -532.049306 where: bonds (distance) C4'-P energy: -113.380 bonds (distance) P-C4' energy: -125.502 flat angles C4'-P-C4' energy: -129.532 flat angles P-C4'-P energy: -77.770 tors. eta vs tors. theta energy: -85.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1179.597874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.597874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.597874 (E_RNA) where: Base-Base interactions energy: -729.233 where: short stacking energy: -348.911 Base-Backbone interact. energy: -3.361 local terms energy: -447.003477 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -109.046 flat angles C4'-P-C4' energy: -121.630 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: -52.859 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: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2758.921633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.921633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.921633 (E_RNA) where: Base-Base interactions energy: -1894.896 where: short stacking energy: -813.311 Base-Backbone interact. energy: -0.125 local terms energy: -863.900614 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -176.502 flat angles P-C4'-P energy: -116.976 tors. eta vs tors. theta energy: -249.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2662.985580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.985580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.985580 (E_RNA) where: Base-Base interactions energy: -1879.939 where: short stacking energy: -768.715 Base-Backbone interact. energy: -3.153 local terms energy: -779.893869 where: bonds (distance) C4'-P energy: -142.002 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -178.525 flat angles P-C4'-P energy: -111.647 tors. eta vs tors. theta energy: -220.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2532.443382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.443382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.443382 (E_RNA) where: Base-Base interactions energy: -1775.752 where: short stacking energy: -711.996 Base-Backbone interact. energy: 1.183 local terms energy: -757.874387 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -161.940 flat angles C4'-P-C4' energy: -162.879 flat angles P-C4'-P energy: -101.453 tors. eta vs tors. theta energy: -203.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2245.018235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.018235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.018235 (E_RNA) where: Base-Base interactions energy: -1516.521 where: short stacking energy: -670.889 Base-Backbone interact. energy: -2.997 local terms energy: -725.500584 where: bonds (distance) C4'-P energy: -132.486 bonds (distance) P-C4' energy: -136.477 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -120.294 tors. eta vs tors. theta energy: -193.866 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: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2202.783863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.783863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.783863 (E_RNA) where: Base-Base interactions energy: -1512.117 where: short stacking energy: -646.560 Base-Backbone interact. energy: -0.613 local terms energy: -690.053690 where: bonds (distance) C4'-P energy: -133.962 bonds (distance) P-C4' energy: -128.304 flat angles C4'-P-C4' energy: -147.233 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -183.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1961.467118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.467118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.467118 (E_RNA) where: Base-Base interactions energy: -1305.487 where: short stacking energy: -563.318 Base-Backbone interact. energy: 1.443 local terms energy: -657.423706 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -146.404 flat angles C4'-P-C4' energy: -157.023 flat angles P-C4'-P energy: -88.637 tors. eta vs tors. theta energy: -138.286 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: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1889.331888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.331888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.331888 (E_RNA) where: Base-Base interactions energy: -1301.119 where: short stacking energy: -566.248 Base-Backbone interact. energy: 1.771 local terms energy: -589.984360 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -127.191 flat angles C4'-P-C4' energy: -135.894 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -132.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1468.067755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.067755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.067755 (E_RNA) where: Base-Base interactions energy: -921.838 where: short stacking energy: -427.494 Base-Backbone interact. energy: 0.251 local terms energy: -546.480433 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -142.132 flat angles C4'-P-C4' energy: -123.448 flat angles P-C4'-P energy: -75.174 tors. eta vs tors. theta energy: -80.856 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: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1364.777184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.777184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.777184 (E_RNA) where: Base-Base interactions energy: -876.265 where: short stacking energy: -385.946 Base-Backbone interact. energy: 1.465 local terms energy: -489.977381 where: bonds (distance) C4'-P energy: -105.136 bonds (distance) P-C4' energy: -120.487 flat angles C4'-P-C4' energy: -137.874 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -60.837 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: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1144.174237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.174237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.174237 (E_RNA) where: Base-Base interactions energy: -689.704 where: short stacking energy: -312.219 Base-Backbone interact. energy: -4.097 local terms energy: -450.372972 where: bonds (distance) C4'-P energy: -116.966 bonds (distance) P-C4' energy: -105.089 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -83.260 tors. eta vs tors. theta energy: -41.830 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: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2781.696585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.696585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.696585 (E_RNA) where: Base-Base interactions energy: -1936.249 where: short stacking energy: -810.169 Base-Backbone interact. energy: 0.067 local terms energy: -845.514491 where: bonds (distance) C4'-P energy: -154.105 bonds (distance) P-C4' energy: -153.259 flat angles C4'-P-C4' energy: -178.803 flat angles P-C4'-P energy: -118.580 tors. eta vs tors. theta energy: -240.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2665.852584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.852584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.852584 (E_RNA) where: Base-Base interactions energy: -1845.277 where: short stacking energy: -784.440 Base-Backbone interact. energy: -4.772 local terms energy: -815.803604 where: bonds (distance) C4'-P energy: -156.032 bonds (distance) P-C4' energy: -156.352 flat angles C4'-P-C4' energy: -162.005 flat angles P-C4'-P energy: -111.275 tors. eta vs tors. theta energy: -230.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2539.782752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.782752 (E_RNA) where: Base-Base interactions energy: -1776.601 where: short stacking energy: -743.249 Base-Backbone interact. energy: 5.467 local terms energy: -768.649571 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -149.712 flat angles C4'-P-C4' energy: -163.674 flat angles P-C4'-P energy: -106.572 tors. eta vs tors. theta energy: -212.487 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: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2276.090030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.090030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.090030 (E_RNA) where: Base-Base interactions energy: -1569.776 where: short stacking energy: -673.017 Base-Backbone interact. energy: -1.269 local terms energy: -705.044911 where: bonds (distance) C4'-P energy: -128.300 bonds (distance) P-C4' energy: -128.715 flat angles C4'-P-C4' energy: -159.380 flat angles P-C4'-P energy: -90.763 tors. eta vs tors. theta energy: -197.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2178.570798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.570798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.570798 (E_RNA) where: Base-Base interactions energy: -1472.090 where: short stacking energy: -650.340 Base-Backbone interact. energy: -3.331 local terms energy: -703.149887 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -131.208 flat angles C4'-P-C4' energy: -146.538 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -189.275 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: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2004.780402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.780402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.780402 (E_RNA) where: Base-Base interactions energy: -1364.198 where: short stacking energy: -579.296 Base-Backbone interact. energy: -1.458 local terms energy: -639.123942 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -122.410 flat angles C4'-P-C4' energy: -139.640 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -161.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1873.710572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.710572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.710572 (E_RNA) where: Base-Base interactions energy: -1278.140 where: short stacking energy: -539.909 Base-Backbone interact. energy: -0.847 local terms energy: -594.723699 where: bonds (distance) C4'-P energy: -127.918 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -122.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1558.570168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.570168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.570168 (E_RNA) where: Base-Base interactions energy: -1008.985 where: short stacking energy: -425.078 Base-Backbone interact. energy: -1.654 local terms energy: -547.931038 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -136.398 flat angles P-C4'-P energy: -78.506 tors. eta vs tors. theta energy: -79.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1392.228182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.228182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.228182 (E_RNA) where: Base-Base interactions energy: -880.614 where: short stacking energy: -399.935 Base-Backbone interact. energy: -0.613 local terms energy: -511.001573 where: bonds (distance) C4'-P energy: -115.350 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -125.543 flat angles P-C4'-P energy: -72.474 tors. eta vs tors. theta energy: -74.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1113.396193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.396193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.396193 (E_RNA) where: Base-Base interactions energy: -658.374 where: short stacking energy: -300.094 Base-Backbone interact. energy: -1.623 local terms energy: -453.399652 where: bonds (distance) C4'-P energy: -108.978 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -106.409 flat angles P-C4'-P energy: -76.624 tors. eta vs tors. theta energy: -22.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2783.722334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.722334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.722334 (E_RNA) where: Base-Base interactions energy: -1939.945 where: short stacking energy: -811.378 Base-Backbone interact. energy: -4.359 local terms energy: -839.417769 where: bonds (distance) C4'-P energy: -153.317 bonds (distance) P-C4' energy: -153.375 flat angles C4'-P-C4' energy: -179.588 flat angles P-C4'-P energy: -108.561 tors. eta vs tors. theta energy: -244.577 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: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2658.803316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.803316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.803316 (E_RNA) where: Base-Base interactions energy: -1850.224 where: short stacking energy: -761.836 Base-Backbone interact. energy: -4.511 local terms energy: -804.068382 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -147.144 flat angles C4'-P-C4' energy: -175.509 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -224.959 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: 369 Temperature: 1.000000 Total energy: -2521.065088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.065088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.065088 (E_RNA) where: Base-Base interactions energy: -1749.114 where: short stacking energy: -729.501 Base-Backbone interact. energy: -4.582 local terms energy: -767.368950 where: bonds (distance) C4'-P energy: -131.028 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -165.522 flat angles P-C4'-P energy: -112.444 tors. eta vs tors. theta energy: -203.479 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: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2281.516458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.516458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.516458 (E_RNA) where: Base-Base interactions energy: -1554.119 where: short stacking energy: -659.564 Base-Backbone interact. energy: 0.181 local terms energy: -727.578473 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -154.352 flat angles C4'-P-C4' energy: -146.430 flat angles P-C4'-P energy: -95.623 tors. eta vs tors. theta energy: -186.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2199.230700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.230700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.230700 (E_RNA) where: Base-Base interactions energy: -1469.572 where: short stacking energy: -658.092 Base-Backbone interact. energy: -2.702 local terms energy: -726.956784 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -143.872 flat angles C4'-P-C4' energy: -158.745 flat angles P-C4'-P energy: -101.875 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: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1977.588270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.588270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.588270 (E_RNA) where: Base-Base interactions energy: -1376.742 where: short stacking energy: -557.875 Base-Backbone interact. energy: 3.438 local terms energy: -604.283382 where: bonds (distance) C4'-P energy: -107.538 bonds (distance) P-C4' energy: -119.139 flat angles C4'-P-C4' energy: -134.156 flat angles P-C4'-P energy: -98.460 tors. eta vs tors. theta energy: -144.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1882.483509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.483509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.483509 (E_RNA) where: Base-Base interactions energy: -1275.152 where: short stacking energy: -577.838 Base-Backbone interact. energy: -3.150 local terms energy: -604.182018 where: bonds (distance) C4'-P energy: -108.563 bonds (distance) P-C4' energy: -118.987 flat angles C4'-P-C4' energy: -135.588 flat angles P-C4'-P energy: -96.603 tors. eta vs tors. theta energy: -144.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1589.351344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.351344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.351344 (E_RNA) where: Base-Base interactions energy: -1042.663 where: short stacking energy: -441.296 Base-Backbone interact. energy: 3.848 local terms energy: -550.535755 where: bonds (distance) C4'-P energy: -118.008 bonds (distance) P-C4' energy: -117.565 flat angles C4'-P-C4' energy: -130.650 flat angles P-C4'-P energy: -90.267 tors. eta vs tors. theta energy: -94.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1364.093394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.093394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.093394 (E_RNA) where: Base-Base interactions energy: -849.224 where: short stacking energy: -391.877 Base-Backbone interact. energy: -1.844 local terms energy: -513.024933 where: bonds (distance) C4'-P energy: -117.382 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -125.810 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: -85.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1087.507142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.507142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.507142 (E_RNA) where: Base-Base interactions energy: -664.248 where: short stacking energy: -300.078 Base-Backbone interact. energy: -2.714 local terms energy: -420.544233 where: bonds (distance) C4'-P energy: -101.396 bonds (distance) P-C4' energy: -125.737 flat angles C4'-P-C4' energy: -94.817 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -42.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2794.368648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.368648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.368648 (E_RNA) where: Base-Base interactions energy: -1944.733 where: short stacking energy: -823.229 Base-Backbone interact. energy: -2.901 local terms energy: -846.734970 where: bonds (distance) C4'-P energy: -155.771 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -171.463 flat angles P-C4'-P energy: -127.820 tors. eta vs tors. theta energy: -245.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2665.781904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.781904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.781904 (E_RNA) where: Base-Base interactions energy: -1844.712 where: short stacking energy: -758.598 Base-Backbone interact. energy: -2.640 local terms energy: -818.430098 where: bonds (distance) C4'-P energy: -151.692 bonds (distance) P-C4' energy: -156.574 flat angles C4'-P-C4' energy: -170.418 flat angles P-C4'-P energy: -109.554 tors. eta vs tors. theta energy: -230.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2536.282546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.282546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.282546 (E_RNA) where: Base-Base interactions energy: -1771.951 where: short stacking energy: -751.398 Base-Backbone interact. energy: -2.868 local terms energy: -761.462916 where: bonds (distance) C4'-P energy: -135.994 bonds (distance) P-C4' energy: -125.581 flat angles C4'-P-C4' energy: -168.065 flat angles P-C4'-P energy: -121.511 tors. eta vs tors. theta energy: -210.312 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: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2322.827886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.827886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.827886 (E_RNA) where: Base-Base interactions energy: -1594.859 where: short stacking energy: -710.105 Base-Backbone interact. energy: -1.641 local terms energy: -726.327524 where: bonds (distance) C4'-P energy: -138.038 bonds (distance) P-C4' energy: -133.556 flat angles C4'-P-C4' energy: -155.543 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -197.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2152.869351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.869351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.869351 (E_RNA) where: Base-Base interactions energy: -1453.287 where: short stacking energy: -641.703 Base-Backbone interact. energy: -3.349 local terms energy: -696.233752 where: bonds (distance) C4'-P energy: -121.988 bonds (distance) P-C4' energy: -131.817 flat angles C4'-P-C4' energy: -156.025 flat angles P-C4'-P energy: -96.079 tors. eta vs tors. theta energy: -190.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1969.030595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.030595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.030595 (E_RNA) where: Base-Base interactions energy: -1336.403 where: short stacking energy: -587.570 Base-Backbone interact. energy: -5.343 local terms energy: -627.284796 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -142.733 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -146.419 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: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1835.174809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.174809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.174809 (E_RNA) where: Base-Base interactions energy: -1267.068 where: short stacking energy: -534.429 Base-Backbone interact. energy: 1.522 local terms energy: -569.629396 where: bonds (distance) C4'-P energy: -115.345 bonds (distance) P-C4' energy: -123.303 flat angles C4'-P-C4' energy: -143.893 flat angles P-C4'-P energy: -70.162 tors. eta vs tors. theta energy: -116.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1448.002417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.002417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.002417 (E_RNA) where: Base-Base interactions energy: -915.069 where: short stacking energy: -429.176 Base-Backbone interact. energy: 0.383 local terms energy: -533.317158 where: bonds (distance) C4'-P energy: -123.209 bonds (distance) P-C4' energy: -102.883 flat angles C4'-P-C4' energy: -138.372 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -88.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1387.473248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.473248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.473248 (E_RNA) where: Base-Base interactions energy: -878.504 where: short stacking energy: -418.136 Base-Backbone interact. energy: -0.137 local terms energy: -508.832266 where: bonds (distance) C4'-P energy: -89.146 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -90.189 tors. eta vs tors. theta energy: -78.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1127.432082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.432082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.432082 (E_RNA) where: Base-Base interactions energy: -684.048 where: short stacking energy: -325.094 Base-Backbone interact. energy: 5.707 local terms energy: -449.091663 where: bonds (distance) C4'-P energy: -114.916 bonds (distance) P-C4' energy: -122.863 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -72.369 tors. eta vs tors. theta energy: -27.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2766.891443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.891443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.891443 (E_RNA) where: Base-Base interactions energy: -1938.016 where: short stacking energy: -799.047 Base-Backbone interact. energy: -2.202 local terms energy: -826.673390 where: bonds (distance) C4'-P energy: -154.531 bonds (distance) P-C4' energy: -151.375 flat angles C4'-P-C4' energy: -169.115 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -235.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2659.880996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.880996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.880996 (E_RNA) where: Base-Base interactions energy: -1868.918 where: short stacking energy: -771.250 Base-Backbone interact. energy: -1.699 local terms energy: -789.264212 where: bonds (distance) C4'-P energy: -136.145 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -173.352 flat angles P-C4'-P energy: -116.090 tors. eta vs tors. theta energy: -224.948 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: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2579.402241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.402241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.402241 (E_RNA) where: Base-Base interactions energy: -1823.355 where: short stacking energy: -748.331 Base-Backbone interact. energy: -0.439 local terms energy: -755.607801 where: bonds (distance) C4'-P energy: -142.710 bonds (distance) P-C4' energy: -134.461 flat angles C4'-P-C4' energy: -165.687 flat angles P-C4'-P energy: -106.540 tors. eta vs tors. theta energy: -206.210 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: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2304.757601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.757601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.757601 (E_RNA) where: Base-Base interactions energy: -1587.182 where: short stacking energy: -682.327 Base-Backbone interact. energy: -1.718 local terms energy: -715.858122 where: bonds (distance) C4'-P energy: -144.483 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -153.382 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -194.189 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: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2168.433147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.433147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.433147 (E_RNA) where: Base-Base interactions energy: -1456.582 where: short stacking energy: -662.905 Base-Backbone interact. energy: -1.391 local terms energy: -710.460363 where: bonds (distance) C4'-P energy: -138.125 bonds (distance) P-C4' energy: -125.176 flat angles C4'-P-C4' energy: -154.042 flat angles P-C4'-P energy: -101.369 tors. eta vs tors. theta energy: -191.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1973.850650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.850650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.850650 (E_RNA) where: Base-Base interactions energy: -1345.934 where: short stacking energy: -574.465 Base-Backbone interact. energy: -1.145 local terms energy: -626.771644 where: bonds (distance) C4'-P energy: -127.857 bonds (distance) P-C4' energy: -114.648 flat angles C4'-P-C4' energy: -138.961 flat angles P-C4'-P energy: -103.779 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: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1891.989516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.989516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.989516 (E_RNA) where: Base-Base interactions energy: -1275.414 where: short stacking energy: -564.614 Base-Backbone interact. energy: 2.171 local terms energy: -618.746720 where: bonds (distance) C4'-P energy: -118.887 bonds (distance) P-C4' energy: -131.640 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -132.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1504.084350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.084350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.084350 (E_RNA) where: Base-Base interactions energy: -1004.516 where: short stacking energy: -423.702 Base-Backbone interact. energy: -2.147 local terms energy: -497.422092 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -110.900 flat angles C4'-P-C4' energy: -118.131 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -77.922 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: 371 Temperature: 1.300000 Total energy: -1372.141328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.141328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.141328 (E_RNA) where: Base-Base interactions energy: -844.996 where: short stacking energy: -403.221 Base-Backbone interact. energy: -2.227 local terms energy: -524.918124 where: bonds (distance) C4'-P energy: -115.344 bonds (distance) P-C4' energy: -118.646 flat angles C4'-P-C4' energy: -142.015 flat angles P-C4'-P energy: -73.446 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: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1062.671667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.671667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.671667 (E_RNA) where: Base-Base interactions energy: -626.040 where: short stacking energy: -270.844 Base-Backbone interact. energy: 3.066 local terms energy: -439.697845 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -120.107 flat angles C4'-P-C4' energy: -122.277 flat angles P-C4'-P energy: -70.475 tors. eta vs tors. theta energy: -21.052 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: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2780.697197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.697197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.697197 (E_RNA) where: Base-Base interactions energy: -1944.014 where: short stacking energy: -836.498 Base-Backbone interact. energy: -1.453 local terms energy: -835.230068 where: bonds (distance) C4'-P energy: -144.135 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -174.722 flat angles P-C4'-P energy: -109.863 tors. eta vs tors. theta energy: -251.165 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: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2632.249399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.249399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.249399 (E_RNA) where: Base-Base interactions energy: -1841.113 where: short stacking energy: -777.073 Base-Backbone interact. energy: -2.215 local terms energy: -788.921358 where: bonds (distance) C4'-P energy: -146.948 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -168.477 flat angles P-C4'-P energy: -113.587 tors. eta vs tors. theta energy: -220.103 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: 372 Temperature: 1.000000 Total energy: -2568.233723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.233723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.233723 (E_RNA) where: Base-Base interactions energy: -1833.573 where: short stacking energy: -740.161 Base-Backbone interact. energy: -3.317 local terms energy: -731.343356 where: bonds (distance) C4'-P energy: -125.885 bonds (distance) P-C4' energy: -131.872 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -110.165 tors. eta vs tors. theta energy: -200.886 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: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2337.945366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.945366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.945366 (E_RNA) where: Base-Base interactions energy: -1607.181 where: short stacking energy: -702.782 Base-Backbone interact. energy: -3.708 local terms energy: -727.055958 where: bonds (distance) C4'-P energy: -134.154 bonds (distance) P-C4' energy: -115.792 flat angles C4'-P-C4' energy: -154.159 flat angles P-C4'-P energy: -124.972 tors. eta vs tors. theta energy: -197.980 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: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2115.107380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.107380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.107380 (E_RNA) where: Base-Base interactions energy: -1430.533 where: short stacking energy: -642.071 Base-Backbone interact. energy: -1.233 local terms energy: -683.340876 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -130.804 flat angles C4'-P-C4' energy: -141.886 flat angles P-C4'-P energy: -92.683 tors. eta vs tors. theta energy: -189.569 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: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1950.792849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.792849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.792849 (E_RNA) where: Base-Base interactions energy: -1333.921 where: short stacking energy: -551.048 Base-Backbone interact. energy: -4.462 local terms energy: -612.410540 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -132.619 flat angles C4'-P-C4' energy: -144.564 flat angles P-C4'-P energy: -87.858 tors. eta vs tors. theta energy: -135.713 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: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1868.340649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.340649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.340649 (E_RNA) where: Base-Base interactions energy: -1256.599 where: short stacking energy: -557.430 Base-Backbone interact. energy: -0.374 local terms energy: -611.367702 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -133.652 flat angles C4'-P-C4' energy: -132.355 flat angles P-C4'-P energy: -75.824 tors. eta vs tors. theta energy: -136.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1570.475236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.475236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.475236 (E_RNA) where: Base-Base interactions energy: -1004.624 where: short stacking energy: -436.110 Base-Backbone interact. energy: -1.962 local terms energy: -563.889263 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -135.429 flat angles P-C4'-P energy: -77.372 tors. eta vs tors. theta energy: -87.864 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: 372 Temperature: 1.300000 Total energy: -1332.176310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.176310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.176310 (E_RNA) where: Base-Base interactions energy: -842.862 where: short stacking energy: -383.762 Base-Backbone interact. energy: 4.424 local terms energy: -493.738258 where: bonds (distance) C4'-P energy: -120.745 bonds (distance) P-C4' energy: -109.967 flat angles C4'-P-C4' energy: -117.893 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -62.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1116.994104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.994104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.994104 (E_RNA) where: Base-Base interactions energy: -662.907 where: short stacking energy: -307.677 Base-Backbone interact. energy: -2.592 local terms energy: -451.495046 where: bonds (distance) C4'-P energy: -101.838 bonds (distance) P-C4' energy: -133.489 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -37.779 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: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2820.668844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.668844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.668844 (E_RNA) where: Base-Base interactions energy: -1979.557 where: short stacking energy: -831.884 Base-Backbone interact. energy: -2.390 local terms energy: -838.721991 where: bonds (distance) C4'-P energy: -148.782 bonds (distance) P-C4' energy: -146.160 flat angles C4'-P-C4' energy: -168.052 flat angles P-C4'-P energy: -128.924 tors. eta vs tors. theta energy: -246.804 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: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2615.682033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.682033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.682033 (E_RNA) where: Base-Base interactions energy: -1845.616 where: short stacking energy: -784.885 Base-Backbone interact. energy: -2.304 local terms energy: -767.761953 where: bonds (distance) C4'-P energy: -133.099 bonds (distance) P-C4' energy: -137.890 flat angles C4'-P-C4' energy: -161.732 flat angles P-C4'-P energy: -103.387 tors. eta vs tors. theta energy: -231.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2562.345783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.345783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.345783 (E_RNA) where: Base-Base interactions energy: -1810.565 where: short stacking energy: -749.603 Base-Backbone interact. energy: -0.476 local terms energy: -751.305023 where: bonds (distance) C4'-P energy: -135.989 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -176.668 flat angles P-C4'-P energy: -92.468 tors. eta vs tors. theta energy: -202.441 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: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2351.621047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.621047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.621047 (E_RNA) where: Base-Base interactions energy: -1594.809 where: short stacking energy: -692.555 Base-Backbone interact. energy: -1.670 local terms energy: -755.142026 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -168.899 flat angles P-C4'-P energy: -116.108 tors. eta vs tors. theta energy: -209.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2113.856215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.856215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.856215 (E_RNA) where: Base-Base interactions energy: -1407.794 where: short stacking energy: -616.929 Base-Backbone interact. energy: 1.204 local terms energy: -707.266906 where: bonds (distance) C4'-P energy: -124.255 bonds (distance) P-C4' energy: -145.312 flat angles C4'-P-C4' energy: -162.620 flat angles P-C4'-P energy: -95.568 tors. eta vs tors. theta energy: -179.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1932.433678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.433678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.433678 (E_RNA) where: Base-Base interactions energy: -1331.629 where: short stacking energy: -561.056 Base-Backbone interact. energy: 0.226 local terms energy: -601.030384 where: bonds (distance) C4'-P energy: -111.484 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -144.214 flat angles P-C4'-P energy: -93.510 tors. eta vs tors. theta energy: -119.603 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: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1901.254263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.254263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.254263 (E_RNA) where: Base-Base interactions energy: -1302.056 where: short stacking energy: -535.148 Base-Backbone interact. energy: -0.473 local terms energy: -598.725191 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -127.898 flat angles C4'-P-C4' energy: -147.384 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -120.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1545.433212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.433212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.433212 (E_RNA) where: Base-Base interactions energy: -1038.030 where: short stacking energy: -440.071 Base-Backbone interact. energy: -4.096 local terms energy: -503.306973 where: bonds (distance) C4'-P energy: -115.518 bonds (distance) P-C4' energy: -114.832 flat angles C4'-P-C4' energy: -126.457 flat angles P-C4'-P energy: -73.303 tors. eta vs tors. theta energy: -73.197 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: 373 Temperature: 1.300000 Total energy: -1359.535240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.535240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.535240 (E_RNA) where: Base-Base interactions energy: -846.440 where: short stacking energy: -377.095 Base-Backbone interact. energy: -3.448 local terms energy: -509.648019 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -118.696 flat angles C4'-P-C4' energy: -122.213 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -71.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1126.374647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.374647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.374647 (E_RNA) where: Base-Base interactions energy: -645.333 where: short stacking energy: -297.968 Base-Backbone interact. energy: -4.851 local terms energy: -476.190230 where: bonds (distance) C4'-P energy: -106.111 bonds (distance) P-C4' energy: -119.234 flat angles C4'-P-C4' energy: -129.495 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -32.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2788.204769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.204769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.204769 (E_RNA) where: Base-Base interactions energy: -1945.024 where: short stacking energy: -793.163 Base-Backbone interact. energy: -3.050 local terms energy: -840.130763 where: bonds (distance) C4'-P energy: -150.731 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -170.699 flat angles P-C4'-P energy: -123.373 tors. eta vs tors. theta energy: -238.329 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2620.865118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.865118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.865118 (E_RNA) where: Base-Base interactions energy: -1835.925 where: short stacking energy: -783.106 Base-Backbone interact. energy: -0.855 local terms energy: -784.084937 where: bonds (distance) C4'-P energy: -146.094 bonds (distance) P-C4' energy: -139.319 flat angles C4'-P-C4' energy: -168.797 flat angles P-C4'-P energy: -103.458 tors. eta vs tors. theta energy: -226.418 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2551.420963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.420963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.420963 (E_RNA) where: Base-Base interactions energy: -1786.721 where: short stacking energy: -740.243 Base-Backbone interact. energy: -4.471 local terms energy: -760.229134 where: bonds (distance) C4'-P energy: -146.225 bonds (distance) P-C4' energy: -133.669 flat angles C4'-P-C4' energy: -161.302 flat angles P-C4'-P energy: -117.402 tors. eta vs tors. theta energy: -201.632 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: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2366.937143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.937143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.937143 (E_RNA) where: Base-Base interactions energy: -1611.142 where: short stacking energy: -692.698 Base-Backbone interact. energy: 0.664 local terms energy: -756.459347 where: bonds (distance) C4'-P energy: -136.584 bonds (distance) P-C4' energy: -148.043 flat angles C4'-P-C4' energy: -158.178 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -205.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2107.523140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.523140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.523140 (E_RNA) where: Base-Base interactions energy: -1421.053 where: short stacking energy: -645.371 Base-Backbone interact. energy: 0.729 local terms energy: -687.199744 where: bonds (distance) C4'-P energy: -141.297 bonds (distance) P-C4' energy: -119.424 flat angles C4'-P-C4' energy: -143.253 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -174.373 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: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1937.984055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.984055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.984055 (E_RNA) where: Base-Base interactions energy: -1283.116 where: short stacking energy: -554.564 Base-Backbone interact. energy: 1.029 local terms energy: -655.897570 where: bonds (distance) C4'-P energy: -127.285 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -152.759 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -149.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1825.725656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.725656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.725656 (E_RNA) where: Base-Base interactions energy: -1233.652 where: short stacking energy: -543.968 Base-Backbone interact. energy: -6.554 local terms energy: -585.519543 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -136.910 flat angles P-C4'-P energy: -86.089 tors. eta vs tors. theta energy: -133.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1536.818362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.818362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.818362 (E_RNA) where: Base-Base interactions energy: -1029.282 where: short stacking energy: -435.750 Base-Backbone interact. energy: -3.314 local terms energy: -504.222405 where: bonds (distance) C4'-P energy: -107.912 bonds (distance) P-C4' energy: -119.545 flat angles C4'-P-C4' energy: -141.439 flat angles P-C4'-P energy: -57.076 tors. eta vs tors. theta energy: -78.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1367.581753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.581753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.581753 (E_RNA) where: Base-Base interactions energy: -889.902 where: short stacking energy: -420.699 Base-Backbone interact. energy: 2.623 local terms energy: -480.302898 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -77.764 tors. eta vs tors. theta energy: -73.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1140.367718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.367718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.367718 (E_RNA) where: Base-Base interactions energy: -707.841 where: short stacking energy: -321.475 Base-Backbone interact. energy: -0.235 local terms energy: -432.291120 where: bonds (distance) C4'-P energy: -110.413 bonds (distance) P-C4' energy: -109.041 flat angles C4'-P-C4' energy: -127.319 flat angles P-C4'-P energy: -58.229 tors. eta vs tors. theta energy: -27.289 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: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2783.896686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.896686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.896686 (E_RNA) where: Base-Base interactions energy: -1976.386 where: short stacking energy: -815.812 Base-Backbone interact. energy: -2.794 local terms energy: -804.716555 where: bonds (distance) C4'-P energy: -137.113 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -174.899 flat angles P-C4'-P energy: -109.611 tors. eta vs tors. theta energy: -240.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2632.621550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.621550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.621550 (E_RNA) where: Base-Base interactions energy: -1855.160 where: short stacking energy: -755.168 Base-Backbone interact. energy: -1.147 local terms energy: -776.314268 where: bonds (distance) C4'-P energy: -148.260 bonds (distance) P-C4' energy: -139.614 flat angles C4'-P-C4' energy: -157.544 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -227.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2591.673087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.673087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.673087 (E_RNA) where: Base-Base interactions energy: -1853.337 where: short stacking energy: -766.365 Base-Backbone interact. energy: 0.479 local terms energy: -738.814930 where: bonds (distance) C4'-P energy: -121.693 bonds (distance) P-C4' energy: -133.905 flat angles C4'-P-C4' energy: -161.254 flat angles P-C4'-P energy: -112.794 tors. eta vs tors. theta energy: -209.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2332.400807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.400807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.400807 (E_RNA) where: Base-Base interactions energy: -1576.940 where: short stacking energy: -662.008 Base-Backbone interact. energy: -1.696 local terms energy: -753.764654 where: bonds (distance) C4'-P energy: -145.323 bonds (distance) P-C4' energy: -146.940 flat angles C4'-P-C4' energy: -157.689 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -193.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2083.689827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.689827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.689827 (E_RNA) where: Base-Base interactions energy: -1390.997 where: short stacking energy: -627.416 Base-Backbone interact. energy: -1.990 local terms energy: -690.703138 where: bonds (distance) C4'-P energy: -142.051 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -141.235 flat angles P-C4'-P energy: -86.610 tors. eta vs tors. theta energy: -176.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2025.256755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.256755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.256755 (E_RNA) where: Base-Base interactions energy: -1388.868 where: short stacking energy: -585.535 Base-Backbone interact. energy: -2.510 local terms energy: -633.878233 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -71.756 tors. eta vs tors. theta energy: -149.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1809.568074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.568074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.568074 (E_RNA) where: Base-Base interactions energy: -1221.476 where: short stacking energy: -505.191 Base-Backbone interact. energy: 3.549 local terms energy: -591.641893 where: bonds (distance) C4'-P energy: -131.131 bonds (distance) P-C4' energy: -117.504 flat angles C4'-P-C4' energy: -125.313 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -137.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1579.535755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.535755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.535755 (E_RNA) where: Base-Base interactions energy: -1029.727 where: short stacking energy: -458.306 Base-Backbone interact. energy: -5.543 local terms energy: -544.266307 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -120.472 flat angles C4'-P-C4' energy: -126.223 flat angles P-C4'-P energy: -74.989 tors. eta vs tors. theta energy: -106.827 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: 375 Temperature: 1.300000 Total energy: -1424.573437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.573437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.573437 (E_RNA) where: Base-Base interactions energy: -916.950 where: short stacking energy: -423.630 Base-Backbone interact. energy: 0.537 local terms energy: -508.161331 where: bonds (distance) C4'-P energy: -94.775 bonds (distance) P-C4' energy: -137.924 flat angles C4'-P-C4' energy: -117.711 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: -84.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1043.488247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.488247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.488247 (E_RNA) where: Base-Base interactions energy: -593.581 where: short stacking energy: -277.851 Base-Backbone interact. energy: -3.616 local terms energy: -446.291732 where: bonds (distance) C4'-P energy: -119.950 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -89.940 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -28.743 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: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2774.189418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.189418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.189418 (E_RNA) where: Base-Base interactions energy: -1937.923 where: short stacking energy: -801.816 Base-Backbone interact. energy: -4.000 local terms energy: -832.266233 where: bonds (distance) C4'-P energy: -145.412 bonds (distance) P-C4' energy: -160.310 flat angles C4'-P-C4' energy: -160.645 flat angles P-C4'-P energy: -127.620 tors. eta vs tors. theta energy: -238.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2616.025273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.025273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.025273 (E_RNA) where: Base-Base interactions energy: -1843.279 where: short stacking energy: -761.611 Base-Backbone interact. energy: -1.898 local terms energy: -770.848664 where: bonds (distance) C4'-P energy: -139.307 bonds (distance) P-C4' energy: -131.044 flat angles C4'-P-C4' energy: -163.104 flat angles P-C4'-P energy: -106.670 tors. eta vs tors. theta energy: -230.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2559.032884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.032884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.032884 (E_RNA) where: Base-Base interactions energy: -1835.543 where: short stacking energy: -733.313 Base-Backbone interact. energy: -3.871 local terms energy: -719.619056 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -161.697 flat angles P-C4'-P energy: -94.345 tors. eta vs tors. theta energy: -201.048 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: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2303.532447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.532447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.532447 (E_RNA) where: Base-Base interactions energy: -1590.176 where: short stacking energy: -710.293 Base-Backbone interact. energy: -1.585 local terms energy: -711.771103 where: bonds (distance) C4'-P energy: -134.424 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -157.839 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -211.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2145.870802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.870802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.870802 (E_RNA) where: Base-Base interactions energy: -1442.235 where: short stacking energy: -633.693 Base-Backbone interact. energy: 1.909 local terms energy: -705.545240 where: bonds (distance) C4'-P energy: -139.064 bonds (distance) P-C4' energy: -133.724 flat angles C4'-P-C4' energy: -149.329 flat angles P-C4'-P energy: -99.417 tors. eta vs tors. theta energy: -184.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2035.872261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.872261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.872261 (E_RNA) where: Base-Base interactions energy: -1404.019 where: short stacking energy: -598.910 Base-Backbone interact. energy: 0.321 local terms energy: -632.174564 where: bonds (distance) C4'-P energy: -123.577 bonds (distance) P-C4' energy: -132.033 flat angles C4'-P-C4' energy: -136.787 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -152.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1840.779333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.779333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.779333 (E_RNA) where: Base-Base interactions energy: -1225.058 where: short stacking energy: -531.350 Base-Backbone interact. energy: -4.943 local terms energy: -610.778156 where: bonds (distance) C4'-P energy: -123.597 bonds (distance) P-C4' energy: -137.521 flat angles C4'-P-C4' energy: -122.618 flat angles P-C4'-P energy: -86.438 tors. eta vs tors. theta energy: -140.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1470.172987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.172987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.172987 (E_RNA) where: Base-Base interactions energy: -944.255 where: short stacking energy: -409.187 Base-Backbone interact. energy: -1.768 local terms energy: -524.149678 where: bonds (distance) C4'-P energy: -102.111 bonds (distance) P-C4' energy: -131.573 flat angles C4'-P-C4' energy: -140.017 flat angles P-C4'-P energy: -74.092 tors. eta vs tors. theta energy: -76.357 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: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1417.409605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.409605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.409605 (E_RNA) where: Base-Base interactions energy: -919.643 where: short stacking energy: -411.080 Base-Backbone interact. energy: 3.260 local terms energy: -501.026691 where: bonds (distance) C4'-P energy: -105.019 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -129.647 flat angles P-C4'-P energy: -67.237 tors. eta vs tors. theta energy: -81.890 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: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1034.924278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.924278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.924278 (E_RNA) where: Base-Base interactions energy: -643.725 where: short stacking energy: -324.576 Base-Backbone interact. energy: 0.249 local terms energy: -391.448640 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -87.850 flat angles C4'-P-C4' energy: -102.482 flat angles P-C4'-P energy: -61.130 tors. eta vs tors. theta energy: -19.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2774.747326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.747326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.747326 (E_RNA) where: Base-Base interactions energy: -1948.183 where: short stacking energy: -818.760 Base-Backbone interact. energy: -4.813 local terms energy: -821.751882 where: bonds (distance) C4'-P energy: -143.752 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -176.990 flat angles P-C4'-P energy: -117.575 tors. eta vs tors. theta energy: -240.446 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: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2639.184956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.184956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.184956 (E_RNA) where: Base-Base interactions energy: -1849.235 where: short stacking energy: -775.574 Base-Backbone interact. energy: -4.377 local terms energy: -785.572881 where: bonds (distance) C4'-P energy: -137.146 bonds (distance) P-C4' energy: -155.978 flat angles C4'-P-C4' energy: -166.871 flat angles P-C4'-P energy: -111.488 tors. eta vs tors. theta energy: -214.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2545.801717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.801717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.801717 (E_RNA) where: Base-Base interactions energy: -1738.460 where: short stacking energy: -726.879 Base-Backbone interact. energy: -4.358 local terms energy: -802.983346 where: bonds (distance) C4'-P energy: -143.338 bonds (distance) P-C4' energy: -163.839 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -99.465 tors. eta vs tors. theta energy: -218.773 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: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2321.359327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.359327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.359327 (E_RNA) where: Base-Base interactions energy: -1590.464 where: short stacking energy: -696.653 Base-Backbone interact. energy: 1.912 local terms energy: -732.807447 where: bonds (distance) C4'-P energy: -142.768 bonds (distance) P-C4' energy: -132.091 flat angles C4'-P-C4' energy: -164.416 flat angles P-C4'-P energy: -107.327 tors. eta vs tors. theta energy: -186.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2157.259273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.259273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.259273 (E_RNA) where: Base-Base interactions energy: -1439.815 where: short stacking energy: -635.717 Base-Backbone interact. energy: -1.326 local terms energy: -716.117787 where: bonds (distance) C4'-P energy: -130.347 bonds (distance) P-C4' energy: -129.216 flat angles C4'-P-C4' energy: -160.921 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -194.470 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: 377 Temperature: 1.150000 Total energy: -2056.694657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.694657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.694657 (E_RNA) where: Base-Base interactions energy: -1425.070 where: short stacking energy: -624.300 Base-Backbone interact. energy: -3.334 local terms energy: -628.290830 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -112.305 flat angles C4'-P-C4' energy: -140.355 flat angles P-C4'-P energy: -89.853 tors. eta vs tors. theta energy: -152.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1864.191409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.191409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.191409 (E_RNA) where: Base-Base interactions energy: -1260.675 where: short stacking energy: -529.602 Base-Backbone interact. energy: -3.248 local terms energy: -600.268051 where: bonds (distance) C4'-P energy: -102.504 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -152.667 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -119.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1480.995451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.995451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.995451 (E_RNA) where: Base-Base interactions energy: -949.112 where: short stacking energy: -426.110 Base-Backbone interact. energy: 2.897 local terms energy: -534.780686 where: bonds (distance) C4'-P energy: -131.082 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -116.153 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -89.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1328.523958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.523958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.523958 (E_RNA) where: Base-Base interactions energy: -822.917 where: short stacking energy: -392.318 Base-Backbone interact. energy: 1.524 local terms energy: -507.130995 where: bonds (distance) C4'-P energy: -126.855 bonds (distance) P-C4' energy: -121.466 flat angles C4'-P-C4' energy: -109.472 flat angles P-C4'-P energy: -75.840 tors. eta vs tors. theta energy: -73.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1032.091391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.091391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.091391 (E_RNA) where: Base-Base interactions energy: -571.769 where: short stacking energy: -266.242 Base-Backbone interact. energy: -2.361 local terms energy: -457.961685 where: bonds (distance) C4'-P energy: -132.112 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -121.356 flat angles P-C4'-P energy: -79.032 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2767.887997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.887997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.887997 (E_RNA) where: Base-Base interactions energy: -1939.638 where: short stacking energy: -826.831 Base-Backbone interact. energy: -1.575 local terms energy: -826.675816 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -149.681 flat angles C4'-P-C4' energy: -173.389 flat angles P-C4'-P energy: -117.257 tors. eta vs tors. theta energy: -245.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2603.977750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.977750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.977750 (E_RNA) where: Base-Base interactions energy: -1819.009 where: short stacking energy: -741.097 Base-Backbone interact. energy: -4.640 local terms energy: -780.329083 where: bonds (distance) C4'-P energy: -138.308 bonds (distance) P-C4' energy: -144.543 flat angles C4'-P-C4' energy: -164.740 flat angles P-C4'-P energy: -117.337 tors. eta vs tors. theta energy: -215.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2533.815856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.815856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.815856 (E_RNA) where: Base-Base interactions energy: -1766.971 where: short stacking energy: -727.143 Base-Backbone interact. energy: 1.933 local terms energy: -768.778662 where: bonds (distance) C4'-P energy: -146.371 bonds (distance) P-C4' energy: -130.209 flat angles C4'-P-C4' energy: -176.687 flat angles P-C4'-P energy: -101.606 tors. eta vs tors. theta energy: -213.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2327.293181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.293181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.293181 (E_RNA) where: Base-Base interactions energy: -1590.944 where: short stacking energy: -694.372 Base-Backbone interact. energy: -1.968 local terms energy: -734.381670 where: bonds (distance) C4'-P energy: -126.489 bonds (distance) P-C4' energy: -151.244 flat angles C4'-P-C4' energy: -159.126 flat angles P-C4'-P energy: -104.098 tors. eta vs tors. theta energy: -193.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2126.620937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.620937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.620937 (E_RNA) where: Base-Base interactions energy: -1441.096 where: short stacking energy: -653.776 Base-Backbone interact. energy: -2.598 local terms energy: -682.926998 where: bonds (distance) C4'-P energy: -126.804 bonds (distance) P-C4' energy: -132.641 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -185.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2068.010362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.010362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.010362 (E_RNA) where: Base-Base interactions energy: -1432.247 where: short stacking energy: -599.267 Base-Backbone interact. energy: -1.902 local terms energy: -633.861817 where: bonds (distance) C4'-P energy: -117.809 bonds (distance) P-C4' energy: -130.481 flat angles C4'-P-C4' energy: -148.599 flat angles P-C4'-P energy: -94.333 tors. eta vs tors. theta energy: -142.640 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: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1910.067227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.067227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.067227 (E_RNA) where: Base-Base interactions energy: -1291.277 where: short stacking energy: -544.552 Base-Backbone interact. energy: -0.460 local terms energy: -618.330474 where: bonds (distance) C4'-P energy: -136.025 bonds (distance) P-C4' energy: -137.015 flat angles C4'-P-C4' energy: -137.133 flat angles P-C4'-P energy: -77.195 tors. eta vs tors. theta energy: -130.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1529.405696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.405696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.405696 (E_RNA) where: Base-Base interactions energy: -985.853 where: short stacking energy: -452.376 Base-Backbone interact. energy: -4.058 local terms energy: -539.495251 where: bonds (distance) C4'-P energy: -110.710 bonds (distance) P-C4' energy: -134.431 flat angles C4'-P-C4' energy: -124.449 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -88.133 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: 378 Temperature: 1.300000 Total energy: -1295.199224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.199224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.199224 (E_RNA) where: Base-Base interactions energy: -797.082 where: short stacking energy: -380.174 Base-Backbone interact. energy: -2.167 local terms energy: -495.950542 where: bonds (distance) C4'-P energy: -105.841 bonds (distance) P-C4' energy: -131.206 flat angles C4'-P-C4' energy: -116.340 flat angles P-C4'-P energy: -92.028 tors. eta vs tors. theta energy: -50.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1056.026094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.026094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.026094 (E_RNA) where: Base-Base interactions energy: -609.677 where: short stacking energy: -322.314 Base-Backbone interact. energy: -2.012 local terms energy: -444.337839 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -134.972 flat angles C4'-P-C4' energy: -109.925 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -37.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2804.635908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.635908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.635908 (E_RNA) where: Base-Base interactions energy: -1958.779 where: short stacking energy: -833.615 Base-Backbone interact. energy: -2.948 local terms energy: -842.908256 where: bonds (distance) C4'-P energy: -151.084 bonds (distance) P-C4' energy: -145.803 flat angles C4'-P-C4' energy: -181.289 flat angles P-C4'-P energy: -119.664 tors. eta vs tors. theta energy: -245.069 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: 379 Temperature: 0.950000 Total energy: -2579.794624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.794624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.794624 (E_RNA) where: Base-Base interactions energy: -1828.641 where: short stacking energy: -732.158 Base-Backbone interact. energy: -2.114 local terms energy: -749.039629 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -163.733 flat angles P-C4'-P energy: -105.128 tors. eta vs tors. theta energy: -200.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2499.930075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.930075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.930075 (E_RNA) where: Base-Base interactions energy: -1721.240 where: short stacking energy: -720.566 Base-Backbone interact. energy: -0.229 local terms energy: -778.461111 where: bonds (distance) C4'-P energy: -145.577 bonds (distance) P-C4' energy: -151.350 flat angles C4'-P-C4' energy: -173.761 flat angles P-C4'-P energy: -94.211 tors. eta vs tors. theta energy: -213.562 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: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2348.322518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.322518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.322518 (E_RNA) where: Base-Base interactions energy: -1607.825 where: short stacking energy: -747.212 Base-Backbone interact. energy: -0.485 local terms energy: -740.012165 where: bonds (distance) C4'-P energy: -133.968 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -159.286 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -211.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2185.205335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.205335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.205335 (E_RNA) where: Base-Base interactions energy: -1471.137 where: short stacking energy: -638.604 Base-Backbone interact. energy: 0.943 local terms energy: -715.010577 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -138.436 flat angles C4'-P-C4' energy: -155.642 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -199.741 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: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2051.607925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.607925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.607925 (E_RNA) where: Base-Base interactions energy: -1414.121 where: short stacking energy: -575.724 Base-Backbone interact. energy: -0.360 local terms energy: -637.127242 where: bonds (distance) C4'-P energy: -154.079 bonds (distance) P-C4' energy: -122.751 flat angles C4'-P-C4' energy: -123.786 flat angles P-C4'-P energy: -99.373 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: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1920.176497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.176497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.176497 (E_RNA) where: Base-Base interactions energy: -1315.081 where: short stacking energy: -565.744 Base-Backbone interact. energy: -6.208 local terms energy: -598.887521 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -120.144 flat angles C4'-P-C4' energy: -136.052 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -136.020 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: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1450.640504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.640504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.640504 (E_RNA) where: Base-Base interactions energy: -910.265 where: short stacking energy: -393.442 Base-Backbone interact. energy: -0.962 local terms energy: -539.413948 where: bonds (distance) C4'-P energy: -121.443 bonds (distance) P-C4' energy: -140.767 flat angles C4'-P-C4' energy: -131.833 flat angles P-C4'-P energy: -79.328 tors. eta vs tors. theta energy: -66.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1323.630245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.630245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.630245 (E_RNA) where: Base-Base interactions energy: -801.067 where: short stacking energy: -382.021 Base-Backbone interact. energy: -0.969 local terms energy: -521.594242 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -106.381 flat angles C4'-P-C4' energy: -139.148 flat angles P-C4'-P energy: -88.990 tors. eta vs tors. theta energy: -61.253 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: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1000.680772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.680772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.680772 (E_RNA) where: Base-Base interactions energy: -559.108 where: short stacking energy: -264.000 Base-Backbone interact. energy: -0.672 local terms energy: -440.900800 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -127.050 flat angles C4'-P-C4' energy: -97.412 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: -44.749 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: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2798.181911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.181911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.181911 (E_RNA) where: Base-Base interactions energy: -1967.170 where: short stacking energy: -799.497 Base-Backbone interact. energy: -2.509 local terms energy: -828.503655 where: bonds (distance) C4'-P energy: -151.101 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -164.535 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -246.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2569.568168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.568168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.568168 (E_RNA) where: Base-Base interactions energy: -1792.451 where: short stacking energy: -731.302 Base-Backbone interact. energy: -0.723 local terms energy: -776.394771 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -148.666 flat angles C4'-P-C4' energy: -156.911 flat angles P-C4'-P energy: -115.384 tors. eta vs tors. theta energy: -198.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2516.539046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.539046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.539046 (E_RNA) where: Base-Base interactions energy: -1755.542 where: short stacking energy: -706.027 Base-Backbone interact. energy: -2.274 local terms energy: -758.722321 where: bonds (distance) C4'-P energy: -138.259 bonds (distance) P-C4' energy: -151.446 flat angles C4'-P-C4' energy: -159.796 flat angles P-C4'-P energy: -97.627 tors. eta vs tors. theta energy: -211.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2298.776250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.776250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.776250 (E_RNA) where: Base-Base interactions energy: -1577.265 where: short stacking energy: -664.508 Base-Backbone interact. energy: -0.120 local terms energy: -721.390561 where: bonds (distance) C4'-P energy: -131.809 bonds (distance) P-C4' energy: -143.521 flat angles C4'-P-C4' energy: -163.295 flat angles P-C4'-P energy: -101.701 tors. eta vs tors. theta energy: -181.065 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: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2154.823785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.823785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.823785 (E_RNA) where: Base-Base interactions energy: -1435.892 where: short stacking energy: -642.369 Base-Backbone interact. energy: -0.534 local terms energy: -718.397166 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -145.651 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -203.709 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: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2031.184803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.184803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.184803 (E_RNA) where: Base-Base interactions energy: -1388.416 where: short stacking energy: -591.840 Base-Backbone interact. energy: -0.918 local terms energy: -641.851209 where: bonds (distance) C4'-P energy: -115.485 bonds (distance) P-C4' energy: -135.749 flat angles C4'-P-C4' energy: -139.320 flat angles P-C4'-P energy: -94.151 tors. eta vs tors. theta energy: -157.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1928.682859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.682859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.682859 (E_RNA) where: Base-Base interactions energy: -1308.238 where: short stacking energy: -551.403 Base-Backbone interact. energy: -1.527 local terms energy: -618.917647 where: bonds (distance) C4'-P energy: -128.473 bonds (distance) P-C4' energy: -119.643 flat angles C4'-P-C4' energy: -131.516 flat angles P-C4'-P energy: -87.816 tors. eta vs tors. theta energy: -151.469 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: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1429.603006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.603006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.603006 (E_RNA) where: Base-Base interactions energy: -913.473 where: short stacking energy: -398.640 Base-Backbone interact. energy: 5.156 local terms energy: -521.286131 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -129.901 flat angles C4'-P-C4' energy: -132.147 flat angles P-C4'-P energy: -63.738 tors. eta vs tors. theta energy: -77.300 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: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1279.904424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.904424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.904424 (E_RNA) where: Base-Base interactions energy: -822.544 where: short stacking energy: -370.916 Base-Backbone interact. energy: -2.470 local terms energy: -454.890102 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -59.052 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: 380 Temperature: 1.350000 Total energy: -1064.460864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.460864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.460864 (E_RNA) where: Base-Base interactions energy: -609.089 where: short stacking energy: -302.260 Base-Backbone interact. energy: -3.320 local terms energy: -452.051363 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -121.224 flat angles C4'-P-C4' energy: -115.812 flat angles P-C4'-P energy: -84.266 tors. eta vs tors. theta energy: -32.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2770.447425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.447425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.447425 (E_RNA) where: Base-Base interactions energy: -1946.399 where: short stacking energy: -824.132 Base-Backbone interact. energy: -1.884 local terms energy: -822.164571 where: bonds (distance) C4'-P energy: -130.180 bonds (distance) P-C4' energy: -162.072 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -119.710 tors. eta vs tors. theta energy: -241.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2573.346191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.346191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.346191 (E_RNA) where: Base-Base interactions energy: -1833.250 where: short stacking energy: -735.903 Base-Backbone interact. energy: -1.474 local terms energy: -738.622669 where: bonds (distance) C4'-P energy: -136.424 bonds (distance) P-C4' energy: -133.579 flat angles C4'-P-C4' energy: -172.494 flat angles P-C4'-P energy: -94.441 tors. eta vs tors. theta energy: -201.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2520.626909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.626909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.626909 (E_RNA) where: Base-Base interactions energy: -1750.236 where: short stacking energy: -733.549 Base-Backbone interact. energy: -1.979 local terms energy: -768.411958 where: bonds (distance) C4'-P energy: -145.954 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -164.063 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -217.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2281.126867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.126867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.126867 (E_RNA) where: Base-Base interactions energy: -1562.842 where: short stacking energy: -664.291 Base-Backbone interact. energy: -2.771 local terms energy: -715.513998 where: bonds (distance) C4'-P energy: -132.979 bonds (distance) P-C4' energy: -148.460 flat angles C4'-P-C4' energy: -150.406 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -190.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2136.746543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.746543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.746543 (E_RNA) where: Base-Base interactions energy: -1445.447 where: short stacking energy: -650.700 Base-Backbone interact. energy: -2.385 local terms energy: -688.914313 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -139.049 flat angles C4'-P-C4' energy: -150.929 flat angles P-C4'-P energy: -94.206 tors. eta vs tors. theta energy: -187.569 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: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2004.629387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.629387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.629387 (E_RNA) where: Base-Base interactions energy: -1368.552 where: short stacking energy: -591.597 Base-Backbone interact. energy: -1.368 local terms energy: -634.709523 where: bonds (distance) C4'-P energy: -130.221 bonds (distance) P-C4' energy: -130.218 flat angles C4'-P-C4' energy: -148.932 flat angles P-C4'-P energy: -81.845 tors. eta vs tors. theta energy: -143.494 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: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1869.897422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.897422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.897422 (E_RNA) where: Base-Base interactions energy: -1235.723 where: short stacking energy: -513.204 Base-Backbone interact. energy: -3.400 local terms energy: -630.774063 where: bonds (distance) C4'-P energy: -137.288 bonds (distance) P-C4' energy: -125.091 flat angles C4'-P-C4' energy: -143.117 flat angles P-C4'-P energy: -88.344 tors. eta vs tors. theta energy: -136.934 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: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1431.574020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.574020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.574020 (E_RNA) where: Base-Base interactions energy: -924.452 where: short stacking energy: -417.206 Base-Backbone interact. energy: 3.481 local terms energy: -510.602827 where: bonds (distance) C4'-P energy: -119.034 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -123.033 flat angles P-C4'-P energy: -72.293 tors. eta vs tors. theta energy: -75.853 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: 381 Temperature: 1.300000 Total energy: -1368.180793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.180793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.180793 (E_RNA) where: Base-Base interactions energy: -854.550 where: short stacking energy: -400.955 Base-Backbone interact. energy: -2.059 local terms energy: -511.572231 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -125.377 flat angles C4'-P-C4' energy: -123.862 flat angles P-C4'-P energy: -67.098 tors. eta vs tors. theta energy: -76.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1025.083734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.083734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.083734 (E_RNA) where: Base-Base interactions energy: -597.174 where: short stacking energy: -288.518 Base-Backbone interact. energy: -1.796 local terms energy: -426.113578 where: bonds (distance) C4'-P energy: -109.400 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -126.386 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -10.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2750.365728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.365728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.365728 (E_RNA) where: Base-Base interactions energy: -1918.126 where: short stacking energy: -816.733 Base-Backbone interact. energy: -4.201 local terms energy: -828.037833 where: bonds (distance) C4'-P energy: -149.858 bonds (distance) P-C4' energy: -145.453 flat angles C4'-P-C4' energy: -171.186 flat angles P-C4'-P energy: -119.005 tors. eta vs tors. theta energy: -242.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2605.831867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.831867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.831867 (E_RNA) where: Base-Base interactions energy: -1817.800 where: short stacking energy: -765.349 Base-Backbone interact. energy: -2.300 local terms energy: -785.731890 where: bonds (distance) C4'-P energy: -152.432 bonds (distance) P-C4' energy: -135.357 flat angles C4'-P-C4' energy: -168.100 flat angles P-C4'-P energy: -114.366 tors. eta vs tors. theta energy: -215.478 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: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2518.980703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.980703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.980703 (E_RNA) where: Base-Base interactions energy: -1733.416 where: short stacking energy: -706.641 Base-Backbone interact. energy: -0.437 local terms energy: -785.127784 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -138.787 flat angles C4'-P-C4' energy: -177.787 flat angles P-C4'-P energy: -118.234 tors. eta vs tors. theta energy: -210.474 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: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2309.410676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.410676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.410676 (E_RNA) where: Base-Base interactions energy: -1561.995 where: short stacking energy: -698.001 Base-Backbone interact. energy: -3.618 local terms energy: -743.797545 where: bonds (distance) C4'-P energy: -129.799 bonds (distance) P-C4' energy: -148.090 flat angles C4'-P-C4' energy: -156.924 flat angles P-C4'-P energy: -108.521 tors. eta vs tors. theta energy: -200.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2157.378383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.378383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.378383 (E_RNA) where: Base-Base interactions energy: -1418.462 where: short stacking energy: -654.773 Base-Backbone interact. energy: -2.467 local terms energy: -736.449524 where: bonds (distance) C4'-P energy: -135.069 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -169.992 flat angles P-C4'-P energy: -100.952 tors. eta vs tors. theta energy: -195.649 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: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2015.601776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.601776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.601776 (E_RNA) where: Base-Base interactions energy: -1421.962 where: short stacking energy: -599.649 Base-Backbone interact. energy: 3.004 local terms energy: -596.643229 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -135.061 flat angles P-C4'-P energy: -99.031 tors. eta vs tors. theta energy: -133.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1806.092260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.092260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.092260 (E_RNA) where: Base-Base interactions energy: -1193.842 where: short stacking energy: -517.047 Base-Backbone interact. energy: -2.842 local terms energy: -609.408490 where: bonds (distance) C4'-P energy: -118.478 bonds (distance) P-C4' energy: -153.560 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -115.458 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1471.235600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.235600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.235600 (E_RNA) where: Base-Base interactions energy: -967.166 where: short stacking energy: -415.761 Base-Backbone interact. energy: 1.408 local terms energy: -505.477871 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -121.414 flat angles C4'-P-C4' energy: -124.973 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: -67.832 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: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1359.316922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.316922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.316922 (E_RNA) where: Base-Base interactions energy: -901.892 where: short stacking energy: -414.695 Base-Backbone interact. energy: -4.752 local terms energy: -452.673601 where: bonds (distance) C4'-P energy: -107.421 bonds (distance) P-C4' energy: -99.780 flat angles C4'-P-C4' energy: -114.666 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -78.284 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: 382 Temperature: 1.350000 Total energy: -1038.356889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.356889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.356889 (E_RNA) where: Base-Base interactions energy: -621.322 where: short stacking energy: -291.580 Base-Backbone interact. energy: 1.484 local terms energy: -418.518795 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -112.900 flat angles C4'-P-C4' energy: -103.532 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -42.084 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: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2779.301048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.301048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.301048 (E_RNA) where: Base-Base interactions energy: -1968.617 where: short stacking energy: -817.915 Base-Backbone interact. energy: 1.578 local terms energy: -812.261949 where: bonds (distance) C4'-P energy: -153.148 bonds (distance) P-C4' energy: -145.572 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -106.375 tors. eta vs tors. theta energy: -236.511 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: 383 Temperature: 0.950000 Total energy: -2609.487689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.487689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.487689 (E_RNA) where: Base-Base interactions energy: -1844.427 where: short stacking energy: -762.006 Base-Backbone interact. energy: -4.220 local terms energy: -760.840478 where: bonds (distance) C4'-P energy: -125.775 bonds (distance) P-C4' energy: -145.539 flat angles C4'-P-C4' energy: -167.057 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -213.330 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: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2512.984621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.984621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.984621 (E_RNA) where: Base-Base interactions energy: -1769.672 where: short stacking energy: -697.490 Base-Backbone interact. energy: -2.459 local terms energy: -740.853988 where: bonds (distance) C4'-P energy: -130.790 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -161.471 flat angles P-C4'-P energy: -109.019 tors. eta vs tors. theta energy: -200.789 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: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2274.671697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.671697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.671697 (E_RNA) where: Base-Base interactions energy: -1561.720 where: short stacking energy: -677.505 Base-Backbone interact. energy: -1.764 local terms energy: -711.187880 where: bonds (distance) C4'-P energy: -149.368 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -154.525 flat angles P-C4'-P energy: -98.367 tors. eta vs tors. theta energy: -179.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2116.694914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.694914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.694914 (E_RNA) where: Base-Base interactions energy: -1417.492 where: short stacking energy: -660.864 Base-Backbone interact. energy: -1.461 local terms energy: -697.741827 where: bonds (distance) C4'-P energy: -135.642 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -159.123 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -188.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1973.571771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.571771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.571771 (E_RNA) where: Base-Base interactions energy: -1327.132 where: short stacking energy: -589.172 Base-Backbone interact. energy: -2.151 local terms energy: -644.289096 where: bonds (distance) C4'-P energy: -129.650 bonds (distance) P-C4' energy: -146.994 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -80.294 tors. eta vs tors. theta energy: -146.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1975.829190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.829190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.829190 (E_RNA) where: Base-Base interactions energy: -1386.186 where: short stacking energy: -588.491 Base-Backbone interact. energy: 0.515 local terms energy: -590.158375 where: bonds (distance) C4'-P energy: -112.408 bonds (distance) P-C4' energy: -125.327 flat angles C4'-P-C4' energy: -137.103 flat angles P-C4'-P energy: -75.591 tors. eta vs tors. theta energy: -139.730 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: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1501.197311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.197311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.197311 (E_RNA) where: Base-Base interactions energy: -979.775 where: short stacking energy: -429.029 Base-Backbone interact. energy: -2.748 local terms energy: -518.673539 where: bonds (distance) C4'-P energy: -100.389 bonds (distance) P-C4' energy: -124.285 flat angles C4'-P-C4' energy: -141.599 flat angles P-C4'-P energy: -69.296 tors. eta vs tors. theta energy: -83.104 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: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1352.156641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.156641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.156641 (E_RNA) where: Base-Base interactions energy: -838.169 where: short stacking energy: -382.056 Base-Backbone interact. energy: -1.205 local terms energy: -512.782755 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -105.048 flat angles P-C4'-P energy: -62.706 tors. eta vs tors. theta energy: -80.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1012.659657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.659657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.659657 (E_RNA) where: Base-Base interactions energy: -594.090 where: short stacking energy: -283.603 Base-Backbone interact. energy: -2.082 local terms energy: -416.488154 where: bonds (distance) C4'-P energy: -98.384 bonds (distance) P-C4' energy: -145.042 flat angles C4'-P-C4' energy: -117.294 flat angles P-C4'-P energy: -59.397 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: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2763.490023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.490023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.490023 (E_RNA) where: Base-Base interactions energy: -1923.996 where: short stacking energy: -819.073 Base-Backbone interact. energy: -2.436 local terms energy: -837.058442 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -156.269 flat angles C4'-P-C4' energy: -170.167 flat angles P-C4'-P energy: -127.556 tors. eta vs tors. theta energy: -239.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2580.300812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.300812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.300812 (E_RNA) where: Base-Base interactions energy: -1805.962 where: short stacking energy: -728.711 Base-Backbone interact. energy: -4.965 local terms energy: -769.374042 where: bonds (distance) C4'-P energy: -148.634 bonds (distance) P-C4' energy: -138.825 flat angles C4'-P-C4' energy: -165.305 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -213.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2508.990545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.990545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.990545 (E_RNA) where: Base-Base interactions energy: -1767.943 where: short stacking energy: -707.965 Base-Backbone interact. energy: -1.877 local terms energy: -739.170999 where: bonds (distance) C4'-P energy: -130.266 bonds (distance) P-C4' energy: -141.537 flat angles C4'-P-C4' energy: -159.889 flat angles P-C4'-P energy: -112.421 tors. eta vs tors. theta energy: -195.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2328.330626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.330626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.330626 (E_RNA) where: Base-Base interactions energy: -1595.527 where: short stacking energy: -689.489 Base-Backbone interact. energy: -3.045 local terms energy: -729.759079 where: bonds (distance) C4'-P energy: -128.021 bonds (distance) P-C4' energy: -132.698 flat angles C4'-P-C4' energy: -161.885 flat angles P-C4'-P energy: -103.039 tors. eta vs tors. theta energy: -204.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2111.933720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.933720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.933720 (E_RNA) where: Base-Base interactions energy: -1407.275 where: short stacking energy: -638.850 Base-Backbone interact. energy: -2.939 local terms energy: -701.719489 where: bonds (distance) C4'-P energy: -136.183 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -139.204 flat angles P-C4'-P energy: -101.156 tors. eta vs tors. theta energy: -190.187 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: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1989.436276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.436276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.436276 (E_RNA) where: Base-Base interactions energy: -1357.978 where: short stacking energy: -582.692 Base-Backbone interact. energy: 1.335 local terms energy: -632.792857 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -138.140 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -140.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1994.648216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.648216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.648216 (E_RNA) where: Base-Base interactions energy: -1403.406 where: short stacking energy: -569.893 Base-Backbone interact. energy: -2.107 local terms energy: -589.135159 where: bonds (distance) C4'-P energy: -111.436 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -141.764 flat angles P-C4'-P energy: -83.492 tors. eta vs tors. theta energy: -131.472 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: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1514.629981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.629981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.629981 (E_RNA) where: Base-Base interactions energy: -935.032 where: short stacking energy: -420.858 Base-Backbone interact. energy: 2.641 local terms energy: -582.239462 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -147.367 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -113.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1331.499450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.499450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.499450 (E_RNA) where: Base-Base interactions energy: -828.226 where: short stacking energy: -397.319 Base-Backbone interact. energy: -2.102 local terms energy: -501.171767 where: bonds (distance) C4'-P energy: -105.758 bonds (distance) P-C4' energy: -127.250 flat angles C4'-P-C4' energy: -120.636 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: -80.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -907.090106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.090106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.090106 (E_RNA) where: Base-Base interactions energy: -489.148 where: short stacking energy: -256.718 Base-Backbone interact. energy: -0.953 local terms energy: -416.988972 where: bonds (distance) C4'-P energy: -109.542 bonds (distance) P-C4' energy: -120.769 flat angles C4'-P-C4' energy: -106.168 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -10.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2775.212523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.212523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.212523 (E_RNA) where: Base-Base interactions energy: -1963.945 where: short stacking energy: -831.578 Base-Backbone interact. energy: -0.447 local terms energy: -810.820539 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -147.811 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -246.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2566.323425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.323425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.323425 (E_RNA) where: Base-Base interactions energy: -1816.923 where: short stacking energy: -735.793 Base-Backbone interact. energy: -2.431 local terms energy: -746.969371 where: bonds (distance) C4'-P energy: -139.823 bonds (distance) P-C4' energy: -139.776 flat angles C4'-P-C4' energy: -164.321 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -198.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2541.065618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.065618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.065618 (E_RNA) where: Base-Base interactions energy: -1788.576 where: short stacking energy: -710.618 Base-Backbone interact. energy: 7.551 local terms energy: -760.041485 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -143.373 flat angles C4'-P-C4' energy: -170.828 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -202.391 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: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2373.510256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.510256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.510256 (E_RNA) where: Base-Base interactions energy: -1632.357 where: short stacking energy: -720.277 Base-Backbone interact. energy: -3.753 local terms energy: -737.399776 where: bonds (distance) C4'-P energy: -138.785 bonds (distance) P-C4' energy: -144.790 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -106.116 tors. eta vs tors. theta energy: -207.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2112.050405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.050405 (E_RNA) where: Base-Base interactions energy: -1423.744 where: short stacking energy: -655.654 Base-Backbone interact. energy: 1.223 local terms energy: -689.529125 where: bonds (distance) C4'-P energy: -132.500 bonds (distance) P-C4' energy: -117.399 flat angles C4'-P-C4' energy: -160.640 flat angles P-C4'-P energy: -91.016 tors. eta vs tors. theta energy: -187.974 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: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2034.241240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.241240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.241240 (E_RNA) where: Base-Base interactions energy: -1394.760 where: short stacking energy: -578.745 Base-Backbone interact. energy: 4.865 local terms energy: -644.346234 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -135.167 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -135.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1933.660937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.660937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.660937 (E_RNA) where: Base-Base interactions energy: -1358.814 where: short stacking energy: -575.297 Base-Backbone interact. energy: -1.243 local terms energy: -573.604119 where: bonds (distance) C4'-P energy: -118.038 bonds (distance) P-C4' energy: -116.678 flat angles C4'-P-C4' energy: -130.803 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: -130.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1564.687299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.687299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.687299 (E_RNA) where: Base-Base interactions energy: -1038.660 where: short stacking energy: -441.934 Base-Backbone interact. energy: 3.824 local terms energy: -529.851006 where: bonds (distance) C4'-P energy: -108.926 bonds (distance) P-C4' energy: -131.616 flat angles C4'-P-C4' energy: -106.075 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -94.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1311.872076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.872076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.872076 (E_RNA) where: Base-Base interactions energy: -811.010 where: short stacking energy: -369.677 Base-Backbone interact. energy: -2.796 local terms energy: -498.066066 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -126.455 flat angles C4'-P-C4' energy: -106.708 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -54.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -922.267047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.267047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.267047 (E_RNA) where: Base-Base interactions energy: -502.335 where: short stacking energy: -257.534 Base-Backbone interact. energy: -0.694 local terms energy: -419.238056 where: bonds (distance) C4'-P energy: -122.394 bonds (distance) P-C4' energy: -127.387 flat angles C4'-P-C4' energy: -104.160 flat angles P-C4'-P energy: -65.283 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2790.732274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.732274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.732274 (E_RNA) where: Base-Base interactions energy: -1970.074 where: short stacking energy: -831.690 Base-Backbone interact. energy: -1.877 local terms energy: -818.781081 where: bonds (distance) C4'-P energy: -140.144 bonds (distance) P-C4' energy: -153.001 flat angles C4'-P-C4' energy: -169.303 flat angles P-C4'-P energy: -108.389 tors. eta vs tors. theta energy: -247.944 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: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2636.618765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.618765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.618765 (E_RNA) where: Base-Base interactions energy: -1826.393 where: short stacking energy: -745.092 Base-Backbone interact. energy: -4.662 local terms energy: -805.562908 where: bonds (distance) C4'-P energy: -142.700 bonds (distance) P-C4' energy: -146.913 flat angles C4'-P-C4' energy: -169.231 flat angles P-C4'-P energy: -125.789 tors. eta vs tors. theta energy: -220.929 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: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2603.168584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.168584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.168584 (E_RNA) where: Base-Base interactions energy: -1828.474 where: short stacking energy: -745.179 Base-Backbone interact. energy: 0.513 local terms energy: -775.207152 where: bonds (distance) C4'-P energy: -130.286 bonds (distance) P-C4' energy: -141.701 flat angles C4'-P-C4' energy: -168.911 flat angles P-C4'-P energy: -115.757 tors. eta vs tors. theta energy: -218.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2356.457460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.457460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.457460 (E_RNA) where: Base-Base interactions energy: -1641.301 where: short stacking energy: -711.361 Base-Backbone interact. energy: -2.189 local terms energy: -712.967426 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -136.839 flat angles C4'-P-C4' energy: -156.071 flat angles P-C4'-P energy: -96.580 tors. eta vs tors. theta energy: -205.047 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: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2138.294521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.294521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.294521 (E_RNA) where: Base-Base interactions energy: -1423.625 where: short stacking energy: -652.586 Base-Backbone interact. energy: -1.091 local terms energy: -713.578789 where: bonds (distance) C4'-P energy: -137.250 bonds (distance) P-C4' energy: -135.101 flat angles C4'-P-C4' energy: -150.076 flat angles P-C4'-P energy: -97.066 tors. eta vs tors. theta energy: -194.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2075.394243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.394243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.394243 (E_RNA) where: Base-Base interactions energy: -1429.495 where: short stacking energy: -613.971 Base-Backbone interact. energy: 1.443 local terms energy: -647.342212 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -116.660 flat angles C4'-P-C4' energy: -154.975 flat angles P-C4'-P energy: -87.623 tors. eta vs tors. theta energy: -163.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1902.985497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.985497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.985497 (E_RNA) where: Base-Base interactions energy: -1304.901 where: short stacking energy: -573.387 Base-Backbone interact. energy: 3.832 local terms energy: -601.916982 where: bonds (distance) C4'-P energy: -126.812 bonds (distance) P-C4' energy: -126.976 flat angles C4'-P-C4' energy: -127.544 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -135.400 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: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1501.142554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.142554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.142554 (E_RNA) where: Base-Base interactions energy: -963.075 where: short stacking energy: -408.471 Base-Backbone interact. energy: -1.728 local terms energy: -536.338779 where: bonds (distance) C4'-P energy: -120.403 bonds (distance) P-C4' energy: -111.129 flat angles C4'-P-C4' energy: -133.773 flat angles P-C4'-P energy: -93.334 tors. eta vs tors. theta energy: -77.699 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: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1399.567181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.567181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.567181 (E_RNA) where: Base-Base interactions energy: -882.715 where: short stacking energy: -397.061 Base-Backbone interact. energy: 1.314 local terms energy: -518.166707 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -126.996 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -76.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -898.331301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.331301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.331301 (E_RNA) where: Base-Base interactions energy: -530.203 where: short stacking energy: -243.532 Base-Backbone interact. energy: -1.936 local terms energy: -366.191842 where: bonds (distance) C4'-P energy: -120.621 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: 9.040 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: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2786.012404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.012404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.012404 (E_RNA) where: Base-Base interactions energy: -1964.445 where: short stacking energy: -808.012 Base-Backbone interact. energy: 1.298 local terms energy: -822.865168 where: bonds (distance) C4'-P energy: -133.469 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -181.197 flat angles P-C4'-P energy: -115.169 tors. eta vs tors. theta energy: -245.127 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: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2669.487386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.487386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.487386 (E_RNA) where: Base-Base interactions energy: -1904.117 where: short stacking energy: -791.565 Base-Backbone interact. energy: -0.802 local terms energy: -764.568214 where: bonds (distance) C4'-P energy: -131.934 bonds (distance) P-C4' energy: -136.074 flat angles C4'-P-C4' energy: -166.745 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -215.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2567.300410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.300410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.300410 (E_RNA) where: Base-Base interactions energy: -1782.255 where: short stacking energy: -733.991 Base-Backbone interact. energy: -1.597 local terms energy: -783.448915 where: bonds (distance) C4'-P energy: -138.800 bonds (distance) P-C4' energy: -148.661 flat angles C4'-P-C4' energy: -161.824 flat angles P-C4'-P energy: -120.287 tors. eta vs tors. theta energy: -213.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2319.158898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.158898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.158898 (E_RNA) where: Base-Base interactions energy: -1578.874 where: short stacking energy: -692.647 Base-Backbone interact. energy: -1.826 local terms energy: -738.458848 where: bonds (distance) C4'-P energy: -125.736 bonds (distance) P-C4' energy: -145.270 flat angles C4'-P-C4' energy: -159.220 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -205.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2131.070919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.070919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.070919 (E_RNA) where: Base-Base interactions energy: -1433.402 where: short stacking energy: -629.913 Base-Backbone interact. energy: -3.586 local terms energy: -694.082810 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -134.891 flat angles C4'-P-C4' energy: -154.330 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -182.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2083.392817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.392817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.392817 (E_RNA) where: Base-Base interactions energy: -1432.852 where: short stacking energy: -594.080 Base-Backbone interact. energy: -1.749 local terms energy: -648.792095 where: bonds (distance) C4'-P energy: -137.450 bonds (distance) P-C4' energy: -118.843 flat angles C4'-P-C4' energy: -146.072 flat angles P-C4'-P energy: -107.478 tors. eta vs tors. theta energy: -138.949 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: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1790.564660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.564660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.564660 (E_RNA) where: Base-Base interactions energy: -1220.841 where: short stacking energy: -520.719 Base-Backbone interact. energy: -1.331 local terms energy: -568.392966 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -135.296 flat angles C4'-P-C4' energy: -137.414 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -111.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1505.692802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.692802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.692802 (E_RNA) where: Base-Base interactions energy: -950.174 where: short stacking energy: -463.027 Base-Backbone interact. energy: -3.364 local terms energy: -552.155196 where: bonds (distance) C4'-P energy: -94.350 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -133.482 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -92.879 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: 387 Temperature: 1.300000 Total energy: -1382.337676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.337676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.337676 (E_RNA) where: Base-Base interactions energy: -863.255 where: short stacking energy: -396.393 Base-Backbone interact. energy: 5.880 local terms energy: -524.961779 where: bonds (distance) C4'-P energy: -129.713 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -109.175 flat angles P-C4'-P energy: -87.603 tors. eta vs tors. theta energy: -63.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -931.820024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.820024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.820024 (E_RNA) where: Base-Base interactions energy: -520.165 where: short stacking energy: -266.362 Base-Backbone interact. energy: 3.508 local terms energy: -415.163412 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -141.591 flat angles C4'-P-C4' energy: -107.581 flat angles P-C4'-P energy: -61.333 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2784.349109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.349109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.349109 (E_RNA) where: Base-Base interactions energy: -1956.080 where: short stacking energy: -818.684 Base-Backbone interact. energy: -4.515 local terms energy: -823.753214 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -151.076 flat angles C4'-P-C4' energy: -160.011 flat angles P-C4'-P energy: -121.168 tors. eta vs tors. theta energy: -239.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2632.652487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.652487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.652487 (E_RNA) where: Base-Base interactions energy: -1857.556 where: short stacking energy: -749.007 Base-Backbone interact. energy: -6.913 local terms energy: -768.183529 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -148.472 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -109.000 tors. eta vs tors. theta energy: -198.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2552.079401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.079401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.079401 (E_RNA) where: Base-Base interactions energy: -1769.161 where: short stacking energy: -740.945 Base-Backbone interact. energy: -1.896 local terms energy: -781.021684 where: bonds (distance) C4'-P energy: -135.048 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -169.758 flat angles P-C4'-P energy: -106.469 tors. eta vs tors. theta energy: -221.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2320.442837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.442837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.442837 (E_RNA) where: Base-Base interactions energy: -1594.532 where: short stacking energy: -714.216 Base-Backbone interact. energy: 0.039 local terms energy: -725.950702 where: bonds (distance) C4'-P energy: -130.110 bonds (distance) P-C4' energy: -129.361 flat angles C4'-P-C4' energy: -165.821 flat angles P-C4'-P energy: -93.746 tors. eta vs tors. theta energy: -206.913 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: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2161.200617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.200617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.200617 (E_RNA) where: Base-Base interactions energy: -1491.694 where: short stacking energy: -623.639 Base-Backbone interact. energy: -1.890 local terms energy: -667.616210 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -130.793 flat angles C4'-P-C4' energy: -145.011 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -167.986 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: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2066.459259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.459259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.459259 (E_RNA) where: Base-Base interactions energy: -1384.112 where: short stacking energy: -639.218 Base-Backbone interact. energy: -2.563 local terms energy: -679.783337 where: bonds (distance) C4'-P energy: -111.382 bonds (distance) P-C4' energy: -152.408 flat angles C4'-P-C4' energy: -152.654 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -175.208 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: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1828.401165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.401165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.401165 (E_RNA) where: Base-Base interactions energy: -1190.142 where: short stacking energy: -513.322 Base-Backbone interact. energy: -3.479 local terms energy: -634.779914 where: bonds (distance) C4'-P energy: -122.058 bonds (distance) P-C4' energy: -136.686 flat angles C4'-P-C4' energy: -152.346 flat angles P-C4'-P energy: -84.735 tors. eta vs tors. theta energy: -138.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1497.632641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.632641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.632641 (E_RNA) where: Base-Base interactions energy: -978.558 where: short stacking energy: -438.525 Base-Backbone interact. energy: 2.282 local terms energy: -521.357331 where: bonds (distance) C4'-P energy: -118.162 bonds (distance) P-C4' energy: -123.179 flat angles C4'-P-C4' energy: -118.377 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: -90.052 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: 388 Temperature: 1.300000 Total energy: -1344.403996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.403996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.403996 (E_RNA) where: Base-Base interactions energy: -882.673 where: short stacking energy: -393.516 Base-Backbone interact. energy: 6.425 local terms energy: -468.155903 where: bonds (distance) C4'-P energy: -114.164 bonds (distance) P-C4' energy: -106.318 flat angles C4'-P-C4' energy: -123.384 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -59.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -939.297663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.297663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.297663 (E_RNA) where: Base-Base interactions energy: -533.165 where: short stacking energy: -250.434 Base-Backbone interact. energy: -0.189 local terms energy: -405.943107 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -112.679 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -51.521 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: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2788.501442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.501442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.501442 (E_RNA) where: Base-Base interactions energy: -1986.370 where: short stacking energy: -824.473 Base-Backbone interact. energy: -2.687 local terms energy: -799.443817 where: bonds (distance) C4'-P energy: -139.993 bonds (distance) P-C4' energy: -149.750 flat angles C4'-P-C4' energy: -166.940 flat angles P-C4'-P energy: -109.918 tors. eta vs tors. theta energy: -232.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2610.606417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.606417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.606417 (E_RNA) where: Base-Base interactions energy: -1848.865 where: short stacking energy: -760.721 Base-Backbone interact. energy: 2.400 local terms energy: -764.141674 where: bonds (distance) C4'-P energy: -141.131 bonds (distance) P-C4' energy: -139.822 flat angles C4'-P-C4' energy: -152.240 flat angles P-C4'-P energy: -111.303 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: 389 Temperature: 1.000000 Total energy: -2548.008111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.008111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.008111 (E_RNA) where: Base-Base interactions energy: -1787.693 where: short stacking energy: -742.127 Base-Backbone interact. energy: -0.070 local terms energy: -760.245371 where: bonds (distance) C4'-P energy: -137.663 bonds (distance) P-C4' energy: -136.797 flat angles C4'-P-C4' energy: -160.392 flat angles P-C4'-P energy: -111.136 tors. eta vs tors. theta energy: -214.257 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: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2350.876538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.876538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.876538 (E_RNA) where: Base-Base interactions energy: -1621.534 where: short stacking energy: -705.311 Base-Backbone interact. energy: 2.389 local terms energy: -731.731480 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -144.049 flat angles P-C4'-P energy: -108.020 tors. eta vs tors. theta energy: -199.502 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: 389 Temperature: 1.100000 Total energy: -2122.589290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.589290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.589290 (E_RNA) where: Base-Base interactions energy: -1450.564 where: short stacking energy: -602.200 Base-Backbone interact. energy: -0.638 local terms energy: -671.386748 where: bonds (distance) C4'-P energy: -134.386 bonds (distance) P-C4' energy: -150.665 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -82.095 tors. eta vs tors. theta energy: -162.231 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: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2028.846386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.846386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.846386 (E_RNA) where: Base-Base interactions energy: -1362.829 where: short stacking energy: -634.327 Base-Backbone interact. energy: -0.550 local terms energy: -665.467830 where: bonds (distance) C4'-P energy: -108.529 bonds (distance) P-C4' energy: -131.252 flat angles C4'-P-C4' energy: -144.441 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -198.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1849.626942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.626942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.626942 (E_RNA) where: Base-Base interactions energy: -1220.894 where: short stacking energy: -516.853 Base-Backbone interact. energy: -2.530 local terms energy: -626.203469 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -137.647 flat angles C4'-P-C4' energy: -147.559 flat angles P-C4'-P energy: -88.095 tors. eta vs tors. theta energy: -131.520 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: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1523.100086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.100086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.100086 (E_RNA) where: Base-Base interactions energy: -980.571 where: short stacking energy: -451.577 Base-Backbone interact. energy: -2.274 local terms energy: -540.255213 where: bonds (distance) C4'-P energy: -111.391 bonds (distance) P-C4' energy: -114.528 flat angles C4'-P-C4' energy: -139.934 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -91.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1363.686861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.686861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.686861 (E_RNA) where: Base-Base interactions energy: -819.217 where: short stacking energy: -383.234 Base-Backbone interact. energy: -0.661 local terms energy: -543.808652 where: bonds (distance) C4'-P energy: -117.912 bonds (distance) P-C4' energy: -121.419 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -90.116 tors. eta vs tors. theta energy: -81.876 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: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -879.154544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.154544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.154544 (E_RNA) where: Base-Base interactions energy: -491.844 where: short stacking energy: -248.348 Base-Backbone interact. energy: 4.043 local terms energy: -391.353432 where: bonds (distance) C4'-P energy: -109.626 bonds (distance) P-C4' energy: -119.693 flat angles C4'-P-C4' energy: -116.606 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: 3.921 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: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2774.978192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.978192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.978192 (E_RNA) where: Base-Base interactions energy: -1949.569 where: short stacking energy: -810.210 Base-Backbone interact. energy: 1.598 local terms energy: -827.007128 where: bonds (distance) C4'-P energy: -140.078 bonds (distance) P-C4' energy: -141.739 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -126.668 tors. eta vs tors. theta energy: -237.692 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: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2583.969834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.969834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.969834 (E_RNA) where: Base-Base interactions energy: -1814.797 where: short stacking energy: -756.114 Base-Backbone interact. energy: -0.778 local terms energy: -768.394156 where: bonds (distance) C4'-P energy: -135.819 bonds (distance) P-C4' energy: -135.248 flat angles C4'-P-C4' energy: -172.383 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -223.877 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: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2521.195629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.195629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.195629 (E_RNA) where: Base-Base interactions energy: -1780.950 where: short stacking energy: -736.510 Base-Backbone interact. energy: -3.337 local terms energy: -736.908634 where: bonds (distance) C4'-P energy: -138.770 bonds (distance) P-C4' energy: -137.586 flat angles C4'-P-C4' energy: -169.931 flat angles P-C4'-P energy: -101.563 tors. eta vs tors. theta energy: -189.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2360.100128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.100128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.100128 (E_RNA) where: Base-Base interactions energy: -1612.831 where: short stacking energy: -708.710 Base-Backbone interact. energy: -3.999 local terms energy: -743.270551 where: bonds (distance) C4'-P energy: -122.620 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -156.176 flat angles P-C4'-P energy: -111.720 tors. eta vs tors. theta energy: -204.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2141.051717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.051717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.051717 (E_RNA) where: Base-Base interactions energy: -1464.972 where: short stacking energy: -608.633 Base-Backbone interact. energy: 4.638 local terms energy: -680.717724 where: bonds (distance) C4'-P energy: -129.398 bonds (distance) P-C4' energy: -145.128 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -86.110 tors. eta vs tors. theta energy: -150.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2024.495536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.495536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.495536 (E_RNA) where: Base-Base interactions energy: -1360.581 where: short stacking energy: -587.735 Base-Backbone interact. energy: 0.044 local terms energy: -663.958628 where: bonds (distance) C4'-P energy: -112.151 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -143.156 flat angles P-C4'-P energy: -94.717 tors. eta vs tors. theta energy: -178.418 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: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1830.747328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.747328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.747328 (E_RNA) where: Base-Base interactions energy: -1257.521 where: short stacking energy: -562.160 Base-Backbone interact. energy: 5.512 local terms energy: -578.738142 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -124.571 flat angles P-C4'-P energy: -73.686 tors. eta vs tors. theta energy: -134.299 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: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1429.572920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.572920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.572920 (E_RNA) where: Base-Base interactions energy: -917.282 where: short stacking energy: -420.940 Base-Backbone interact. energy: -0.197 local terms energy: -512.093544 where: bonds (distance) C4'-P energy: -125.858 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -109.589 flat angles P-C4'-P energy: -72.971 tors. eta vs tors. theta energy: -63.292 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: 390 Temperature: 1.300000 Total energy: -1401.001891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.001891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.001891 (E_RNA) where: Base-Base interactions energy: -885.149 where: short stacking energy: -423.611 Base-Backbone interact. energy: 0.795 local terms energy: -516.647995 where: bonds (distance) C4'-P energy: -117.818 bonds (distance) P-C4' energy: -117.191 flat angles C4'-P-C4' energy: -119.939 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -83.221 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: 390 Temperature: 1.350000 Total energy: -839.379625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.379625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.379625 (E_RNA) where: Base-Base interactions energy: -441.049 where: short stacking energy: -215.308 Base-Backbone interact. energy: 4.014 local terms energy: -402.345145 where: bonds (distance) C4'-P energy: -112.086 bonds (distance) P-C4' energy: -93.787 flat angles C4'-P-C4' energy: -125.032 flat angles P-C4'-P energy: -74.838 tors. eta vs tors. theta energy: 3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2755.637344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.637344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.637344 (E_RNA) where: Base-Base interactions energy: -1937.995 where: short stacking energy: -835.213 Base-Backbone interact. energy: -2.101 local terms energy: -815.541574 where: bonds (distance) C4'-P energy: -156.025 bonds (distance) P-C4' energy: -144.138 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -240.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2620.249199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.249199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.249199 (E_RNA) where: Base-Base interactions energy: -1805.509 where: short stacking energy: -771.315 Base-Backbone interact. energy: 1.037 local terms energy: -815.777682 where: bonds (distance) C4'-P energy: -150.418 bonds (distance) P-C4' energy: -155.680 flat angles C4'-P-C4' energy: -173.763 flat angles P-C4'-P energy: -110.455 tors. eta vs tors. theta energy: -225.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2582.637119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.637119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.637119 (E_RNA) where: Base-Base interactions energy: -1818.709 where: short stacking energy: -758.025 Base-Backbone interact. energy: 1.147 local terms energy: -765.075908 where: bonds (distance) C4'-P energy: -144.504 bonds (distance) P-C4' energy: -124.412 flat angles C4'-P-C4' energy: -167.331 flat angles P-C4'-P energy: -117.544 tors. eta vs tors. theta energy: -211.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2305.872064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.872064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.872064 (E_RNA) where: Base-Base interactions energy: -1570.683 where: short stacking energy: -700.098 Base-Backbone interact. energy: 2.478 local terms energy: -737.667004 where: bonds (distance) C4'-P energy: -135.750 bonds (distance) P-C4' energy: -140.814 flat angles C4'-P-C4' energy: -167.838 flat angles P-C4'-P energy: -93.520 tors. eta vs tors. theta energy: -199.744 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: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2143.206781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.206781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.206781 (E_RNA) where: Base-Base interactions energy: -1483.045 where: short stacking energy: -624.684 Base-Backbone interact. energy: -1.178 local terms energy: -658.983736 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -117.569 flat angles C4'-P-C4' energy: -162.678 flat angles P-C4'-P energy: -95.499 tors. eta vs tors. theta energy: -164.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2084.602522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.602522 (E_RNA) where: Base-Base interactions energy: -1365.386 where: short stacking energy: -625.927 Base-Backbone interact. energy: 0.771 local terms energy: -719.987637 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -141.982 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -111.599 tors. eta vs tors. theta energy: -198.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1831.301110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.301110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.301110 (E_RNA) where: Base-Base interactions energy: -1244.485 where: short stacking energy: -515.047 Base-Backbone interact. energy: -3.833 local terms energy: -582.982193 where: bonds (distance) C4'-P energy: -124.288 bonds (distance) P-C4' energy: -116.932 flat angles C4'-P-C4' energy: -137.731 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -121.748 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1552.553062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.553062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.553062 (E_RNA) where: Base-Base interactions energy: -1001.910 where: short stacking energy: -432.747 Base-Backbone interact. energy: -3.178 local terms energy: -547.465030 where: bonds (distance) C4'-P energy: -100.371 bonds (distance) P-C4' energy: -135.572 flat angles C4'-P-C4' energy: -117.573 flat angles P-C4'-P energy: -103.974 tors. eta vs tors. theta energy: -89.974 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: 391 Temperature: 1.300000 Total energy: -1349.282463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.282463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.282463 (E_RNA) where: Base-Base interactions energy: -863.952 where: short stacking energy: -389.587 Base-Backbone interact. energy: -0.075 local terms energy: -485.255722 where: bonds (distance) C4'-P energy: -89.291 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -131.522 flat angles P-C4'-P energy: -68.560 tors. eta vs tors. theta energy: -71.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -876.750513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.750513 (E_RNA) where: Base-Base interactions energy: -448.658 where: short stacking energy: -234.517 Base-Backbone interact. energy: -3.290 local terms energy: -424.802596 where: bonds (distance) C4'-P energy: -133.011 bonds (distance) P-C4' energy: -127.497 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2748.946563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.946563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.946563 (E_RNA) where: Base-Base interactions energy: -1914.578 where: short stacking energy: -785.958 Base-Backbone interact. energy: 0.245 local terms energy: -834.613300 where: bonds (distance) C4'-P energy: -148.473 bonds (distance) P-C4' energy: -155.112 flat angles C4'-P-C4' energy: -175.749 flat angles P-C4'-P energy: -119.678 tors. eta vs tors. theta energy: -235.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2588.656906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.656906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.656906 (E_RNA) where: Base-Base interactions energy: -1783.792 where: short stacking energy: -757.411 Base-Backbone interact. energy: -0.818 local terms energy: -804.047785 where: bonds (distance) C4'-P energy: -150.483 bonds (distance) P-C4' energy: -149.416 flat angles C4'-P-C4' energy: -168.493 flat angles P-C4'-P energy: -122.257 tors. eta vs tors. theta energy: -213.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2523.078289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.078289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.078289 (E_RNA) where: Base-Base interactions energy: -1799.643 where: short stacking energy: -711.112 Base-Backbone interact. energy: -4.917 local terms energy: -718.517965 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -161.583 flat angles P-C4'-P energy: -94.948 tors. eta vs tors. theta energy: -197.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2324.062024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.062024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.062024 (E_RNA) where: Base-Base interactions energy: -1614.437 where: short stacking energy: -693.663 Base-Backbone interact. energy: -0.634 local terms energy: -708.991054 where: bonds (distance) C4'-P energy: -128.692 bonds (distance) P-C4' energy: -128.301 flat angles C4'-P-C4' energy: -156.219 flat angles P-C4'-P energy: -98.318 tors. eta vs tors. theta energy: -197.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2112.920873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.920873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.920873 (E_RNA) where: Base-Base interactions energy: -1451.023 where: short stacking energy: -588.974 Base-Backbone interact. energy: -1.414 local terms energy: -660.484180 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -150.779 flat angles P-C4'-P energy: -101.921 tors. eta vs tors. theta energy: -137.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1987.060928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.060928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.060928 (E_RNA) where: Base-Base interactions energy: -1345.834 where: short stacking energy: -618.088 Base-Backbone interact. energy: 3.451 local terms energy: -644.677939 where: bonds (distance) C4'-P energy: -115.848 bonds (distance) P-C4' energy: -138.029 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: -169.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1886.996540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.996540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.996540 (E_RNA) where: Base-Base interactions energy: -1270.825 where: short stacking energy: -548.725 Base-Backbone interact. energy: -1.741 local terms energy: -614.431177 where: bonds (distance) C4'-P energy: -130.822 bonds (distance) P-C4' energy: -118.278 flat angles C4'-P-C4' energy: -136.050 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -150.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1543.505644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.505644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.505644 (E_RNA) where: Base-Base interactions energy: -991.403 where: short stacking energy: -429.470 Base-Backbone interact. energy: -2.956 local terms energy: -549.147171 where: bonds (distance) C4'-P energy: -111.795 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -143.267 flat angles P-C4'-P energy: -92.397 tors. eta vs tors. theta energy: -70.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1331.838161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.838161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.838161 (E_RNA) where: Base-Base interactions energy: -824.650 where: short stacking energy: -347.419 Base-Backbone interact. energy: 0.517 local terms energy: -507.705563 where: bonds (distance) C4'-P energy: -112.601 bonds (distance) P-C4' energy: -146.434 flat angles C4'-P-C4' energy: -122.013 flat angles P-C4'-P energy: -60.048 tors. eta vs tors. theta energy: -66.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -911.353586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.353586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.353586 (E_RNA) where: Base-Base interactions energy: -483.133 where: short stacking energy: -264.035 Base-Backbone interact. energy: 4.734 local terms energy: -432.954222 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -130.234 flat angles C4'-P-C4' energy: -110.742 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -32.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2792.090314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.090314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.090314 (E_RNA) where: Base-Base interactions energy: -1970.886 where: short stacking energy: -824.571 Base-Backbone interact. energy: -2.233 local terms energy: -818.971686 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -147.718 flat angles C4'-P-C4' energy: -166.349 flat angles P-C4'-P energy: -125.718 tors. eta vs tors. theta energy: -240.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2624.146563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.146563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.146563 (E_RNA) where: Base-Base interactions energy: -1810.755 where: short stacking energy: -755.127 Base-Backbone interact. energy: -3.066 local terms energy: -810.325949 where: bonds (distance) C4'-P energy: -141.894 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -167.113 flat angles P-C4'-P energy: -126.943 tors. eta vs tors. theta energy: -219.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2534.485588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.485588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.485588 (E_RNA) where: Base-Base interactions energy: -1760.408 where: short stacking energy: -729.061 Base-Backbone interact. energy: -1.285 local terms energy: -772.792036 where: bonds (distance) C4'-P energy: -139.125 bonds (distance) P-C4' energy: -155.640 flat angles C4'-P-C4' energy: -173.513 flat angles P-C4'-P energy: -105.573 tors. eta vs tors. theta energy: -198.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2298.981095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.981095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.981095 (E_RNA) where: Base-Base interactions energy: -1556.478 where: short stacking energy: -679.143 Base-Backbone interact. energy: -2.379 local terms energy: -740.124114 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -136.633 flat angles C4'-P-C4' energy: -172.935 flat angles P-C4'-P energy: -116.631 tors. eta vs tors. theta energy: -184.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2141.525519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.525519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.525519 (E_RNA) where: Base-Base interactions energy: -1466.973 where: short stacking energy: -605.254 Base-Backbone interact. energy: -0.478 local terms energy: -674.074688 where: bonds (distance) C4'-P energy: -124.899 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -104.686 tors. eta vs tors. theta energy: -160.728 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: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1965.096312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.096312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.096312 (E_RNA) where: Base-Base interactions energy: -1335.905 where: short stacking energy: -556.720 Base-Backbone interact. energy: -1.186 local terms energy: -628.005241 where: bonds (distance) C4'-P energy: -128.315 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -139.665 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -151.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1898.105489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.105489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.105489 (E_RNA) where: Base-Base interactions energy: -1251.969 where: short stacking energy: -567.017 Base-Backbone interact. energy: -3.504 local terms energy: -642.632661 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -132.406 flat angles C4'-P-C4' energy: -148.842 flat angles P-C4'-P energy: -81.909 tors. eta vs tors. theta energy: -164.153 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: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1521.912234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.912234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.912234 (E_RNA) where: Base-Base interactions energy: -1001.140 where: short stacking energy: -443.934 Base-Backbone interact. energy: 1.157 local terms energy: -521.929869 where: bonds (distance) C4'-P energy: -127.535 bonds (distance) P-C4' energy: -123.724 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -78.643 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: 393 Temperature: 1.300000 Total energy: -1374.940929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.940929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.940929 (E_RNA) where: Base-Base interactions energy: -854.976 where: short stacking energy: -404.785 Base-Backbone interact. energy: -1.740 local terms energy: -518.225880 where: bonds (distance) C4'-P energy: -135.045 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -67.203 tors. eta vs tors. theta energy: -56.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -871.794203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.794203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.794203 (E_RNA) where: Base-Base interactions energy: -488.681 where: short stacking energy: -232.108 Base-Backbone interact. energy: -1.552 local terms energy: -381.561232 where: bonds (distance) C4'-P energy: -105.743 bonds (distance) P-C4' energy: -110.110 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2757.392522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.392522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.392522 (E_RNA) where: Base-Base interactions energy: -1921.556 where: short stacking energy: -796.244 Base-Backbone interact. energy: -2.191 local terms energy: -833.645258 where: bonds (distance) C4'-P energy: -143.365 bonds (distance) P-C4' energy: -155.286 flat angles C4'-P-C4' energy: -177.692 flat angles P-C4'-P energy: -122.750 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2635.348346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.348346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.348346 (E_RNA) where: Base-Base interactions energy: -1836.054 where: short stacking energy: -754.998 Base-Backbone interact. energy: -2.077 local terms energy: -797.217732 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -159.401 flat angles C4'-P-C4' energy: -169.259 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -218.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2516.167084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.167084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.167084 (E_RNA) where: Base-Base interactions energy: -1777.697 where: short stacking energy: -735.472 Base-Backbone interact. energy: 3.474 local terms energy: -741.944260 where: bonds (distance) C4'-P energy: -137.876 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -156.889 flat angles P-C4'-P energy: -103.783 tors. eta vs tors. theta energy: -213.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2357.407195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.407195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.407195 (E_RNA) where: Base-Base interactions energy: -1599.060 where: short stacking energy: -713.002 Base-Backbone interact. energy: -1.526 local terms energy: -756.821292 where: bonds (distance) C4'-P energy: -124.874 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -167.715 flat angles P-C4'-P energy: -114.959 tors. eta vs tors. theta energy: -207.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2161.135477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.135477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.135477 (E_RNA) where: Base-Base interactions energy: -1486.142 where: short stacking energy: -639.282 Base-Backbone interact. energy: 1.614 local terms energy: -676.607546 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -160.439 flat angles P-C4'-P energy: -100.208 tors. eta vs tors. theta energy: -166.919 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1955.328726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.328726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.328726 (E_RNA) where: Base-Base interactions energy: -1348.086 where: short stacking energy: -591.225 Base-Backbone interact. energy: -0.662 local terms energy: -606.580382 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -111.910 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -146.829 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: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1841.876475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.876475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.876475 (E_RNA) where: Base-Base interactions energy: -1208.469 where: short stacking energy: -548.695 Base-Backbone interact. energy: 1.952 local terms energy: -635.360280 where: bonds (distance) C4'-P energy: -121.897 bonds (distance) P-C4' energy: -122.568 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -151.157 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: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1586.043459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.043459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.043459 (E_RNA) where: Base-Base interactions energy: -1008.220 where: short stacking energy: -434.685 Base-Backbone interact. energy: -3.791 local terms energy: -574.031965 where: bonds (distance) C4'-P energy: -135.854 bonds (distance) P-C4' energy: -126.779 flat angles C4'-P-C4' energy: -126.794 flat angles P-C4'-P energy: -85.279 tors. eta vs tors. theta energy: -99.325 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: 394 Temperature: 1.300000 Total energy: -1381.320491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.320491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.320491 (E_RNA) where: Base-Base interactions energy: -880.118 where: short stacking energy: -410.255 Base-Backbone interact. energy: 4.608 local terms energy: -505.810484 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -71.370 tors. eta vs tors. theta energy: -71.854 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: 394 Temperature: 1.350000 Total energy: -867.032630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.032630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.032630 (E_RNA) where: Base-Base interactions energy: -486.768 where: short stacking energy: -242.620 Base-Backbone interact. energy: -0.348 local terms energy: -379.916978 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -115.198 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -45.622 tors. eta vs tors. theta energy: 8.052 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: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2764.974464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.974464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.974464 (E_RNA) where: Base-Base interactions energy: -1940.653 where: short stacking energy: -792.229 Base-Backbone interact. energy: -2.814 local terms energy: -821.507563 where: bonds (distance) C4'-P energy: -133.072 bonds (distance) P-C4' energy: -166.373 flat angles C4'-P-C4' energy: -157.811 flat angles P-C4'-P energy: -125.530 tors. eta vs tors. theta energy: -238.722 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: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2617.478915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.478915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.478915 (E_RNA) where: Base-Base interactions energy: -1845.711 where: short stacking energy: -766.816 Base-Backbone interact. energy: 0.466 local terms energy: -772.233771 where: bonds (distance) C4'-P energy: -152.331 bonds (distance) P-C4' energy: -133.494 flat angles C4'-P-C4' energy: -162.909 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -213.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2524.496430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.496430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.496430 (E_RNA) where: Base-Base interactions energy: -1754.080 where: short stacking energy: -722.897 Base-Backbone interact. energy: -1.808 local terms energy: -768.608341 where: bonds (distance) C4'-P energy: -132.911 bonds (distance) P-C4' energy: -150.406 flat angles C4'-P-C4' energy: -169.938 flat angles P-C4'-P energy: -111.871 tors. eta vs tors. theta energy: -203.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2293.773102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.773102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.773102 (E_RNA) where: Base-Base interactions energy: -1602.230 where: short stacking energy: -698.724 Base-Backbone interact. energy: -2.480 local terms energy: -689.063042 where: bonds (distance) C4'-P energy: -124.455 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -154.049 flat angles P-C4'-P energy: -86.404 tors. eta vs tors. theta energy: -198.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2182.289489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.289489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.289489 (E_RNA) where: Base-Base interactions energy: -1505.116 where: short stacking energy: -618.636 Base-Backbone interact. energy: 0.875 local terms energy: -678.048588 where: bonds (distance) C4'-P energy: -127.423 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -170.120 flat angles P-C4'-P energy: -92.095 tors. eta vs tors. theta energy: -163.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1999.081762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.081762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.081762 (E_RNA) where: Base-Base interactions energy: -1364.011 where: short stacking energy: -599.795 Base-Backbone interact. energy: 0.839 local terms energy: -635.909964 where: bonds (distance) C4'-P energy: -117.629 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -139.432 flat angles P-C4'-P energy: -98.989 tors. eta vs tors. theta energy: -147.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1774.914196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.914196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.914196 (E_RNA) where: Base-Base interactions energy: -1156.611 where: short stacking energy: -530.780 Base-Backbone interact. energy: -3.327 local terms energy: -614.975622 where: bonds (distance) C4'-P energy: -129.670 bonds (distance) P-C4' energy: -111.811 flat angles C4'-P-C4' energy: -137.097 flat angles P-C4'-P energy: -72.395 tors. eta vs tors. theta energy: -164.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1602.317521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.317521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.317521 (E_RNA) where: Base-Base interactions energy: -1068.999 where: short stacking energy: -454.699 Base-Backbone interact. energy: -4.705 local terms energy: -528.613549 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -109.925 flat angles P-C4'-P energy: -62.260 tors. eta vs tors. theta energy: -98.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1355.941397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.941397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.941397 (E_RNA) where: Base-Base interactions energy: -851.475 where: short stacking energy: -386.407 Base-Backbone interact. energy: -1.220 local terms energy: -503.246499 where: bonds (distance) C4'-P energy: -118.124 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -126.996 flat angles P-C4'-P energy: -75.388 tors. eta vs tors. theta energy: -67.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -820.801634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.801634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.801634 (E_RNA) where: Base-Base interactions energy: -464.348 where: short stacking energy: -256.707 Base-Backbone interact. energy: 0.218 local terms energy: -356.671701 where: bonds (distance) C4'-P energy: -77.542 bonds (distance) P-C4' energy: -126.430 flat angles C4'-P-C4' energy: -114.972 flat angles P-C4'-P energy: -49.550 tors. eta vs tors. theta energy: 11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2792.190456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.190456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.190456 (E_RNA) where: Base-Base interactions energy: -1968.299 where: short stacking energy: -825.865 Base-Backbone interact. energy: -2.009 local terms energy: -821.882393 where: bonds (distance) C4'-P energy: -135.866 bonds (distance) P-C4' energy: -147.361 flat angles C4'-P-C4' energy: -177.688 flat angles P-C4'-P energy: -115.865 tors. eta vs tors. theta energy: -245.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2586.734961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.734961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.734961 (E_RNA) where: Base-Base interactions energy: -1811.139 where: short stacking energy: -755.406 Base-Backbone interact. energy: 0.431 local terms energy: -776.027117 where: bonds (distance) C4'-P energy: -146.092 bonds (distance) P-C4' energy: -142.147 flat angles C4'-P-C4' energy: -166.076 flat angles P-C4'-P energy: -99.492 tors. eta vs tors. theta energy: -222.220 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: 396 Temperature: 1.000000 Total energy: -2511.281094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.281094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.281094 (E_RNA) where: Base-Base interactions energy: -1779.452 where: short stacking energy: -729.966 Base-Backbone interact. energy: -4.457 local terms energy: -727.371924 where: bonds (distance) C4'-P energy: -133.589 bonds (distance) P-C4' energy: -135.230 flat angles C4'-P-C4' energy: -164.876 flat angles P-C4'-P energy: -97.514 tors. eta vs tors. theta energy: -196.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2346.976056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.976056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.976056 (E_RNA) where: Base-Base interactions energy: -1588.404 where: short stacking energy: -703.012 Base-Backbone interact. energy: -2.721 local terms energy: -755.851902 where: bonds (distance) C4'-P energy: -135.992 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -110.669 tors. eta vs tors. theta energy: -200.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2196.021645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.021645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.021645 (E_RNA) where: Base-Base interactions energy: -1515.221 where: short stacking energy: -648.399 Base-Backbone interact. energy: -3.604 local terms energy: -677.196613 where: bonds (distance) C4'-P energy: -143.290 bonds (distance) P-C4' energy: -135.973 flat angles C4'-P-C4' energy: -138.835 flat angles P-C4'-P energy: -85.922 tors. eta vs tors. theta energy: -173.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2031.802388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.802388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.802388 (E_RNA) where: Base-Base interactions energy: -1390.648 where: short stacking energy: -614.756 Base-Backbone interact. energy: -1.223 local terms energy: -639.931551 where: bonds (distance) C4'-P energy: -121.962 bonds (distance) P-C4' energy: -112.690 flat angles C4'-P-C4' energy: -144.430 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -164.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1785.199218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.199218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.199218 (E_RNA) where: Base-Base interactions energy: -1172.791 where: short stacking energy: -540.012 Base-Backbone interact. energy: 2.719 local terms energy: -615.127249 where: bonds (distance) C4'-P energy: -120.206 bonds (distance) P-C4' energy: -117.065 flat angles C4'-P-C4' energy: -143.844 flat angles P-C4'-P energy: -82.911 tors. eta vs tors. theta energy: -151.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1595.653531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.653531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.653531 (E_RNA) where: Base-Base interactions energy: -1022.452 where: short stacking energy: -434.450 Base-Backbone interact. energy: 1.244 local terms energy: -574.445660 where: bonds (distance) C4'-P energy: -115.721 bonds (distance) P-C4' energy: -136.292 flat angles C4'-P-C4' energy: -135.342 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -90.983 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: 396 Temperature: 1.300000 Total energy: -1295.631563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.631563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.631563 (E_RNA) where: Base-Base interactions energy: -793.778 where: short stacking energy: -365.995 Base-Backbone interact. energy: -1.828 local terms energy: -500.025870 where: bonds (distance) C4'-P energy: -137.552 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -131.497 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -62.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -839.793322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.793322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.793322 (E_RNA) where: Base-Base interactions energy: -435.539 where: short stacking energy: -222.804 Base-Backbone interact. energy: 5.555 local terms energy: -409.809880 where: bonds (distance) C4'-P energy: -112.106 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2787.966626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.966626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.966626 (E_RNA) where: Base-Base interactions energy: -1961.872 where: short stacking energy: -830.382 Base-Backbone interact. energy: -3.778 local terms energy: -822.316477 where: bonds (distance) C4'-P energy: -146.325 bonds (distance) P-C4' energy: -133.710 flat angles C4'-P-C4' energy: -167.422 flat angles P-C4'-P energy: -123.569 tors. eta vs tors. theta energy: -251.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2595.919457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.919457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.919457 (E_RNA) where: Base-Base interactions energy: -1824.356 where: short stacking energy: -751.161 Base-Backbone interact. energy: -3.913 local terms energy: -767.650796 where: bonds (distance) C4'-P energy: -135.018 bonds (distance) P-C4' energy: -143.405 flat angles C4'-P-C4' energy: -158.497 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -222.692 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: 397 Temperature: 1.000000 Total energy: -2518.420605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.420605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.420605 (E_RNA) where: Base-Base interactions energy: -1761.088 where: short stacking energy: -739.408 Base-Backbone interact. energy: -0.528 local terms energy: -756.804860 where: bonds (distance) C4'-P energy: -139.971 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -167.232 flat angles P-C4'-P energy: -109.382 tors. eta vs tors. theta energy: -205.298 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: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2308.347664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.347664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.347664 (E_RNA) where: Base-Base interactions energy: -1596.743 where: short stacking energy: -687.690 Base-Backbone interact. energy: -4.683 local terms energy: -706.921755 where: bonds (distance) C4'-P energy: -126.940 bonds (distance) P-C4' energy: -134.475 flat angles C4'-P-C4' energy: -158.699 flat angles P-C4'-P energy: -96.993 tors. eta vs tors. theta energy: -189.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2114.160552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.160552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.160552 (E_RNA) where: Base-Base interactions energy: -1472.985 where: short stacking energy: -629.841 Base-Backbone interact. energy: -3.581 local terms energy: -637.594770 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -155.331 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -155.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1989.052109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.052109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.052109 (E_RNA) where: Base-Base interactions energy: -1351.766 where: short stacking energy: -572.630 Base-Backbone interact. energy: -4.071 local terms energy: -633.216028 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -114.084 flat angles C4'-P-C4' energy: -152.649 flat angles P-C4'-P energy: -93.786 tors. eta vs tors. theta energy: -143.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1819.193370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.193370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.193370 (E_RNA) where: Base-Base interactions energy: -1182.769 where: short stacking energy: -561.302 Base-Backbone interact. energy: 2.930 local terms energy: -639.354318 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -134.564 flat angles C4'-P-C4' energy: -130.967 flat angles P-C4'-P energy: -77.677 tors. eta vs tors. theta energy: -150.694 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: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1550.296198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.296198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.296198 (E_RNA) where: Base-Base interactions energy: -1061.094 where: short stacking energy: -490.791 Base-Backbone interact. energy: -2.432 local terms energy: -486.769702 where: bonds (distance) C4'-P energy: -103.581 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -121.884 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -101.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1392.881275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.881275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.881275 (E_RNA) where: Base-Base interactions energy: -903.026 where: short stacking energy: -382.493 Base-Backbone interact. energy: -3.463 local terms energy: -486.392601 where: bonds (distance) C4'-P energy: -110.770 bonds (distance) P-C4' energy: -130.915 flat angles C4'-P-C4' energy: -119.255 flat angles P-C4'-P energy: -54.115 tors. eta vs tors. theta energy: -71.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -999.979774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.979774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.979774 (E_RNA) where: Base-Base interactions energy: -571.619 where: short stacking energy: -282.111 Base-Backbone interact. energy: 0.040 local terms energy: -428.401506 where: bonds (distance) C4'-P energy: -120.055 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -109.063 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -16.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2817.675605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.675605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.675605 (E_RNA) where: Base-Base interactions energy: -1984.066 where: short stacking energy: -846.315 Base-Backbone interact. energy: -3.334 local terms energy: -830.276252 where: bonds (distance) C4'-P energy: -141.940 bonds (distance) P-C4' energy: -142.940 flat angles C4'-P-C4' energy: -182.885 flat angles P-C4'-P energy: -108.975 tors. eta vs tors. theta energy: -253.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2610.411126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.411126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.411126 (E_RNA) where: Base-Base interactions energy: -1818.341 where: short stacking energy: -738.687 Base-Backbone interact. energy: -1.800 local terms energy: -790.270094 where: bonds (distance) C4'-P energy: -138.926 bonds (distance) P-C4' energy: -148.517 flat angles C4'-P-C4' energy: -176.231 flat angles P-C4'-P energy: -103.956 tors. eta vs tors. theta energy: -222.639 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: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2572.511375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.511375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.511375 (E_RNA) where: Base-Base interactions energy: -1822.636 where: short stacking energy: -748.866 Base-Backbone interact. energy: 0.735 local terms energy: -750.610412 where: bonds (distance) C4'-P energy: -143.210 bonds (distance) P-C4' energy: -128.677 flat angles C4'-P-C4' energy: -161.254 flat angles P-C4'-P energy: -111.280 tors. eta vs tors. theta energy: -206.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2314.454442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.454442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.454442 (E_RNA) where: Base-Base interactions energy: -1584.041 where: short stacking energy: -683.000 Base-Backbone interact. energy: -2.865 local terms energy: -727.548429 where: bonds (distance) C4'-P energy: -136.153 bonds (distance) P-C4' energy: -132.472 flat angles C4'-P-C4' energy: -157.268 flat angles P-C4'-P energy: -85.651 tors. eta vs tors. theta energy: -216.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2136.099543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.099543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.099543 (E_RNA) where: Base-Base interactions energy: -1435.754 where: short stacking energy: -622.193 Base-Backbone interact. energy: -0.258 local terms energy: -700.087764 where: bonds (distance) C4'-P energy: -135.412 bonds (distance) P-C4' energy: -144.940 flat angles C4'-P-C4' energy: -145.279 flat angles P-C4'-P energy: -104.380 tors. eta vs tors. theta energy: -170.077 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: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2023.641525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.641525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.641525 (E_RNA) where: Base-Base interactions energy: -1385.219 where: short stacking energy: -595.282 Base-Backbone interact. energy: -0.691 local terms energy: -637.731290 where: bonds (distance) C4'-P energy: -118.874 bonds (distance) P-C4' energy: -126.732 flat angles C4'-P-C4' energy: -142.344 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -158.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1831.313667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.313667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.313667 (E_RNA) where: Base-Base interactions energy: -1190.940 where: short stacking energy: -539.767 Base-Backbone interact. energy: -1.773 local terms energy: -638.599937 where: bonds (distance) C4'-P energy: -112.598 bonds (distance) P-C4' energy: -145.540 flat angles C4'-P-C4' energy: -144.395 flat angles P-C4'-P energy: -94.729 tors. eta vs tors. theta energy: -141.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1492.140669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.140669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.140669 (E_RNA) where: Base-Base interactions energy: -966.779 where: short stacking energy: -403.290 Base-Backbone interact. energy: 1.692 local terms energy: -527.054097 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -117.998 flat angles C4'-P-C4' energy: -131.316 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -82.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1371.600397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.600397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.600397 (E_RNA) where: Base-Base interactions energy: -880.079 where: short stacking energy: -405.760 Base-Backbone interact. energy: 3.661 local terms energy: -495.181604 where: bonds (distance) C4'-P energy: -116.375 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -100.664 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -86.519 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: 398 Temperature: 1.350000 Total energy: -1009.215270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.215270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.215270 (E_RNA) where: Base-Base interactions energy: -564.174 where: short stacking energy: -251.528 Base-Backbone interact. energy: 3.616 local terms energy: -448.657287 where: bonds (distance) C4'-P energy: -102.721 bonds (distance) P-C4' energy: -128.850 flat angles C4'-P-C4' energy: -107.042 flat angles P-C4'-P energy: -85.227 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2802.128807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.128807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.128807 (E_RNA) where: Base-Base interactions energy: -1964.485 where: short stacking energy: -833.514 Base-Backbone interact. energy: -2.759 local terms energy: -834.885145 where: bonds (distance) C4'-P energy: -147.436 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -165.458 flat angles P-C4'-P energy: -126.726 tors. eta vs tors. theta energy: -250.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2601.383427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.383427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.383427 (E_RNA) where: Base-Base interactions energy: -1813.683 where: short stacking energy: -735.402 Base-Backbone interact. energy: -3.297 local terms energy: -784.402681 where: bonds (distance) C4'-P energy: -128.305 bonds (distance) P-C4' energy: -141.773 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -111.139 tors. eta vs tors. theta energy: -232.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2554.217919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.217919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.217919 (E_RNA) where: Base-Base interactions energy: -1782.334 where: short stacking energy: -737.293 Base-Backbone interact. energy: -6.911 local terms energy: -764.972221 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -165.941 flat angles P-C4'-P energy: -104.291 tors. eta vs tors. theta energy: -209.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2337.948151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.948151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.948151 (E_RNA) where: Base-Base interactions energy: -1583.693 where: short stacking energy: -672.345 Base-Backbone interact. energy: -3.550 local terms energy: -750.704997 where: bonds (distance) C4'-P energy: -155.349 bonds (distance) P-C4' energy: -145.866 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -100.638 tors. eta vs tors. theta energy: -195.348 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: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2164.249421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.249421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.249421 (E_RNA) where: Base-Base interactions energy: -1491.094 where: short stacking energy: -635.871 Base-Backbone interact. energy: -2.469 local terms energy: -670.686425 where: bonds (distance) C4'-P energy: -132.720 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -134.755 flat angles P-C4'-P energy: -97.506 tors. eta vs tors. theta energy: -171.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1961.934146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.934146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.934146 (E_RNA) where: Base-Base interactions energy: -1317.907 where: short stacking energy: -556.240 Base-Backbone interact. energy: -2.349 local terms energy: -641.678724 where: bonds (distance) C4'-P energy: -134.717 bonds (distance) P-C4' energy: -137.953 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -77.030 tors. eta vs tors. theta energy: -145.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1802.594519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.594519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.594519 (E_RNA) where: Base-Base interactions energy: -1204.296 where: short stacking energy: -529.209 Base-Backbone interact. energy: -0.792 local terms energy: -597.506848 where: bonds (distance) C4'-P energy: -131.480 bonds (distance) P-C4' energy: -102.483 flat angles C4'-P-C4' energy: -130.843 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -142.620 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: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1507.385044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.385044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.385044 (E_RNA) where: Base-Base interactions energy: -971.510 where: short stacking energy: -425.093 Base-Backbone interact. energy: 2.548 local terms energy: -538.423029 where: bonds (distance) C4'-P energy: -105.693 bonds (distance) P-C4' energy: -138.379 flat angles C4'-P-C4' energy: -129.337 flat angles P-C4'-P energy: -79.597 tors. eta vs tors. theta energy: -85.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1422.417932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.417932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.417932 (E_RNA) where: Base-Base interactions energy: -872.437 where: short stacking energy: -381.892 Base-Backbone interact. energy: 1.922 local terms energy: -551.902986 where: bonds (distance) C4'-P energy: -117.850 bonds (distance) P-C4' energy: -120.036 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -75.415 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: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1066.551697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.551697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.551697 (E_RNA) where: Base-Base interactions energy: -640.730 where: short stacking energy: -291.218 Base-Backbone interact. energy: 3.112 local terms energy: -428.933870 where: bonds (distance) C4'-P energy: -108.975 bonds (distance) P-C4' energy: -132.217 flat angles C4'-P-C4' energy: -106.965 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -29.777 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: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2826.778066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.778066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.778066 (E_RNA) where: Base-Base interactions energy: -1961.921 where: short stacking energy: -822.940 Base-Backbone interact. energy: -2.335 local terms energy: -862.521991 where: bonds (distance) C4'-P energy: -158.164 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -169.520 flat angles P-C4'-P energy: -121.599 tors. eta vs tors. theta energy: -259.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2611.872169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.872169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.872169 (E_RNA) where: Base-Base interactions energy: -1817.079 where: short stacking energy: -717.685 Base-Backbone interact. energy: -1.562 local terms energy: -793.231481 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -146.490 flat angles C4'-P-C4' energy: -171.429 flat angles P-C4'-P energy: -105.730 tors. eta vs tors. theta energy: -224.831 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2601.165069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.165069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.165069 (E_RNA) where: Base-Base interactions energy: -1836.840 where: short stacking energy: -766.362 Base-Backbone interact. energy: -3.508 local terms energy: -760.817407 where: bonds (distance) C4'-P energy: -146.758 bonds (distance) P-C4' energy: -133.514 flat angles C4'-P-C4' energy: -169.229 flat angles P-C4'-P energy: -98.296 tors. eta vs tors. theta energy: -213.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2290.536136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.536136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.536136 (E_RNA) where: Base-Base interactions energy: -1566.668 where: short stacking energy: -672.970 Base-Backbone interact. energy: -4.120 local terms energy: -719.747753 where: bonds (distance) C4'-P energy: -136.218 bonds (distance) P-C4' energy: -134.471 flat angles C4'-P-C4' energy: -154.234 flat angles P-C4'-P energy: -99.632 tors. eta vs tors. theta energy: -195.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2167.753652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.753652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.753652 (E_RNA) where: Base-Base interactions energy: -1475.429 where: short stacking energy: -629.561 Base-Backbone interact. energy: -2.669 local terms energy: -689.656378 where: bonds (distance) C4'-P energy: -113.863 bonds (distance) P-C4' energy: -152.929 flat angles C4'-P-C4' energy: -168.289 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -156.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1923.413175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.413175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.413175 (E_RNA) where: Base-Base interactions energy: -1288.837 where: short stacking energy: -573.392 Base-Backbone interact. energy: -3.272 local terms energy: -631.304606 where: bonds (distance) C4'-P energy: -128.170 bonds (distance) P-C4' energy: -117.330 flat angles C4'-P-C4' energy: -148.069 flat angles P-C4'-P energy: -91.399 tors. eta vs tors. theta energy: -146.336 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: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1848.880730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.880730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.880730 (E_RNA) where: Base-Base interactions energy: -1253.376 where: short stacking energy: -580.970 Base-Backbone interact. energy: -0.434 local terms energy: -595.070665 where: bonds (distance) C4'-P energy: -100.045 bonds (distance) P-C4' energy: -132.838 flat angles C4'-P-C4' energy: -136.583 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -159.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1544.886115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.886115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.886115 (E_RNA) where: Base-Base interactions energy: -994.397 where: short stacking energy: -452.168 Base-Backbone interact. energy: 0.308 local terms energy: -550.797727 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -134.036 flat angles C4'-P-C4' energy: -138.165 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -74.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1371.067980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.067980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.067980 (E_RNA) where: Base-Base interactions energy: -862.134 where: short stacking energy: -392.461 Base-Backbone interact. energy: -0.535 local terms energy: -508.398316 where: bonds (distance) C4'-P energy: -114.597 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -132.046 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -60.480 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: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1090.771295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.771295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.771295 (E_RNA) where: Base-Base interactions energy: -646.112 where: short stacking energy: -300.112 Base-Backbone interact. energy: -3.084 local terms energy: -441.575646 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -118.671 flat angles C4'-P-C4' energy: -112.244 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: -23.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2820.792905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.792905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.792905 (E_RNA) where: Base-Base interactions energy: -1974.990 where: short stacking energy: -826.021 Base-Backbone interact. energy: -1.340 local terms energy: -844.462685 where: bonds (distance) C4'-P energy: -140.769 bonds (distance) P-C4' energy: -160.286 flat angles C4'-P-C4' energy: -176.580 flat angles P-C4'-P energy: -121.804 tors. eta vs tors. theta energy: -245.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2594.568812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.568812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.568812 (E_RNA) where: Base-Base interactions energy: -1788.099 where: short stacking energy: -775.674 Base-Backbone interact. energy: -0.940 local terms energy: -805.529912 where: bonds (distance) C4'-P energy: -156.782 bonds (distance) P-C4' energy: -136.041 flat angles C4'-P-C4' energy: -170.133 flat angles P-C4'-P energy: -114.506 tors. eta vs tors. theta energy: -228.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2521.923815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.923815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.923815 (E_RNA) where: Base-Base interactions energy: -1758.312 where: short stacking energy: -712.029 Base-Backbone interact. energy: -2.355 local terms energy: -761.256838 where: bonds (distance) C4'-P energy: -138.350 bonds (distance) P-C4' energy: -151.974 flat angles C4'-P-C4' energy: -168.810 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -200.276 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: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2297.499478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.499478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.499478 (E_RNA) where: Base-Base interactions energy: -1574.865 where: short stacking energy: -660.027 Base-Backbone interact. energy: -3.253 local terms energy: -719.381379 where: bonds (distance) C4'-P energy: -137.002 bonds (distance) P-C4' energy: -133.985 flat angles C4'-P-C4' energy: -160.533 flat angles P-C4'-P energy: -102.189 tors. eta vs tors. theta energy: -185.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2153.886181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.886181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.886181 (E_RNA) where: Base-Base interactions energy: -1483.021 where: short stacking energy: -596.119 Base-Backbone interact. energy: -2.464 local terms energy: -668.401465 where: bonds (distance) C4'-P energy: -133.836 bonds (distance) P-C4' energy: -145.513 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -149.420 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: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1920.419735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.419735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.419735 (E_RNA) where: Base-Base interactions energy: -1314.350 where: short stacking energy: -542.775 Base-Backbone interact. energy: -1.155 local terms energy: -604.914636 where: bonds (distance) C4'-P energy: -121.001 bonds (distance) P-C4' energy: -120.166 flat angles C4'-P-C4' energy: -147.750 flat angles P-C4'-P energy: -80.695 tors. eta vs tors. theta energy: -135.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1704.590572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.590572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.590572 (E_RNA) where: Base-Base interactions energy: -1116.922 where: short stacking energy: -490.948 Base-Backbone interact. energy: -0.639 local terms energy: -587.028703 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -129.019 flat angles C4'-P-C4' energy: -140.571 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -111.959 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: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1575.000272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.000272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.000272 (E_RNA) where: Base-Base interactions energy: -1027.232 where: short stacking energy: -449.614 Base-Backbone interact. energy: -1.617 local terms energy: -546.150750 where: bonds (distance) C4'-P energy: -122.115 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -134.945 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -104.471 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: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1401.081810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.081810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.081810 (E_RNA) where: Base-Base interactions energy: -895.430 where: short stacking energy: -388.190 Base-Backbone interact. energy: -0.885 local terms energy: -504.766724 where: bonds (distance) C4'-P energy: -123.168 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -114.014 flat angles P-C4'-P energy: -72.498 tors. eta vs tors. theta energy: -63.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1098.725798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.725798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.725798 (E_RNA) where: Base-Base interactions energy: -647.610 where: short stacking energy: -278.539 Base-Backbone interact. energy: -0.657 local terms energy: -450.459095 where: bonds (distance) C4'-P energy: -120.690 bonds (distance) P-C4' energy: -125.243 flat angles C4'-P-C4' energy: -112.664 flat angles P-C4'-P energy: -70.106 tors. eta vs tors. theta energy: -21.755 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: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2805.899301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.899301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.899301 (E_RNA) where: Base-Base interactions energy: -1978.010 where: short stacking energy: -804.879 Base-Backbone interact. energy: -0.036 local terms energy: -827.854076 where: bonds (distance) C4'-P energy: -144.400 bonds (distance) P-C4' energy: -140.311 flat angles C4'-P-C4' energy: -172.105 flat angles P-C4'-P energy: -112.950 tors. eta vs tors. theta energy: -258.088 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: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2599.793107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.793107 (E_RNA) where: Base-Base interactions energy: -1803.058 where: short stacking energy: -753.288 Base-Backbone interact. energy: -6.603 local terms energy: -790.132443 where: bonds (distance) C4'-P energy: -151.054 bonds (distance) P-C4' energy: -144.897 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -109.731 tors. eta vs tors. theta energy: -224.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2571.565969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.565969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.565969 (E_RNA) where: Base-Base interactions energy: -1790.805 where: short stacking energy: -760.821 Base-Backbone interact. energy: -3.570 local terms energy: -777.191163 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -144.013 flat angles C4'-P-C4' energy: -160.246 flat angles P-C4'-P energy: -111.240 tors. eta vs tors. theta energy: -219.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2321.292555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.292555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.292555 (E_RNA) where: Base-Base interactions energy: -1588.410 where: short stacking energy: -684.113 Base-Backbone interact. energy: -5.169 local terms energy: -727.713315 where: bonds (distance) C4'-P energy: -133.179 bonds (distance) P-C4' energy: -137.433 flat angles C4'-P-C4' energy: -159.720 flat angles P-C4'-P energy: -103.928 tors. eta vs tors. theta energy: -193.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2193.170798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.170798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.170798 (E_RNA) where: Base-Base interactions energy: -1487.466 where: short stacking energy: -642.738 Base-Backbone interact. energy: -3.370 local terms energy: -702.334634 where: bonds (distance) C4'-P energy: -114.509 bonds (distance) P-C4' energy: -158.126 flat angles C4'-P-C4' energy: -165.374 flat angles P-C4'-P energy: -100.801 tors. eta vs tors. theta energy: -163.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1994.776421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.776421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.776421 (E_RNA) where: Base-Base interactions energy: -1356.771 where: short stacking energy: -595.804 Base-Backbone interact. energy: -3.402 local terms energy: -634.603138 where: bonds (distance) C4'-P energy: -124.492 bonds (distance) P-C4' energy: -128.666 flat angles C4'-P-C4' energy: -150.027 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -138.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1576.282001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.282001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.282001 (E_RNA) where: Base-Base interactions energy: -1011.239 where: short stacking energy: -444.333 Base-Backbone interact. energy: -3.671 local terms energy: -561.371801 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -127.895 flat angles C4'-P-C4' energy: -126.337 flat angles P-C4'-P energy: -89.585 tors. eta vs tors. theta energy: -88.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1606.332401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.332401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.332401 (E_RNA) where: Base-Base interactions energy: -1047.641 where: short stacking energy: -470.950 Base-Backbone interact. energy: 1.047 local terms energy: -559.738171 where: bonds (distance) C4'-P energy: -121.096 bonds (distance) P-C4' energy: -130.561 flat angles C4'-P-C4' energy: -130.304 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: -101.325 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: 402 Temperature: 1.300000 Total energy: -1359.550774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.550774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.550774 (E_RNA) where: Base-Base interactions energy: -870.940 where: short stacking energy: -393.084 Base-Backbone interact. energy: -1.353 local terms energy: -487.257721 where: bonds (distance) C4'-P energy: -114.476 bonds (distance) P-C4' energy: -115.430 flat angles C4'-P-C4' energy: -114.838 flat angles P-C4'-P energy: -81.235 tors. eta vs tors. theta energy: -61.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1157.225874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.225874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.225874 (E_RNA) where: Base-Base interactions energy: -698.454 where: short stacking energy: -320.658 Base-Backbone interact. energy: -1.511 local terms energy: -457.260362 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -125.537 flat angles C4'-P-C4' energy: -103.159 flat angles P-C4'-P energy: -60.328 tors. eta vs tors. theta energy: -55.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2805.514065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.514065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.514065 (E_RNA) where: Base-Base interactions energy: -1965.761 where: short stacking energy: -817.445 Base-Backbone interact. energy: -0.623 local terms energy: -839.130058 where: bonds (distance) C4'-P energy: -143.514 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -176.489 flat angles P-C4'-P energy: -124.351 tors. eta vs tors. theta energy: -248.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2555.060231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.060231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.060231 (E_RNA) where: Base-Base interactions energy: -1796.738 where: short stacking energy: -759.106 Base-Backbone interact. energy: 1.892 local terms energy: -760.214080 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -165.410 flat angles P-C4'-P energy: -112.470 tors. eta vs tors. theta energy: -228.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2576.600369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.600369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.600369 (E_RNA) where: Base-Base interactions energy: -1819.086 where: short stacking energy: -749.208 Base-Backbone interact. energy: 2.539 local terms energy: -760.052774 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -167.387 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -201.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2328.627242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.627242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.627242 (E_RNA) where: Base-Base interactions energy: -1621.776 where: short stacking energy: -681.391 Base-Backbone interact. energy: -3.402 local terms energy: -703.448626 where: bonds (distance) C4'-P energy: -104.802 bonds (distance) P-C4' energy: -126.587 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -198.221 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2142.039439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.039439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.039439 (E_RNA) where: Base-Base interactions energy: -1464.427 where: short stacking energy: -640.496 Base-Backbone interact. energy: 2.672 local terms energy: -680.284706 where: bonds (distance) C4'-P energy: -118.926 bonds (distance) P-C4' energy: -140.157 flat angles C4'-P-C4' energy: -150.353 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -175.841 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2055.049390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.049390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.049390 (E_RNA) where: Base-Base interactions energy: -1378.714 where: short stacking energy: -594.123 Base-Backbone interact. energy: -5.276 local terms energy: -671.058755 where: bonds (distance) C4'-P energy: -136.082 bonds (distance) P-C4' energy: -134.873 flat angles C4'-P-C4' energy: -147.393 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -157.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1698.360116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.360116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.360116 (E_RNA) where: Base-Base interactions energy: -1110.834 where: short stacking energy: -464.143 Base-Backbone interact. energy: -1.130 local terms energy: -586.395604 where: bonds (distance) C4'-P energy: -124.741 bonds (distance) P-C4' energy: -141.321 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -101.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1487.508266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.508266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.508266 (E_RNA) where: Base-Base interactions energy: -949.244 where: short stacking energy: -426.486 Base-Backbone interact. energy: 0.836 local terms energy: -539.100667 where: bonds (distance) C4'-P energy: -121.378 bonds (distance) P-C4' energy: -116.173 flat angles C4'-P-C4' energy: -138.044 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -85.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1398.622748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.622748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.622748 (E_RNA) where: Base-Base interactions energy: -894.743 where: short stacking energy: -384.790 Base-Backbone interact. energy: 2.870 local terms energy: -506.750104 where: bonds (distance) C4'-P energy: -110.262 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -82.850 tors. eta vs tors. theta energy: -68.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1136.410922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.410922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.410922 (E_RNA) where: Base-Base interactions energy: -690.705 where: short stacking energy: -337.155 Base-Backbone interact. energy: 4.278 local terms energy: -449.984116 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -120.090 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -57.430 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2787.808031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.808031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.808031 (E_RNA) where: Base-Base interactions energy: -1956.729 where: short stacking energy: -821.793 Base-Backbone interact. energy: -4.104 local terms energy: -826.975529 where: bonds (distance) C4'-P energy: -141.835 bonds (distance) P-C4' energy: -137.061 flat angles C4'-P-C4' energy: -177.766 flat angles P-C4'-P energy: -117.358 tors. eta vs tors. theta energy: -252.955 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: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2528.142105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.142105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.142105 (E_RNA) where: Base-Base interactions energy: -1763.051 where: short stacking energy: -742.396 Base-Backbone interact. energy: -0.589 local terms energy: -764.502418 where: bonds (distance) C4'-P energy: -138.825 bonds (distance) P-C4' energy: -140.667 flat angles C4'-P-C4' energy: -172.720 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -211.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2569.609374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.609374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.609374 (E_RNA) where: Base-Base interactions energy: -1841.405 where: short stacking energy: -738.256 Base-Backbone interact. energy: -4.755 local terms energy: -723.449410 where: bonds (distance) C4'-P energy: -130.770 bonds (distance) P-C4' energy: -139.255 flat angles C4'-P-C4' energy: -154.678 flat angles P-C4'-P energy: -94.257 tors. eta vs tors. theta energy: -204.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2337.459356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.459356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.459356 (E_RNA) where: Base-Base interactions energy: -1602.165 where: short stacking energy: -656.771 Base-Backbone interact. energy: -3.840 local terms energy: -731.454586 where: bonds (distance) C4'-P energy: -138.390 bonds (distance) P-C4' energy: -147.575 flat angles C4'-P-C4' energy: -162.356 flat angles P-C4'-P energy: -101.000 tors. eta vs tors. theta energy: -182.135 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: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2142.930768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.930768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.930768 (E_RNA) where: Base-Base interactions energy: -1457.325 where: short stacking energy: -609.922 Base-Backbone interact. energy: -2.161 local terms energy: -683.444365 where: bonds (distance) C4'-P energy: -155.027 bonds (distance) P-C4' energy: -126.073 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -152.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2033.384167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.384167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.384167 (E_RNA) where: Base-Base interactions energy: -1420.591 where: short stacking energy: -591.903 Base-Backbone interact. energy: 0.366 local terms energy: -613.159244 where: bonds (distance) C4'-P energy: -134.270 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -116.070 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -137.841 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1647.108679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.108679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.108679 (E_RNA) where: Base-Base interactions energy: -1084.878 where: short stacking energy: -474.949 Base-Backbone interact. energy: 2.796 local terms energy: -565.026773 where: bonds (distance) C4'-P energy: -130.663 bonds (distance) P-C4' energy: -132.901 flat angles C4'-P-C4' energy: -130.398 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -97.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1425.591021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.591021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.591021 (E_RNA) where: Base-Base interactions energy: -895.840 where: short stacking energy: -436.524 Base-Backbone interact. energy: 3.172 local terms energy: -532.923491 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -132.570 flat angles C4'-P-C4' energy: -129.274 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -92.935 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: 404 Temperature: 1.300000 Total energy: -1407.154929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.154929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.154929 (E_RNA) where: Base-Base interactions energy: -924.142 where: short stacking energy: -406.239 Base-Backbone interact. energy: -1.736 local terms energy: -481.277683 where: bonds (distance) C4'-P energy: -112.247 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -122.820 flat angles P-C4'-P energy: -67.706 tors. eta vs tors. theta energy: -56.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1097.482380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.482380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.482380 (E_RNA) where: Base-Base interactions energy: -644.868 where: short stacking energy: -348.242 Base-Backbone interact. energy: 2.644 local terms energy: -455.258555 where: bonds (distance) C4'-P energy: -113.362 bonds (distance) P-C4' energy: -129.117 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -56.222 tors. eta vs tors. theta energy: -44.823 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: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2808.042949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.042949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.042949 (E_RNA) where: Base-Base interactions energy: -1979.458 where: short stacking energy: -833.866 Base-Backbone interact. energy: -2.689 local terms energy: -825.896627 where: bonds (distance) C4'-P energy: -148.711 bonds (distance) P-C4' energy: -149.088 flat angles C4'-P-C4' energy: -171.445 flat angles P-C4'-P energy: -109.098 tors. eta vs tors. theta energy: -247.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2561.951928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.951928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.951928 (E_RNA) where: Base-Base interactions energy: -1788.214 where: short stacking energy: -761.116 Base-Backbone interact. energy: 0.824 local terms energy: -774.562310 where: bonds (distance) C4'-P energy: -138.446 bonds (distance) P-C4' energy: -139.437 flat angles C4'-P-C4' energy: -163.676 flat angles P-C4'-P energy: -106.592 tors. eta vs tors. theta energy: -226.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2512.920140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.920140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.920140 (E_RNA) where: Base-Base interactions energy: -1789.044 where: short stacking energy: -754.877 Base-Backbone interact. energy: 5.193 local terms energy: -729.068172 where: bonds (distance) C4'-P energy: -132.803 bonds (distance) P-C4' energy: -139.502 flat angles C4'-P-C4' energy: -159.200 flat angles P-C4'-P energy: -94.204 tors. eta vs tors. theta energy: -203.359 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: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2327.082100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.082100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.082100 (E_RNA) where: Base-Base interactions energy: -1624.956 where: short stacking energy: -690.093 Base-Backbone interact. energy: -3.208 local terms energy: -698.918602 where: bonds (distance) C4'-P energy: -142.321 bonds (distance) P-C4' energy: -131.057 flat angles C4'-P-C4' energy: -145.523 flat angles P-C4'-P energy: -95.868 tors. eta vs tors. theta energy: -184.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2134.906250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.906250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.906250 (E_RNA) where: Base-Base interactions energy: -1488.091 where: short stacking energy: -641.856 Base-Backbone interact. energy: -4.440 local terms energy: -642.375163 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -131.011 flat angles C4'-P-C4' energy: -144.899 flat angles P-C4'-P energy: -84.646 tors. eta vs tors. theta energy: -155.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2044.431736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.431736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.431736 (E_RNA) where: Base-Base interactions energy: -1412.021 where: short stacking energy: -593.126 Base-Backbone interact. energy: -0.189 local terms energy: -632.222111 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -147.202 flat angles P-C4'-P energy: -80.554 tors. eta vs tors. theta energy: -153.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1591.737274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.737274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.737274 (E_RNA) where: Base-Base interactions energy: -1025.785 where: short stacking energy: -453.701 Base-Backbone interact. energy: -6.364 local terms energy: -559.588719 where: bonds (distance) C4'-P energy: -129.412 bonds (distance) P-C4' energy: -122.407 flat angles C4'-P-C4' energy: -134.257 flat angles P-C4'-P energy: -76.582 tors. eta vs tors. theta energy: -96.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1512.951004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.951004 (E_RNA) where: Base-Base interactions energy: -999.935 where: short stacking energy: -448.475 Base-Backbone interact. energy: 3.223 local terms energy: -516.238817 where: bonds (distance) C4'-P energy: -97.913 bonds (distance) P-C4' energy: -138.631 flat angles C4'-P-C4' energy: -113.926 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -89.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1363.834205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.834205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.834205 (E_RNA) where: Base-Base interactions energy: -855.246 where: short stacking energy: -385.396 Base-Backbone interact. energy: -3.111 local terms energy: -505.476475 where: bonds (distance) C4'-P energy: -117.998 bonds (distance) P-C4' energy: -119.494 flat angles C4'-P-C4' energy: -126.959 flat angles P-C4'-P energy: -68.823 tors. eta vs tors. theta energy: -72.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1044.681947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.681947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.681947 (E_RNA) where: Base-Base interactions energy: -612.122 where: short stacking energy: -325.094 Base-Backbone interact. energy: -1.803 local terms energy: -430.756708 where: bonds (distance) C4'-P energy: -107.468 bonds (distance) P-C4' energy: -128.693 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -32.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2829.280338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.280338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.280338 (E_RNA) where: Base-Base interactions energy: -1974.208 where: short stacking energy: -830.187 Base-Backbone interact. energy: -4.611 local terms energy: -850.461388 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -162.126 flat angles C4'-P-C4' energy: -173.932 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -246.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2607.484298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.484298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.484298 (E_RNA) where: Base-Base interactions energy: -1825.289 where: short stacking energy: -782.697 Base-Backbone interact. energy: 2.034 local terms energy: -784.228788 where: bonds (distance) C4'-P energy: -144.781 bonds (distance) P-C4' energy: -141.101 flat angles C4'-P-C4' energy: -166.915 flat angles P-C4'-P energy: -107.339 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: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2538.764672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.764672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.764672 (E_RNA) where: Base-Base interactions energy: -1794.089 where: short stacking energy: -778.216 Base-Backbone interact. energy: 1.474 local terms energy: -746.149819 where: bonds (distance) C4'-P energy: -141.065 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -167.082 flat angles P-C4'-P energy: -95.352 tors. eta vs tors. theta energy: -205.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2288.700005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.700005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.700005 (E_RNA) where: Base-Base interactions energy: -1555.256 where: short stacking energy: -701.175 Base-Backbone interact. energy: -2.471 local terms energy: -730.973698 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -130.153 flat angles C4'-P-C4' energy: -171.417 flat angles P-C4'-P energy: -107.936 tors. eta vs tors. theta energy: -194.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2110.385107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.385107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.385107 (E_RNA) where: Base-Base interactions energy: -1439.512 where: short stacking energy: -614.256 Base-Backbone interact. energy: 1.239 local terms energy: -672.112503 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -121.826 flat angles C4'-P-C4' energy: -149.954 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -164.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2040.311202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.311202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.311202 (E_RNA) where: Base-Base interactions energy: -1422.740 where: short stacking energy: -617.949 Base-Backbone interact. energy: -2.226 local terms energy: -615.344966 where: bonds (distance) C4'-P energy: -119.799 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -134.182 flat angles P-C4'-P energy: -87.234 tors. eta vs tors. theta energy: -139.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1587.717442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.717442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.717442 (E_RNA) where: Base-Base interactions energy: -1018.068 where: short stacking energy: -461.588 Base-Backbone interact. energy: -1.044 local terms energy: -568.605628 where: bonds (distance) C4'-P energy: -115.548 bonds (distance) P-C4' energy: -125.322 flat angles C4'-P-C4' energy: -143.129 flat angles P-C4'-P energy: -74.822 tors. eta vs tors. theta energy: -109.785 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: 406 Temperature: 1.250000 Total energy: -1520.278066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.278066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.278066 (E_RNA) where: Base-Base interactions energy: -989.631 where: short stacking energy: -436.519 Base-Backbone interact. energy: 1.401 local terms energy: -532.047418 where: bonds (distance) C4'-P energy: -107.431 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -73.767 tors. eta vs tors. theta energy: -92.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1285.332656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.332656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.332656 (E_RNA) where: Base-Base interactions energy: -814.857 where: short stacking energy: -354.808 Base-Backbone interact. energy: 0.694 local terms energy: -471.168777 where: bonds (distance) C4'-P energy: -113.375 bonds (distance) P-C4' energy: -131.830 flat angles C4'-P-C4' energy: -109.908 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -45.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1120.980630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.980630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.980630 (E_RNA) where: Base-Base interactions energy: -666.539 where: short stacking energy: -308.286 Base-Backbone interact. energy: -1.874 local terms energy: -452.567356 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -120.367 flat angles C4'-P-C4' energy: -104.281 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -57.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2812.793302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.793302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.793302 (E_RNA) where: Base-Base interactions energy: -1975.452 where: short stacking energy: -822.242 Base-Backbone interact. energy: -3.868 local terms energy: -833.472599 where: bonds (distance) C4'-P energy: -151.807 bonds (distance) P-C4' energy: -151.769 flat angles C4'-P-C4' energy: -168.581 flat angles P-C4'-P energy: -112.413 tors. eta vs tors. theta energy: -248.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2597.483281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.483281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.483281 (E_RNA) where: Base-Base interactions energy: -1790.682 where: short stacking energy: -775.186 Base-Backbone interact. energy: 1.544 local terms energy: -808.345439 where: bonds (distance) C4'-P energy: -139.588 bonds (distance) P-C4' energy: -158.819 flat angles C4'-P-C4' energy: -170.144 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -228.778 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: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2535.450049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.450049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.450049 (E_RNA) where: Base-Base interactions energy: -1780.147 where: short stacking energy: -729.172 Base-Backbone interact. energy: -1.364 local terms energy: -753.939258 where: bonds (distance) C4'-P energy: -134.280 bonds (distance) P-C4' energy: -149.205 flat angles C4'-P-C4' energy: -170.163 flat angles P-C4'-P energy: -100.670 tors. eta vs tors. theta energy: -199.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2274.678123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.678123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.678123 (E_RNA) where: Base-Base interactions energy: -1552.453 where: short stacking energy: -659.008 Base-Backbone interact. energy: -0.679 local terms energy: -721.546442 where: bonds (distance) C4'-P energy: -134.962 bonds (distance) P-C4' energy: -142.173 flat angles C4'-P-C4' energy: -162.904 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -189.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2175.795744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.795744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.795744 (E_RNA) where: Base-Base interactions energy: -1498.105 where: short stacking energy: -642.540 Base-Backbone interact. energy: -1.073 local terms energy: -676.618106 where: bonds (distance) C4'-P energy: -141.147 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -141.604 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -169.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1933.727782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.727782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.727782 (E_RNA) where: Base-Base interactions energy: -1300.730 where: short stacking energy: -562.002 Base-Backbone interact. energy: -0.475 local terms energy: -632.523186 where: bonds (distance) C4'-P energy: -120.302 bonds (distance) P-C4' energy: -138.986 flat angles C4'-P-C4' energy: -149.386 flat angles P-C4'-P energy: -90.927 tors. eta vs tors. theta energy: -132.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1664.083405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.083405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.083405 (E_RNA) where: Base-Base interactions energy: -1061.892 where: short stacking energy: -480.672 Base-Backbone interact. energy: -2.390 local terms energy: -599.801178 where: bonds (distance) C4'-P energy: -134.972 bonds (distance) P-C4' energy: -121.901 flat angles C4'-P-C4' energy: -131.508 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -117.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1511.231361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.231361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.231361 (E_RNA) where: Base-Base interactions energy: -966.052 where: short stacking energy: -413.204 Base-Backbone interact. energy: -1.454 local terms energy: -543.725246 where: bonds (distance) C4'-P energy: -118.088 bonds (distance) P-C4' energy: -127.515 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -76.441 tors. eta vs tors. theta energy: -81.386 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: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1312.091252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.091252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.091252 (E_RNA) where: Base-Base interactions energy: -834.273 where: short stacking energy: -368.958 Base-Backbone interact. energy: 1.069 local terms energy: -478.887611 where: bonds (distance) C4'-P energy: -100.184 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -129.908 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -51.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1098.424155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.424155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.424155 (E_RNA) where: Base-Base interactions energy: -654.454 where: short stacking energy: -328.904 Base-Backbone interact. energy: 1.123 local terms energy: -445.092509 where: bonds (distance) C4'-P energy: -103.812 bonds (distance) P-C4' energy: -117.361 flat angles C4'-P-C4' energy: -101.082 flat angles P-C4'-P energy: -74.894 tors. eta vs tors. theta energy: -47.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2837.208018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.208018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.208018 (E_RNA) where: Base-Base interactions energy: -1986.707 where: short stacking energy: -813.166 Base-Backbone interact. energy: -4.091 local terms energy: -846.410475 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -153.945 flat angles C4'-P-C4' energy: -171.295 flat angles P-C4'-P energy: -122.263 tors. eta vs tors. theta energy: -248.412 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: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2564.557006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.557006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.557006 (E_RNA) where: Base-Base interactions energy: -1771.066 where: short stacking energy: -746.838 Base-Backbone interact. energy: -3.484 local terms energy: -790.007376 where: bonds (distance) C4'-P energy: -149.939 bonds (distance) P-C4' energy: -152.973 flat angles C4'-P-C4' energy: -179.501 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -219.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2583.777206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.777206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.777206 (E_RNA) where: Base-Base interactions energy: -1813.015 where: short stacking energy: -724.113 Base-Backbone interact. energy: -3.141 local terms energy: -767.621779 where: bonds (distance) C4'-P energy: -128.487 bonds (distance) P-C4' energy: -151.213 flat angles C4'-P-C4' energy: -177.105 flat angles P-C4'-P energy: -98.536 tors. eta vs tors. theta energy: -212.281 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: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2328.810639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.810639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.810639 (E_RNA) where: Base-Base interactions energy: -1601.318 where: short stacking energy: -698.316 Base-Backbone interact. energy: -2.773 local terms energy: -724.718810 where: bonds (distance) C4'-P energy: -136.631 bonds (distance) P-C4' energy: -153.050 flat angles C4'-P-C4' energy: -140.262 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -193.595 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: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2146.334357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.334357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.334357 (E_RNA) where: Base-Base interactions energy: -1460.218 where: short stacking energy: -615.079 Base-Backbone interact. energy: -5.785 local terms energy: -680.331195 where: bonds (distance) C4'-P energy: -135.065 bonds (distance) P-C4' energy: -138.466 flat angles C4'-P-C4' energy: -141.727 flat angles P-C4'-P energy: -99.228 tors. eta vs tors. theta energy: -165.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2022.555812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.555812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.555812 (E_RNA) where: Base-Base interactions energy: -1396.289 where: short stacking energy: -586.802 Base-Backbone interact. energy: 4.530 local terms energy: -630.796634 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -139.011 flat angles P-C4'-P energy: -89.841 tors. eta vs tors. theta energy: -153.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1632.534940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.534940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.534940 (E_RNA) where: Base-Base interactions energy: -1098.153 where: short stacking energy: -459.276 Base-Backbone interact. energy: -1.844 local terms energy: -532.537958 where: bonds (distance) C4'-P energy: -124.025 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -131.702 flat angles P-C4'-P energy: -86.514 tors. eta vs tors. theta energy: -85.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1482.183952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.183952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.183952 (E_RNA) where: Base-Base interactions energy: -952.167 where: short stacking energy: -412.760 Base-Backbone interact. energy: 0.144 local terms energy: -530.160825 where: bonds (distance) C4'-P energy: -101.321 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -77.553 tors. eta vs tors. theta energy: -93.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1304.651822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.651822 (E_RNA) where: Base-Base interactions energy: -812.294 where: short stacking energy: -391.282 Base-Backbone interact. energy: -2.243 local terms energy: -490.114209 where: bonds (distance) C4'-P energy: -123.468 bonds (distance) P-C4' energy: -130.762 flat angles C4'-P-C4' energy: -111.721 flat angles P-C4'-P energy: -69.983 tors. eta vs tors. theta energy: -54.181 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: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1040.834392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.834392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.834392 (E_RNA) where: Base-Base interactions energy: -606.773 where: short stacking energy: -287.323 Base-Backbone interact. energy: 8.088 local terms energy: -442.149586 where: bonds (distance) C4'-P energy: -107.548 bonds (distance) P-C4' energy: -108.791 flat angles C4'-P-C4' energy: -123.960 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -33.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2810.733894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.733894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.733894 (E_RNA) where: Base-Base interactions energy: -1971.642 where: short stacking energy: -819.691 Base-Backbone interact. energy: -6.650 local terms energy: -832.441769 where: bonds (distance) C4'-P energy: -141.430 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -169.181 flat angles P-C4'-P energy: -120.123 tors. eta vs tors. theta energy: -247.639 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: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2573.302013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.302013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.302013 (E_RNA) where: Base-Base interactions energy: -1776.870 where: short stacking energy: -725.360 Base-Backbone interact. energy: -1.442 local terms energy: -794.989983 where: bonds (distance) C4'-P energy: -147.745 bonds (distance) P-C4' energy: -136.773 flat angles C4'-P-C4' energy: -170.756 flat angles P-C4'-P energy: -123.781 tors. eta vs tors. theta energy: -215.935 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: 409 Temperature: 1.000000 Total energy: -2543.845507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.845507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.845507 (E_RNA) where: Base-Base interactions energy: -1776.487 where: short stacking energy: -746.929 Base-Backbone interact. energy: -1.618 local terms energy: -765.741378 where: bonds (distance) C4'-P energy: -136.305 bonds (distance) P-C4' energy: -146.838 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -104.726 tors. eta vs tors. theta energy: -208.855 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: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2254.894123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.894123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.894123 (E_RNA) where: Base-Base interactions energy: -1575.886 where: short stacking energy: -679.923 Base-Backbone interact. energy: -3.881 local terms energy: -675.126935 where: bonds (distance) C4'-P energy: -131.805 bonds (distance) P-C4' energy: -141.449 flat angles C4'-P-C4' energy: -151.497 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -183.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2171.197929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.197929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.197929 (E_RNA) where: Base-Base interactions energy: -1520.831 where: short stacking energy: -642.028 Base-Backbone interact. energy: -3.890 local terms energy: -646.477125 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -142.174 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: -172.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2044.886604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.886604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.886604 (E_RNA) where: Base-Base interactions energy: -1392.832 where: short stacking energy: -597.856 Base-Backbone interact. energy: -1.113 local terms energy: -650.941715 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -138.984 flat angles C4'-P-C4' energy: -150.115 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -151.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1611.476615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.476615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.476615 (E_RNA) where: Base-Base interactions energy: -1071.425 where: short stacking energy: -453.397 Base-Backbone interact. energy: -3.888 local terms energy: -536.163604 where: bonds (distance) C4'-P energy: -123.446 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: -102.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1441.350398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.350398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.350398 (E_RNA) where: Base-Base interactions energy: -891.220 where: short stacking energy: -403.423 Base-Backbone interact. energy: -3.008 local terms energy: -547.122223 where: bonds (distance) C4'-P energy: -122.161 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -129.852 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: -80.937 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: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1372.612661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.612661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.612661 (E_RNA) where: Base-Base interactions energy: -886.710 where: short stacking energy: -401.606 Base-Backbone interact. energy: 0.201 local terms energy: -486.103941 where: bonds (distance) C4'-P energy: -119.286 bonds (distance) P-C4' energy: -108.318 flat angles C4'-P-C4' energy: -115.950 flat angles P-C4'-P energy: -81.871 tors. eta vs tors. theta energy: -60.680 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: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1003.946674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.946674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.946674 (E_RNA) where: Base-Base interactions energy: -556.269 where: short stacking energy: -253.165 Base-Backbone interact. energy: -2.986 local terms energy: -444.692178 where: bonds (distance) C4'-P energy: -120.483 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -84.000 tors. eta vs tors. theta energy: -6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2802.961369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.961369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.961369 (E_RNA) where: Base-Base interactions energy: -1975.365 where: short stacking energy: -836.066 Base-Backbone interact. energy: -1.804 local terms energy: -825.791762 where: bonds (distance) C4'-P energy: -145.433 bonds (distance) P-C4' energy: -145.366 flat angles C4'-P-C4' energy: -166.159 flat angles P-C4'-P energy: -119.096 tors. eta vs tors. theta energy: -249.739 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: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2625.123394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.123394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.123394 (E_RNA) where: Base-Base interactions energy: -1857.048 where: short stacking energy: -750.234 Base-Backbone interact. energy: -0.699 local terms energy: -767.376846 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -162.864 flat angles P-C4'-P energy: -113.974 tors. eta vs tors. theta energy: -219.420 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: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2544.417792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.417792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.417792 (E_RNA) where: Base-Base interactions energy: -1757.082 where: short stacking energy: -736.667 Base-Backbone interact. energy: -4.757 local terms energy: -782.578604 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -165.221 flat angles P-C4'-P energy: -115.717 tors. eta vs tors. theta energy: -217.947 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: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2307.890232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.890232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.890232 (E_RNA) where: Base-Base interactions energy: -1601.364 where: short stacking energy: -693.701 Base-Backbone interact. energy: 2.081 local terms energy: -708.607849 where: bonds (distance) C4'-P energy: -136.358 bonds (distance) P-C4' energy: -138.826 flat angles C4'-P-C4' energy: -152.200 flat angles P-C4'-P energy: -90.860 tors. eta vs tors. theta energy: -190.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2190.397915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.397915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.397915 (E_RNA) where: Base-Base interactions energy: -1500.209 where: short stacking energy: -636.051 Base-Backbone interact. energy: -0.200 local terms energy: -689.988333 where: bonds (distance) C4'-P energy: -127.485 bonds (distance) P-C4' energy: -150.503 flat angles C4'-P-C4' energy: -140.885 flat angles P-C4'-P energy: -101.050 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: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2044.713249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.713249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.713249 (E_RNA) where: Base-Base interactions energy: -1387.907 where: short stacking energy: -606.710 Base-Backbone interact. energy: -0.882 local terms energy: -655.924308 where: bonds (distance) C4'-P energy: -122.475 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -130.119 flat angles P-C4'-P energy: -104.953 tors. eta vs tors. theta energy: -151.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1594.222185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.222185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.222185 (E_RNA) where: Base-Base interactions energy: -1038.193 where: short stacking energy: -469.984 Base-Backbone interact. energy: -2.957 local terms energy: -553.072364 where: bonds (distance) C4'-P energy: -118.245 bonds (distance) P-C4' energy: -132.030 flat angles C4'-P-C4' energy: -126.559 flat angles P-C4'-P energy: -78.314 tors. eta vs tors. theta energy: -97.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1451.763171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.763171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.763171 (E_RNA) where: Base-Base interactions energy: -907.652 where: short stacking energy: -412.562 Base-Backbone interact. energy: 2.647 local terms energy: -546.758392 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -140.936 flat angles C4'-P-C4' energy: -126.783 flat angles P-C4'-P energy: -83.729 tors. eta vs tors. theta energy: -79.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1400.475807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.475807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.475807 (E_RNA) where: Base-Base interactions energy: -908.550 where: short stacking energy: -405.768 Base-Backbone interact. energy: -3.734 local terms energy: -488.191768 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -117.039 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -77.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -923.606840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.606840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.606840 (E_RNA) where: Base-Base interactions energy: -509.625 where: short stacking energy: -231.975 Base-Backbone interact. energy: 0.456 local terms energy: -414.437368 where: bonds (distance) C4'-P energy: -102.820 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -118.075 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: 6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2822.262755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.262755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.262755 (E_RNA) where: Base-Base interactions energy: -1987.284 where: short stacking energy: -858.055 Base-Backbone interact. energy: -5.407 local terms energy: -829.571530 where: bonds (distance) C4'-P energy: -146.065 bonds (distance) P-C4' energy: -150.775 flat angles C4'-P-C4' energy: -175.486 flat angles P-C4'-P energy: -110.425 tors. eta vs tors. theta energy: -246.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2624.900555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.900555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.900555 (E_RNA) where: Base-Base interactions energy: -1834.088 where: short stacking energy: -745.233 Base-Backbone interact. energy: -0.766 local terms energy: -790.046409 where: bonds (distance) C4'-P energy: -150.428 bonds (distance) P-C4' energy: -144.314 flat angles C4'-P-C4' energy: -169.755 flat angles P-C4'-P energy: -104.787 tors. eta vs tors. theta energy: -220.763 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: 411 Temperature: 1.000000 Total energy: -2586.807673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.807673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.807673 (E_RNA) where: Base-Base interactions energy: -1808.775 where: short stacking energy: -755.205 Base-Backbone interact. energy: 0.755 local terms energy: -778.788592 where: bonds (distance) C4'-P energy: -132.434 bonds (distance) P-C4' energy: -152.643 flat angles C4'-P-C4' energy: -167.112 flat angles P-C4'-P energy: -114.785 tors. eta vs tors. theta energy: -211.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2280.894879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.894879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.894879 (E_RNA) where: Base-Base interactions energy: -1560.363 where: short stacking energy: -662.430 Base-Backbone interact. energy: 0.697 local terms energy: -721.229289 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -147.349 flat angles P-C4'-P energy: -104.601 tors. eta vs tors. theta energy: -186.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2255.157966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.157966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.157966 (E_RNA) where: Base-Base interactions energy: -1538.591 where: short stacking energy: -635.709 Base-Backbone interact. energy: -3.387 local terms energy: -713.180461 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -143.346 flat angles C4'-P-C4' energy: -149.891 flat angles P-C4'-P energy: -92.628 tors. eta vs tors. theta energy: -184.087 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: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2063.221581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.221581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.221581 (E_RNA) where: Base-Base interactions energy: -1441.182 where: short stacking energy: -637.046 Base-Backbone interact. energy: 1.651 local terms energy: -623.691339 where: bonds (distance) C4'-P energy: -115.895 bonds (distance) P-C4' energy: -115.035 flat angles C4'-P-C4' energy: -150.440 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: -164.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1617.663816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.663816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.663816 (E_RNA) where: Base-Base interactions energy: -1048.470 where: short stacking energy: -457.463 Base-Backbone interact. energy: 5.823 local terms energy: -575.016184 where: bonds (distance) C4'-P energy: -131.730 bonds (distance) P-C4' energy: -130.000 flat angles C4'-P-C4' energy: -135.617 flat angles P-C4'-P energy: -91.659 tors. eta vs tors. theta energy: -86.011 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1472.688163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.688163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.688163 (E_RNA) where: Base-Base interactions energy: -923.663 where: short stacking energy: -406.141 Base-Backbone interact. energy: -3.591 local terms energy: -545.434505 where: bonds (distance) C4'-P energy: -119.104 bonds (distance) P-C4' energy: -125.508 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -104.990 tors. eta vs tors. theta energy: -70.726 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: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1465.050695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.050695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.050695 (E_RNA) where: Base-Base interactions energy: -905.708 where: short stacking energy: -399.952 Base-Backbone interact. energy: -2.665 local terms energy: -556.676902 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -141.325 flat angles C4'-P-C4' energy: -138.968 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -77.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1014.978733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.978733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.978733 (E_RNA) where: Base-Base interactions energy: -596.285 where: short stacking energy: -305.232 Base-Backbone interact. energy: 4.672 local terms energy: -423.366685 where: bonds (distance) C4'-P energy: -136.029 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -94.405 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2790.568157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.568157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.568157 (E_RNA) where: Base-Base interactions energy: -1956.845 where: short stacking energy: -825.031 Base-Backbone interact. energy: -1.743 local terms energy: -831.979977 where: bonds (distance) C4'-P energy: -151.254 bonds (distance) P-C4' energy: -151.937 flat angles C4'-P-C4' energy: -159.882 flat angles P-C4'-P energy: -120.510 tors. eta vs tors. theta energy: -248.396 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2618.150003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.150003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.150003 (E_RNA) where: Base-Base interactions energy: -1849.547 where: short stacking energy: -741.768 Base-Backbone interact. energy: -3.374 local terms energy: -765.228734 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -149.293 flat angles C4'-P-C4' energy: -160.647 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -217.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2595.373648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.373648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.373648 (E_RNA) where: Base-Base interactions energy: -1835.278 where: short stacking energy: -755.071 Base-Backbone interact. energy: 2.948 local terms energy: -763.043953 where: bonds (distance) C4'-P energy: -136.879 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -173.261 flat angles P-C4'-P energy: -111.217 tors. eta vs tors. theta energy: -202.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2322.602868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.602868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.602868 (E_RNA) where: Base-Base interactions energy: -1584.381 where: short stacking energy: -679.039 Base-Backbone interact. energy: -1.509 local terms energy: -736.712949 where: bonds (distance) C4'-P energy: -137.163 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -160.590 flat angles P-C4'-P energy: -108.614 tors. eta vs tors. theta energy: -192.303 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: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2202.459471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.459471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.459471 (E_RNA) where: Base-Base interactions energy: -1536.000 where: short stacking energy: -625.694 Base-Backbone interact. energy: -1.896 local terms energy: -664.563849 where: bonds (distance) C4'-P energy: -130.696 bonds (distance) P-C4' energy: -142.507 flat angles C4'-P-C4' energy: -150.270 flat angles P-C4'-P energy: -72.740 tors. eta vs tors. theta energy: -168.350 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: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2059.807107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.807107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.807107 (E_RNA) where: Base-Base interactions energy: -1404.834 where: short stacking energy: -603.002 Base-Backbone interact. energy: 0.521 local terms energy: -655.494216 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -129.106 flat angles C4'-P-C4' energy: -151.688 flat angles P-C4'-P energy: -102.537 tors. eta vs tors. theta energy: -153.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1761.325999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.325999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.325999 (E_RNA) where: Base-Base interactions energy: -1162.092 where: short stacking energy: -524.339 Base-Backbone interact. energy: -5.944 local terms energy: -593.290708 where: bonds (distance) C4'-P energy: -114.316 bonds (distance) P-C4' energy: -121.078 flat angles C4'-P-C4' energy: -151.585 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -134.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1503.107281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.107281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.107281 (E_RNA) where: Base-Base interactions energy: -985.985 where: short stacking energy: -428.094 Base-Backbone interact. energy: -2.083 local terms energy: -515.039411 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -115.070 flat angles C4'-P-C4' energy: -115.055 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -80.821 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: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1399.218777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.218777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.218777 (E_RNA) where: Base-Base interactions energy: -911.194 where: short stacking energy: -388.193 Base-Backbone interact. energy: -0.898 local terms energy: -487.126747 where: bonds (distance) C4'-P energy: -120.983 bonds (distance) P-C4' energy: -98.167 flat angles C4'-P-C4' energy: -128.461 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -69.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -975.672336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.672336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.672336 (E_RNA) where: Base-Base interactions energy: -587.684 where: short stacking energy: -303.934 Base-Backbone interact. energy: 1.363 local terms energy: -389.351142 where: bonds (distance) C4'-P energy: -89.387 bonds (distance) P-C4' energy: -108.435 flat angles C4'-P-C4' energy: -92.851 flat angles P-C4'-P energy: -74.505 tors. eta vs tors. theta energy: -24.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2818.840833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.840833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.840833 (E_RNA) where: Base-Base interactions energy: -1962.653 where: short stacking energy: -837.867 Base-Backbone interact. energy: -7.228 local terms energy: -848.960250 where: bonds (distance) C4'-P energy: -145.475 bonds (distance) P-C4' energy: -163.171 flat angles C4'-P-C4' energy: -187.163 flat angles P-C4'-P energy: -110.776 tors. eta vs tors. theta energy: -242.375 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: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2611.654900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.654900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.654900 (E_RNA) where: Base-Base interactions energy: -1809.582 where: short stacking energy: -755.659 Base-Backbone interact. energy: -2.930 local terms energy: -799.142921 where: bonds (distance) C4'-P energy: -150.345 bonds (distance) P-C4' energy: -151.095 flat angles C4'-P-C4' energy: -173.220 flat angles P-C4'-P energy: -112.392 tors. eta vs tors. theta energy: -212.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2549.920151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.920151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.920151 (E_RNA) where: Base-Base interactions energy: -1796.738 where: short stacking energy: -728.915 Base-Backbone interact. energy: -2.910 local terms energy: -750.272169 where: bonds (distance) C4'-P energy: -141.852 bonds (distance) P-C4' energy: -143.410 flat angles C4'-P-C4' energy: -168.044 flat angles P-C4'-P energy: -96.752 tors. eta vs tors. theta energy: -200.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2322.058070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.058070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.058070 (E_RNA) where: Base-Base interactions energy: -1608.650 where: short stacking energy: -684.310 Base-Backbone interact. energy: -0.861 local terms energy: -712.546127 where: bonds (distance) C4'-P energy: -136.243 bonds (distance) P-C4' energy: -132.672 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -190.906 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: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2210.524581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.524581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.524581 (E_RNA) where: Base-Base interactions energy: -1526.631 where: short stacking energy: -648.048 Base-Backbone interact. energy: -0.212 local terms energy: -683.681673 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -143.876 flat angles C4'-P-C4' energy: -140.835 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -182.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1984.133131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.133131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.133131 (E_RNA) where: Base-Base interactions energy: -1369.417 where: short stacking energy: -557.448 Base-Backbone interact. energy: 0.008 local terms energy: -614.723779 where: bonds (distance) C4'-P energy: -126.304 bonds (distance) P-C4' energy: -134.706 flat angles C4'-P-C4' energy: -134.151 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -123.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1777.509535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.509535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.509535 (E_RNA) where: Base-Base interactions energy: -1199.498 where: short stacking energy: -512.795 Base-Backbone interact. energy: -3.558 local terms energy: -574.453131 where: bonds (distance) C4'-P energy: -108.039 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -129.510 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -130.295 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: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1550.007433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.007433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.007433 (E_RNA) where: Base-Base interactions energy: -992.296 where: short stacking energy: -442.255 Base-Backbone interact. energy: 2.685 local terms energy: -560.395690 where: bonds (distance) C4'-P energy: -118.557 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -135.859 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -97.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1406.215647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.215647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.215647 (E_RNA) where: Base-Base interactions energy: -909.488 where: short stacking energy: -398.524 Base-Backbone interact. energy: -3.284 local terms energy: -493.443223 where: bonds (distance) C4'-P energy: -111.456 bonds (distance) P-C4' energy: -118.351 flat angles C4'-P-C4' energy: -120.247 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -78.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -957.566920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.566920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.566920 (E_RNA) where: Base-Base interactions energy: -546.415 where: short stacking energy: -256.041 Base-Backbone interact. energy: -4.610 local terms energy: -406.541636 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -103.656 flat angles C4'-P-C4' energy: -121.712 flat angles P-C4'-P energy: -38.839 tors. eta vs tors. theta energy: -23.254 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: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2797.333672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.333672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.333672 (E_RNA) where: Base-Base interactions energy: -1932.318 where: short stacking energy: -811.935 Base-Backbone interact. energy: -2.318 local terms energy: -862.697721 where: bonds (distance) C4'-P energy: -156.693 bonds (distance) P-C4' energy: -161.852 flat angles C4'-P-C4' energy: -175.801 flat angles P-C4'-P energy: -122.605 tors. eta vs tors. theta energy: -245.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2610.685832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.685832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.685832 (E_RNA) where: Base-Base interactions energy: -1845.786 where: short stacking energy: -733.351 Base-Backbone interact. energy: -0.717 local terms energy: -764.182693 where: bonds (distance) C4'-P energy: -135.586 bonds (distance) P-C4' energy: -152.082 flat angles C4'-P-C4' energy: -164.669 flat angles P-C4'-P energy: -102.740 tors. eta vs tors. theta energy: -209.105 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: 414 Temperature: 1.000000 Total energy: -2562.326573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.326573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.326573 (E_RNA) where: Base-Base interactions energy: -1820.731 where: short stacking energy: -759.333 Base-Backbone interact. energy: 1.408 local terms energy: -743.003979 where: bonds (distance) C4'-P energy: -128.580 bonds (distance) P-C4' energy: -127.675 flat angles C4'-P-C4' energy: -171.148 flat angles P-C4'-P energy: -108.783 tors. eta vs tors. theta energy: -206.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2308.860612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.860612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.860612 (E_RNA) where: Base-Base interactions energy: -1597.022 where: short stacking energy: -686.909 Base-Backbone interact. energy: -5.200 local terms energy: -706.638264 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -137.930 flat angles C4'-P-C4' energy: -152.237 flat angles P-C4'-P energy: -96.980 tors. eta vs tors. theta energy: -199.614 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: 414 Temperature: 1.100000 Total energy: -2179.068696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.068696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.068696 (E_RNA) where: Base-Base interactions energy: -1468.470 where: short stacking energy: -629.472 Base-Backbone interact. energy: -2.630 local terms energy: -707.968965 where: bonds (distance) C4'-P energy: -140.822 bonds (distance) P-C4' energy: -139.944 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -171.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2043.582982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.582982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.582982 (E_RNA) where: Base-Base interactions energy: -1381.890 where: short stacking energy: -596.950 Base-Backbone interact. energy: -1.453 local terms energy: -660.240020 where: bonds (distance) C4'-P energy: -135.021 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -155.087 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -156.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1711.382193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.382193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.382193 (E_RNA) where: Base-Base interactions energy: -1135.631 where: short stacking energy: -481.823 Base-Backbone interact. energy: -5.554 local terms energy: -570.196920 where: bonds (distance) C4'-P energy: -121.893 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -123.304 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1521.779186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.779186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.779186 (E_RNA) where: Base-Base interactions energy: -981.506 where: short stacking energy: -444.841 Base-Backbone interact. energy: -2.873 local terms energy: -537.399958 where: bonds (distance) C4'-P energy: -120.410 bonds (distance) P-C4' energy: -122.858 flat angles C4'-P-C4' energy: -119.359 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -85.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1325.581704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.581704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.581704 (E_RNA) where: Base-Base interactions energy: -810.949 where: short stacking energy: -392.026 Base-Backbone interact. energy: 6.570 local terms energy: -521.202744 where: bonds (distance) C4'-P energy: -129.998 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -118.461 flat angles P-C4'-P energy: -72.927 tors. eta vs tors. theta energy: -73.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -989.454316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.454316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.454316 (E_RNA) where: Base-Base interactions energy: -560.757 where: short stacking energy: -284.827 Base-Backbone interact. energy: -3.301 local terms energy: -425.396054 where: bonds (distance) C4'-P energy: -129.636 bonds (distance) P-C4' energy: -114.873 flat angles C4'-P-C4' energy: -95.835 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -19.420 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: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2828.368252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.368252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.368252 (E_RNA) where: Base-Base interactions energy: -1998.897 where: short stacking energy: -842.865 Base-Backbone interact. energy: -3.306 local terms energy: -826.165500 where: bonds (distance) C4'-P energy: -130.454 bonds (distance) P-C4' energy: -146.132 flat angles C4'-P-C4' energy: -170.166 flat angles P-C4'-P energy: -128.585 tors. eta vs tors. theta energy: -250.828 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: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2580.817593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.817593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.817593 (E_RNA) where: Base-Base interactions energy: -1833.079 where: short stacking energy: -723.396 Base-Backbone interact. energy: 2.458 local terms energy: -750.196557 where: bonds (distance) C4'-P energy: -138.644 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -165.206 flat angles P-C4'-P energy: -98.204 tors. eta vs tors. theta energy: -206.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2544.990778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.990778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.990778 (E_RNA) where: Base-Base interactions energy: -1788.941 where: short stacking energy: -724.069 Base-Backbone interact. energy: -1.323 local terms energy: -754.726330 where: bonds (distance) C4'-P energy: -144.172 bonds (distance) P-C4' energy: -131.443 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -115.701 tors. eta vs tors. theta energy: -198.489 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: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2372.971811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.971811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.971811 (E_RNA) where: Base-Base interactions energy: -1662.760 where: short stacking energy: -691.139 Base-Backbone interact. energy: -0.436 local terms energy: -709.775544 where: bonds (distance) C4'-P energy: -118.489 bonds (distance) P-C4' energy: -128.361 flat angles C4'-P-C4' energy: -163.794 flat angles P-C4'-P energy: -107.119 tors. eta vs tors. theta energy: -192.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2187.347222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.347222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.347222 (E_RNA) where: Base-Base interactions energy: -1525.799 where: short stacking energy: -659.576 Base-Backbone interact. energy: -1.657 local terms energy: -659.891017 where: bonds (distance) C4'-P energy: -124.162 bonds (distance) P-C4' energy: -120.284 flat angles C4'-P-C4' energy: -159.532 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -162.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2025.337163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.337163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.337163 (E_RNA) where: Base-Base interactions energy: -1369.401 where: short stacking energy: -587.892 Base-Backbone interact. energy: -3.184 local terms energy: -652.752803 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -126.133 flat angles C4'-P-C4' energy: -149.343 flat angles P-C4'-P energy: -94.896 tors. eta vs tors. theta energy: -152.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1721.501507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.501507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.501507 (E_RNA) where: Base-Base interactions energy: -1132.985 where: short stacking energy: -512.675 Base-Backbone interact. energy: 1.939 local terms energy: -590.454533 where: bonds (distance) C4'-P energy: -119.468 bonds (distance) P-C4' energy: -125.434 flat angles C4'-P-C4' energy: -142.223 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -117.983 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: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1550.178088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.178088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.178088 (E_RNA) where: Base-Base interactions energy: -1007.339 where: short stacking energy: -451.343 Base-Backbone interact. energy: 6.184 local terms energy: -549.023472 where: bonds (distance) C4'-P energy: -117.111 bonds (distance) P-C4' energy: -136.681 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -78.259 tors. eta vs tors. theta energy: -85.834 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: 415 Temperature: 1.300000 Total energy: -1292.975475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.975475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.975475 (E_RNA) where: Base-Base interactions energy: -797.566 where: short stacking energy: -389.808 Base-Backbone interact. energy: 2.426 local terms energy: -497.835250 where: bonds (distance) C4'-P energy: -94.742 bonds (distance) P-C4' energy: -115.750 flat angles C4'-P-C4' energy: -115.424 flat angles P-C4'-P energy: -92.531 tors. eta vs tors. theta energy: -79.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1004.383784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.383784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.383784 (E_RNA) where: Base-Base interactions energy: -567.263 where: short stacking energy: -281.666 Base-Backbone interact. energy: 5.207 local terms energy: -442.327782 where: bonds (distance) C4'-P energy: -103.558 bonds (distance) P-C4' energy: -134.500 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -31.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2815.150312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.150312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.150312 (E_RNA) where: Base-Base interactions energy: -1970.948 where: short stacking energy: -818.668 Base-Backbone interact. energy: -2.332 local terms energy: -841.869844 where: bonds (distance) C4'-P energy: -154.078 bonds (distance) P-C4' energy: -142.687 flat angles C4'-P-C4' energy: -177.000 flat angles P-C4'-P energy: -119.183 tors. eta vs tors. theta energy: -248.922 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: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2627.168036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.168036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.168036 (E_RNA) where: Base-Base interactions energy: -1870.053 where: short stacking energy: -762.099 Base-Backbone interact. energy: -0.085 local terms energy: -757.029869 where: bonds (distance) C4'-P energy: -127.978 bonds (distance) P-C4' energy: -147.782 flat angles C4'-P-C4' energy: -157.424 flat angles P-C4'-P energy: -108.143 tors. eta vs tors. theta energy: -215.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2517.201195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.201195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.201195 (E_RNA) where: Base-Base interactions energy: -1758.775 where: short stacking energy: -710.976 Base-Backbone interact. energy: -0.170 local terms energy: -758.256560 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -153.489 flat angles C4'-P-C4' energy: -171.399 flat angles P-C4'-P energy: -107.707 tors. eta vs tors. theta energy: -194.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2340.047531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.047531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.047531 (E_RNA) where: Base-Base interactions energy: -1581.249 where: short stacking energy: -664.585 Base-Backbone interact. energy: 2.207 local terms energy: -761.006279 where: bonds (distance) C4'-P energy: -151.636 bonds (distance) P-C4' energy: -143.967 flat angles C4'-P-C4' energy: -165.409 flat angles P-C4'-P energy: -96.168 tors. eta vs tors. theta energy: -203.826 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: 5, replica: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2200.664702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.664702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.664702 (E_RNA) where: Base-Base interactions energy: -1512.002 where: short stacking energy: -664.890 Base-Backbone interact. energy: 3.524 local terms energy: -692.186915 where: bonds (distance) C4'-P energy: -128.354 bonds (distance) P-C4' energy: -127.216 flat angles C4'-P-C4' energy: -161.793 flat angles P-C4'-P energy: -87.085 tors. eta vs tors. theta energy: -187.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2013.587150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.587150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.587150 (E_RNA) where: Base-Base interactions energy: -1391.108 where: short stacking energy: -608.795 Base-Backbone interact. energy: -2.010 local terms energy: -620.469560 where: bonds (distance) C4'-P energy: -115.274 bonds (distance) P-C4' energy: -116.118 flat angles C4'-P-C4' energy: -146.688 flat angles P-C4'-P energy: -81.639 tors. eta vs tors. theta energy: -160.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1750.393411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.393411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.393411 (E_RNA) where: Base-Base interactions energy: -1130.653 where: short stacking energy: -498.774 Base-Backbone interact. energy: 1.018 local terms energy: -620.758265 where: bonds (distance) C4'-P energy: -132.204 bonds (distance) P-C4' energy: -161.409 flat angles C4'-P-C4' energy: -127.466 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -120.534 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: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1549.652184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.652184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.652184 (E_RNA) where: Base-Base interactions energy: -1022.940 where: short stacking energy: -485.127 Base-Backbone interact. energy: 2.167 local terms energy: -528.879770 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -106.579 flat angles C4'-P-C4' energy: -131.401 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -102.686 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: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1269.326701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.326701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.326701 (E_RNA) where: Base-Base interactions energy: -770.084 where: short stacking energy: -371.212 Base-Backbone interact. energy: -0.691 local terms energy: -498.551871 where: bonds (distance) C4'-P energy: -121.901 bonds (distance) P-C4' energy: -120.884 flat angles C4'-P-C4' energy: -105.157 flat angles P-C4'-P energy: -67.416 tors. eta vs tors. theta energy: -83.193 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: 416 Temperature: 1.350000 Total energy: -1018.808512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.808512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.808512 (E_RNA) where: Base-Base interactions energy: -566.636 where: short stacking energy: -265.004 Base-Backbone interact. energy: 4.439 local terms energy: -456.611082 where: bonds (distance) C4'-P energy: -130.258 bonds (distance) P-C4' energy: -125.628 flat angles C4'-P-C4' energy: -118.784 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: -23.188 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: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2815.172754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.172754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.172754 (E_RNA) where: Base-Base interactions energy: -1965.432 where: short stacking energy: -827.031 Base-Backbone interact. energy: -3.997 local terms energy: -845.743328 where: bonds (distance) C4'-P energy: -149.194 bonds (distance) P-C4' energy: -149.297 flat angles C4'-P-C4' energy: -178.908 flat angles P-C4'-P energy: -124.098 tors. eta vs tors. theta energy: -244.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2631.757299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.757299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.757299 (E_RNA) where: Base-Base interactions energy: -1840.120 where: short stacking energy: -735.601 Base-Backbone interact. energy: 3.945 local terms energy: -795.582315 where: bonds (distance) C4'-P energy: -159.887 bonds (distance) P-C4' energy: -142.598 flat angles C4'-P-C4' energy: -169.311 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -218.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2525.266463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.266463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.266463 (E_RNA) where: Base-Base interactions energy: -1782.980 where: short stacking energy: -742.873 Base-Backbone interact. energy: 0.806 local terms energy: -743.092661 where: bonds (distance) C4'-P energy: -133.788 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -172.223 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -199.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2272.298629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.298629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.298629 (E_RNA) where: Base-Base interactions energy: -1562.615 where: short stacking energy: -631.623 Base-Backbone interact. energy: -3.143 local terms energy: -706.540536 where: bonds (distance) C4'-P energy: -142.112 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -165.495 flat angles P-C4'-P energy: -87.899 tors. eta vs tors. theta energy: -171.329 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: 417 Temperature: 1.100000 Total energy: -2196.281480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.281480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.281480 (E_RNA) where: Base-Base interactions energy: -1489.837 where: short stacking energy: -657.105 Base-Backbone interact. energy: -0.778 local terms energy: -705.665740 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -162.927 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -183.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2026.975160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.975160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.975160 (E_RNA) where: Base-Base interactions energy: -1420.838 where: short stacking energy: -571.252 Base-Backbone interact. energy: 3.121 local terms energy: -609.258373 where: bonds (distance) C4'-P energy: -118.585 bonds (distance) P-C4' energy: -141.202 flat angles C4'-P-C4' energy: -125.061 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -145.973 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: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1715.557447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.557447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.557447 (E_RNA) where: Base-Base interactions energy: -1122.822 where: short stacking energy: -478.274 Base-Backbone interact. energy: -3.225 local terms energy: -589.509847 where: bonds (distance) C4'-P energy: -132.140 bonds (distance) P-C4' energy: -133.320 flat angles C4'-P-C4' energy: -133.121 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: -103.407 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: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1633.891611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.891611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.891611 (E_RNA) where: Base-Base interactions energy: -1073.390 where: short stacking energy: -501.903 Base-Backbone interact. energy: -1.965 local terms energy: -558.536476 where: bonds (distance) C4'-P energy: -107.071 bonds (distance) P-C4' energy: -112.600 flat angles C4'-P-C4' energy: -140.957 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -109.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1322.948706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.948706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.948706 (E_RNA) where: Base-Base interactions energy: -840.320 where: short stacking energy: -369.802 Base-Backbone interact. energy: -0.545 local terms energy: -482.082954 where: bonds (distance) C4'-P energy: -103.177 bonds (distance) P-C4' energy: -132.155 flat angles C4'-P-C4' energy: -115.545 flat angles P-C4'-P energy: -75.243 tors. eta vs tors. theta energy: -55.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1010.599870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.599870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.599870 (E_RNA) where: Base-Base interactions energy: -539.015 where: short stacking energy: -257.315 Base-Backbone interact. energy: 2.582 local terms energy: -474.166463 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -119.484 flat angles C4'-P-C4' energy: -116.796 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -33.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2790.692852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.692852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.692852 (E_RNA) where: Base-Base interactions energy: -1957.426 where: short stacking energy: -809.058 Base-Backbone interact. energy: -4.510 local terms energy: -828.756662 where: bonds (distance) C4'-P energy: -145.747 bonds (distance) P-C4' energy: -146.158 flat angles C4'-P-C4' energy: -183.250 flat angles P-C4'-P energy: -116.787 tors. eta vs tors. theta energy: -236.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2605.783804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.783804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.783804 (E_RNA) where: Base-Base interactions energy: -1825.503 where: short stacking energy: -756.255 Base-Backbone interact. energy: -0.427 local terms energy: -779.853537 where: bonds (distance) C4'-P energy: -147.689 bonds (distance) P-C4' energy: -143.016 flat angles C4'-P-C4' energy: -163.499 flat angles P-C4'-P energy: -109.747 tors. eta vs tors. theta energy: -215.903 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: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2506.117327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.117327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.117327 (E_RNA) where: Base-Base interactions energy: -1760.126 where: short stacking energy: -717.691 Base-Backbone interact. energy: -3.319 local terms energy: -742.672748 where: bonds (distance) C4'-P energy: -107.871 bonds (distance) P-C4' energy: -145.568 flat angles C4'-P-C4' energy: -166.106 flat angles P-C4'-P energy: -115.217 tors. eta vs tors. theta energy: -207.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2348.946006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.946006 (E_RNA) where: Base-Base interactions energy: -1644.180 where: short stacking energy: -705.237 Base-Backbone interact. energy: -0.660 local terms energy: -704.106023 where: bonds (distance) C4'-P energy: -134.117 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -151.020 flat angles P-C4'-P energy: -105.292 tors. eta vs tors. theta energy: -186.523 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: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2242.110414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.110414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.110414 (E_RNA) where: Base-Base interactions energy: -1534.730 where: short stacking energy: -651.751 Base-Backbone interact. energy: 0.888 local terms energy: -708.268537 where: bonds (distance) C4'-P energy: -136.729 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -153.413 flat angles P-C4'-P energy: -80.260 tors. eta vs tors. theta energy: -193.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2040.788960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.788960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.788960 (E_RNA) where: Base-Base interactions energy: -1428.835 where: short stacking energy: -595.619 Base-Backbone interact. energy: -0.755 local terms energy: -611.199045 where: bonds (distance) C4'-P energy: -130.696 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -136.574 flat angles P-C4'-P energy: -78.306 tors. eta vs tors. theta energy: -141.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1625.043789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.043789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.043789 (E_RNA) where: Base-Base interactions energy: -1075.717 where: short stacking energy: -478.680 Base-Backbone interact. energy: 1.277 local terms energy: -550.604283 where: bonds (distance) C4'-P energy: -106.358 bonds (distance) P-C4' energy: -120.938 flat angles C4'-P-C4' energy: -121.010 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -115.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1604.969974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.969974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.969974 (E_RNA) where: Base-Base interactions energy: -1048.139 where: short stacking energy: -478.338 Base-Backbone interact. energy: -2.448 local terms energy: -554.383347 where: bonds (distance) C4'-P energy: -120.139 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -125.248 flat angles P-C4'-P energy: -71.383 tors. eta vs tors. theta energy: -107.550 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: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1267.354769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.354769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.354769 (E_RNA) where: Base-Base interactions energy: -797.825 where: short stacking energy: -382.043 Base-Backbone interact. energy: 0.643 local terms energy: -470.172313 where: bonds (distance) C4'-P energy: -110.673 bonds (distance) P-C4' energy: -121.988 flat angles C4'-P-C4' energy: -110.827 flat angles P-C4'-P energy: -78.522 tors. eta vs tors. theta energy: -48.163 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: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1099.744590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.744590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.744590 (E_RNA) where: Base-Base interactions energy: -625.500 where: short stacking energy: -306.133 Base-Backbone interact. energy: 0.407 local terms energy: -474.651865 where: bonds (distance) C4'-P energy: -106.512 bonds (distance) P-C4' energy: -129.951 flat angles C4'-P-C4' energy: -103.130 flat angles P-C4'-P energy: -82.431 tors. eta vs tors. theta energy: -52.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2812.126936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.126936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.126936 (E_RNA) where: Base-Base interactions energy: -1969.462 where: short stacking energy: -820.810 Base-Backbone interact. energy: -2.628 local terms energy: -840.037010 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -154.308 flat angles C4'-P-C4' energy: -168.306 flat angles P-C4'-P energy: -113.478 tors. eta vs tors. theta energy: -248.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2566.987150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.987150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.987150 (E_RNA) where: Base-Base interactions energy: -1789.887 where: short stacking energy: -755.442 Base-Backbone interact. energy: -1.142 local terms energy: -775.958479 where: bonds (distance) C4'-P energy: -144.718 bonds (distance) P-C4' energy: -144.419 flat angles C4'-P-C4' energy: -158.330 flat angles P-C4'-P energy: -111.317 tors. eta vs tors. theta energy: -217.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2523.791874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.791874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.791874 (E_RNA) where: Base-Base interactions energy: -1760.625 where: short stacking energy: -729.106 Base-Backbone interact. energy: -0.778 local terms energy: -762.388589 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -160.755 flat angles P-C4'-P energy: -111.593 tors. eta vs tors. theta energy: -205.204 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: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2344.414651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.414651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.414651 (E_RNA) where: Base-Base interactions energy: -1618.449 where: short stacking energy: -695.237 Base-Backbone interact. energy: 1.804 local terms energy: -727.770196 where: bonds (distance) C4'-P energy: -136.324 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -152.068 flat angles P-C4'-P energy: -94.493 tors. eta vs tors. theta energy: -193.753 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2217.741365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.741365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.741365 (E_RNA) where: Base-Base interactions energy: -1561.090 where: short stacking energy: -655.508 Base-Backbone interact. energy: 2.916 local terms energy: -659.567411 where: bonds (distance) C4'-P energy: -117.893 bonds (distance) P-C4' energy: -117.250 flat angles C4'-P-C4' energy: -150.751 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -183.294 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: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2014.067706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.067706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.067706 (E_RNA) where: Base-Base interactions energy: -1370.018 where: short stacking energy: -580.806 Base-Backbone interact. energy: -2.208 local terms energy: -641.842195 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -130.826 flat angles C4'-P-C4' energy: -133.463 flat angles P-C4'-P energy: -96.796 tors. eta vs tors. theta energy: -146.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1630.806706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.806706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.806706 (E_RNA) where: Base-Base interactions energy: -1086.563 where: short stacking energy: -481.330 Base-Backbone interact. energy: 5.274 local terms energy: -549.518517 where: bonds (distance) C4'-P energy: -100.240 bonds (distance) P-C4' energy: -111.004 flat angles C4'-P-C4' energy: -146.884 flat angles P-C4'-P energy: -103.688 tors. eta vs tors. theta energy: -87.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1618.618141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.618141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.618141 (E_RNA) where: Base-Base interactions energy: -1067.803 where: short stacking energy: -463.594 Base-Backbone interact. energy: 1.165 local terms energy: -551.979943 where: bonds (distance) C4'-P energy: -123.727 bonds (distance) P-C4' energy: -105.674 flat angles C4'-P-C4' energy: -144.279 flat angles P-C4'-P energy: -80.828 tors. eta vs tors. theta energy: -97.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1282.555048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.555048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.555048 (E_RNA) where: Base-Base interactions energy: -782.410 where: short stacking energy: -375.596 Base-Backbone interact. energy: -3.154 local terms energy: -496.990542 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -132.814 flat angles C4'-P-C4' energy: -114.690 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -62.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1067.586709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.586709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.586709 (E_RNA) where: Base-Base interactions energy: -613.572 where: short stacking energy: -313.415 Base-Backbone interact. energy: -1.270 local terms energy: -452.744887 where: bonds (distance) C4'-P energy: -125.316 bonds (distance) P-C4' energy: -119.873 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -30.770 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: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2822.151457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.151457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.151457 (E_RNA) where: Base-Base interactions energy: -1967.660 where: short stacking energy: -823.222 Base-Backbone interact. energy: -2.172 local terms energy: -852.318862 where: bonds (distance) C4'-P energy: -152.142 bonds (distance) P-C4' energy: -152.577 flat angles C4'-P-C4' energy: -178.650 flat angles P-C4'-P energy: -121.887 tors. eta vs tors. theta energy: -247.063 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: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2620.996953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.996953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.996953 (E_RNA) where: Base-Base interactions energy: -1852.520 where: short stacking energy: -748.787 Base-Backbone interact. energy: 0.244 local terms energy: -768.720692 where: bonds (distance) C4'-P energy: -125.905 bonds (distance) P-C4' energy: -146.592 flat angles C4'-P-C4' energy: -170.477 flat angles P-C4'-P energy: -113.304 tors. eta vs tors. theta energy: -212.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2515.041750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.041750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.041750 (E_RNA) where: Base-Base interactions energy: -1758.255 where: short stacking energy: -742.038 Base-Backbone interact. energy: -4.034 local terms energy: -752.751998 where: bonds (distance) C4'-P energy: -137.047 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -159.661 flat angles P-C4'-P energy: -95.111 tors. eta vs tors. theta energy: -210.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2326.610040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.610040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.610040 (E_RNA) where: Base-Base interactions energy: -1606.798 where: short stacking energy: -674.051 Base-Backbone interact. energy: -3.067 local terms energy: -716.745707 where: bonds (distance) C4'-P energy: -142.618 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -156.926 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -184.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2249.008375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.008375 (E_RNA) where: Base-Base interactions energy: -1570.590 where: short stacking energy: -665.208 Base-Backbone interact. energy: -1.888 local terms energy: -676.530640 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -111.186 flat angles C4'-P-C4' energy: -157.639 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -177.470 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: 420 Temperature: 1.150000 Total energy: -1996.478478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.478478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.478478 (E_RNA) where: Base-Base interactions energy: -1364.250 where: short stacking energy: -556.923 Base-Backbone interact. energy: 1.535 local terms energy: -633.763262 where: bonds (distance) C4'-P energy: -118.807 bonds (distance) P-C4' energy: -136.183 flat angles C4'-P-C4' energy: -139.705 flat angles P-C4'-P energy: -98.558 tors. eta vs tors. theta energy: -140.511 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: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1640.006304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.006304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.006304 (E_RNA) where: Base-Base interactions energy: -1085.833 where: short stacking energy: -500.679 Base-Backbone interact. energy: -4.002 local terms energy: -550.171654 where: bonds (distance) C4'-P energy: -126.180 bonds (distance) P-C4' energy: -135.661 flat angles C4'-P-C4' energy: -122.847 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: -95.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1602.174157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.174157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.174157 (E_RNA) where: Base-Base interactions energy: -1046.782 where: short stacking energy: -464.642 Base-Backbone interact. energy: 0.063 local terms energy: -555.455406 where: bonds (distance) C4'-P energy: -118.561 bonds (distance) P-C4' energy: -139.107 flat angles C4'-P-C4' energy: -115.897 flat angles P-C4'-P energy: -73.516 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: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1306.734432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.734432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.734432 (E_RNA) where: Base-Base interactions energy: -805.132 where: short stacking energy: -387.453 Base-Backbone interact. energy: -2.911 local terms energy: -498.691417 where: bonds (distance) C4'-P energy: -113.535 bonds (distance) P-C4' energy: -122.260 flat angles C4'-P-C4' energy: -117.252 flat angles P-C4'-P energy: -73.736 tors. eta vs tors. theta energy: -71.909 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: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1048.485399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.485399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.485399 (E_RNA) where: Base-Base interactions energy: -655.450 where: short stacking energy: -308.381 Base-Backbone interact. energy: 11.108 local terms energy: -404.144165 where: bonds (distance) C4'-P energy: -83.772 bonds (distance) P-C4' energy: -111.138 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -72.108 tors. eta vs tors. theta energy: -27.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2826.714134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.714134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.714134 (E_RNA) where: Base-Base interactions energy: -1976.394 where: short stacking energy: -826.708 Base-Backbone interact. energy: -1.764 local terms energy: -848.556708 where: bonds (distance) C4'-P energy: -147.556 bonds (distance) P-C4' energy: -153.571 flat angles C4'-P-C4' energy: -175.522 flat angles P-C4'-P energy: -122.795 tors. eta vs tors. theta energy: -249.113 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: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2650.878349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.878349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.878349 (E_RNA) where: Base-Base interactions energy: -1876.619 where: short stacking energy: -759.040 Base-Backbone interact. energy: -2.302 local terms energy: -771.957852 where: bonds (distance) C4'-P energy: -140.613 bonds (distance) P-C4' energy: -133.526 flat angles C4'-P-C4' energy: -166.369 flat angles P-C4'-P energy: -112.234 tors. eta vs tors. theta energy: -219.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2511.677488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.677488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.677488 (E_RNA) where: Base-Base interactions energy: -1758.587 where: short stacking energy: -726.973 Base-Backbone interact. energy: -1.397 local terms energy: -751.694174 where: bonds (distance) C4'-P energy: -153.300 bonds (distance) P-C4' energy: -134.287 flat angles C4'-P-C4' energy: -154.636 flat angles P-C4'-P energy: -112.788 tors. eta vs tors. theta energy: -196.684 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: 421 Temperature: 1.050000 Total energy: -2308.569361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.569361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.569361 (E_RNA) where: Base-Base interactions energy: -1594.011 where: short stacking energy: -687.738 Base-Backbone interact. energy: -0.974 local terms energy: -713.583733 where: bonds (distance) C4'-P energy: -129.875 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -159.217 flat angles P-C4'-P energy: -103.328 tors. eta vs tors. theta energy: -181.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2252.584449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.584449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.584449 (E_RNA) where: Base-Base interactions energy: -1569.602 where: short stacking energy: -644.001 Base-Backbone interact. energy: -2.693 local terms energy: -680.289538 where: bonds (distance) C4'-P energy: -108.590 bonds (distance) P-C4' energy: -147.553 flat angles C4'-P-C4' energy: -155.210 flat angles P-C4'-P energy: -96.048 tors. eta vs tors. theta energy: -172.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1994.760876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.760876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.760876 (E_RNA) where: Base-Base interactions energy: -1378.270 where: short stacking energy: -574.938 Base-Backbone interact. energy: -4.451 local terms energy: -612.040619 where: bonds (distance) C4'-P energy: -128.028 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -130.413 flat angles P-C4'-P energy: -97.683 tors. eta vs tors. theta energy: -124.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1662.174310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.174310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.174310 (E_RNA) where: Base-Base interactions energy: -1068.547 where: short stacking energy: -465.934 Base-Backbone interact. energy: -1.913 local terms energy: -591.715033 where: bonds (distance) C4'-P energy: -134.106 bonds (distance) P-C4' energy: -128.869 flat angles C4'-P-C4' energy: -144.585 flat angles P-C4'-P energy: -81.908 tors. eta vs tors. theta energy: -102.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1621.064371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.064371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.064371 (E_RNA) where: Base-Base interactions energy: -1048.247 where: short stacking energy: -495.094 Base-Backbone interact. energy: 0.388 local terms energy: -573.205719 where: bonds (distance) C4'-P energy: -116.774 bonds (distance) P-C4' energy: -113.696 flat angles C4'-P-C4' energy: -134.628 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -121.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1327.799356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.799356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.799356 (E_RNA) where: Base-Base interactions energy: -831.816 where: short stacking energy: -393.988 Base-Backbone interact. energy: -4.633 local terms energy: -491.350235 where: bonds (distance) C4'-P energy: -95.092 bonds (distance) P-C4' energy: -124.050 flat angles C4'-P-C4' energy: -140.705 flat angles P-C4'-P energy: -65.030 tors. eta vs tors. theta energy: -66.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1013.074324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.074324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.074324 (E_RNA) where: Base-Base interactions energy: -587.622 where: short stacking energy: -285.748 Base-Backbone interact. energy: 3.827 local terms energy: -429.279338 where: bonds (distance) C4'-P energy: -117.005 bonds (distance) P-C4' energy: -130.472 flat angles C4'-P-C4' energy: -90.932 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -28.902 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: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2808.659171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.659171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.659171 (E_RNA) where: Base-Base interactions energy: -1976.658 where: short stacking energy: -833.258 Base-Backbone interact. energy: -1.082 local terms energy: -830.919317 where: bonds (distance) C4'-P energy: -150.634 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -179.184 flat angles P-C4'-P energy: -112.033 tors. eta vs tors. theta energy: -243.849 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: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2617.898436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.898436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.898436 (E_RNA) where: Base-Base interactions energy: -1836.755 where: short stacking energy: -767.203 Base-Backbone interact. energy: -2.775 local terms energy: -778.368573 where: bonds (distance) C4'-P energy: -137.480 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -161.206 flat angles P-C4'-P energy: -110.240 tors. eta vs tors. theta energy: -219.519 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2555.054193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.054193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.054193 (E_RNA) where: Base-Base interactions energy: -1797.904 where: short stacking energy: -749.637 Base-Backbone interact. energy: -0.338 local terms energy: -756.812051 where: bonds (distance) C4'-P energy: -151.186 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -163.679 flat angles P-C4'-P energy: -100.469 tors. eta vs tors. theta energy: -199.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2399.008759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.008759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.008759 (E_RNA) where: Base-Base interactions energy: -1642.988 where: short stacking energy: -675.767 Base-Backbone interact. energy: -1.157 local terms energy: -754.863428 where: bonds (distance) C4'-P energy: -144.611 bonds (distance) P-C4' energy: -136.778 flat angles C4'-P-C4' energy: -161.690 flat angles P-C4'-P energy: -111.646 tors. eta vs tors. theta energy: -200.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2202.224744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.224744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.224744 (E_RNA) where: Base-Base interactions energy: -1536.147 where: short stacking energy: -641.644 Base-Backbone interact. energy: -4.592 local terms energy: -661.485194 where: bonds (distance) C4'-P energy: -124.585 bonds (distance) P-C4' energy: -144.152 flat angles C4'-P-C4' energy: -138.480 flat angles P-C4'-P energy: -81.400 tors. eta vs tors. theta energy: -172.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1985.581070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.581070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.581070 (E_RNA) where: Base-Base interactions energy: -1375.931 where: short stacking energy: -578.076 Base-Backbone interact. energy: -1.683 local terms energy: -607.967048 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -146.118 flat angles P-C4'-P energy: -84.055 tors. eta vs tors. theta energy: -128.059 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: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1806.307654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.307654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.307654 (E_RNA) where: Base-Base interactions energy: -1193.209 where: short stacking energy: -553.787 Base-Backbone interact. energy: -4.423 local terms energy: -608.674933 where: bonds (distance) C4'-P energy: -111.380 bonds (distance) P-C4' energy: -138.093 flat angles C4'-P-C4' energy: -134.116 flat angles P-C4'-P energy: -84.692 tors. eta vs tors. theta energy: -140.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1502.619419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.619419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.619419 (E_RNA) where: Base-Base interactions energy: -984.033 where: short stacking energy: -431.052 Base-Backbone interact. energy: -0.626 local terms energy: -517.960792 where: bonds (distance) C4'-P energy: -105.639 bonds (distance) P-C4' energy: -120.338 flat angles C4'-P-C4' energy: -121.704 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -98.422 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: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1380.079629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.079629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.079629 (E_RNA) where: Base-Base interactions energy: -846.827 where: short stacking energy: -385.322 Base-Backbone interact. energy: -1.889 local terms energy: -531.364563 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -127.637 flat angles C4'-P-C4' energy: -128.070 flat angles P-C4'-P energy: -94.976 tors. eta vs tors. theta energy: -58.832 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: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1072.525765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.525765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.525765 (E_RNA) where: Base-Base interactions energy: -616.713 where: short stacking energy: -300.693 Base-Backbone interact. energy: 2.161 local terms energy: -457.973747 where: bonds (distance) C4'-P energy: -120.183 bonds (distance) P-C4' energy: -141.686 flat angles C4'-P-C4' energy: -88.627 flat angles P-C4'-P energy: -77.491 tors. eta vs tors. theta energy: -29.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2820.782194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.782194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.782194 (E_RNA) where: Base-Base interactions energy: -1995.081 where: short stacking energy: -834.275 Base-Backbone interact. energy: -2.183 local terms energy: -823.518846 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -188.211 flat angles P-C4'-P energy: -119.398 tors. eta vs tors. theta energy: -236.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2655.213554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.213554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.213554 (E_RNA) where: Base-Base interactions energy: -1870.919 where: short stacking energy: -784.971 Base-Backbone interact. energy: 3.815 local terms energy: -788.109465 where: bonds (distance) C4'-P energy: -137.109 bonds (distance) P-C4' energy: -151.033 flat angles C4'-P-C4' energy: -167.761 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -220.949 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: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2529.321155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.321155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.321155 (E_RNA) where: Base-Base interactions energy: -1774.103 where: short stacking energy: -725.569 Base-Backbone interact. energy: -1.455 local terms energy: -753.763043 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -128.536 flat angles C4'-P-C4' energy: -157.488 flat angles P-C4'-P energy: -124.207 tors. eta vs tors. theta energy: -205.427 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: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2340.736754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.736754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.736754 (E_RNA) where: Base-Base interactions energy: -1607.569 where: short stacking energy: -678.564 Base-Backbone interact. energy: 0.661 local terms energy: -733.828600 where: bonds (distance) C4'-P energy: -141.442 bonds (distance) P-C4' energy: -129.929 flat angles C4'-P-C4' energy: -159.432 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -197.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2254.547518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.547518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.547518 (E_RNA) where: Base-Base interactions energy: -1547.958 where: short stacking energy: -648.051 Base-Backbone interact. energy: -4.076 local terms energy: -702.513400 where: bonds (distance) C4'-P energy: -124.964 bonds (distance) P-C4' energy: -138.329 flat angles C4'-P-C4' energy: -161.879 flat angles P-C4'-P energy: -103.721 tors. eta vs tors. theta energy: -173.619 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: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2010.887258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.887258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.887258 (E_RNA) where: Base-Base interactions energy: -1381.473 where: short stacking energy: -578.215 Base-Backbone interact. energy: -1.380 local terms energy: -628.034103 where: bonds (distance) C4'-P energy: -122.450 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -150.748 flat angles P-C4'-P energy: -95.862 tors. eta vs tors. theta energy: -138.876 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1824.426644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.426644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.426644 (E_RNA) where: Base-Base interactions energy: -1219.488 where: short stacking energy: -535.825 Base-Backbone interact. energy: 2.727 local terms energy: -607.666111 where: bonds (distance) C4'-P energy: -136.416 bonds (distance) P-C4' energy: -134.101 flat angles C4'-P-C4' energy: -120.569 flat angles P-C4'-P energy: -82.253 tors. eta vs tors. theta energy: -134.327 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: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1492.224794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.224794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.224794 (E_RNA) where: Base-Base interactions energy: -958.110 where: short stacking energy: -456.900 Base-Backbone interact. energy: -0.460 local terms energy: -533.655006 where: bonds (distance) C4'-P energy: -106.801 bonds (distance) P-C4' energy: -117.914 flat angles C4'-P-C4' energy: -135.207 flat angles P-C4'-P energy: -84.811 tors. eta vs tors. theta energy: -88.922 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1285.866395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.866395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.866395 (E_RNA) where: Base-Base interactions energy: -808.468 where: short stacking energy: -374.037 Base-Backbone interact. energy: -2.179 local terms energy: -475.218873 where: bonds (distance) C4'-P energy: -120.069 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -100.184 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -68.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -982.670317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.670317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.670317 (E_RNA) where: Base-Base interactions energy: -548.298 where: short stacking energy: -264.859 Base-Backbone interact. energy: 0.679 local terms energy: -435.051152 where: bonds (distance) C4'-P energy: -110.954 bonds (distance) P-C4' energy: -127.682 flat angles C4'-P-C4' energy: -107.348 flat angles P-C4'-P energy: -62.044 tors. eta vs tors. theta energy: -27.023 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: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2824.027880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.027880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.027880 (E_RNA) where: Base-Base interactions energy: -1970.132 where: short stacking energy: -848.175 Base-Backbone interact. energy: -1.342 local terms energy: -852.553325 where: bonds (distance) C4'-P energy: -159.465 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -172.908 flat angles P-C4'-P energy: -108.885 tors. eta vs tors. theta energy: -262.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2632.867904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.867904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.867904 (E_RNA) where: Base-Base interactions energy: -1827.361 where: short stacking energy: -772.088 Base-Backbone interact. energy: -0.397 local terms energy: -805.110218 where: bonds (distance) C4'-P energy: -154.530 bonds (distance) P-C4' energy: -148.929 flat angles C4'-P-C4' energy: -179.700 flat angles P-C4'-P energy: -99.214 tors. eta vs tors. theta energy: -222.737 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: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2519.131861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.131861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.131861 (E_RNA) where: Base-Base interactions energy: -1760.809 where: short stacking energy: -712.112 Base-Backbone interact. energy: -3.291 local terms energy: -755.031554 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -145.346 flat angles C4'-P-C4' energy: -154.752 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -196.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2331.111227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.111227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.111227 (E_RNA) where: Base-Base interactions energy: -1624.892 where: short stacking energy: -708.915 Base-Backbone interact. energy: -2.900 local terms energy: -703.318695 where: bonds (distance) C4'-P energy: -124.448 bonds (distance) P-C4' energy: -128.620 flat angles C4'-P-C4' energy: -147.072 flat angles P-C4'-P energy: -110.581 tors. eta vs tors. theta energy: -192.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2288.257253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.257253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.257253 (E_RNA) where: Base-Base interactions energy: -1580.029 where: short stacking energy: -653.939 Base-Backbone interact. energy: 0.303 local terms energy: -708.531519 where: bonds (distance) C4'-P energy: -125.023 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -156.085 flat angles P-C4'-P energy: -98.671 tors. eta vs tors. theta energy: -187.298 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: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2027.477422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.477422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.477422 (E_RNA) where: Base-Base interactions energy: -1385.621 where: short stacking energy: -598.894 Base-Backbone interact. energy: -2.359 local terms energy: -639.497271 where: bonds (distance) C4'-P energy: -127.647 bonds (distance) P-C4' energy: -123.591 flat angles C4'-P-C4' energy: -152.937 flat angles P-C4'-P energy: -81.836 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: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1830.151941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.151941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.151941 (E_RNA) where: Base-Base interactions energy: -1225.205 where: short stacking energy: -564.195 Base-Backbone interact. energy: -2.060 local terms energy: -602.886115 where: bonds (distance) C4'-P energy: -119.567 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -89.897 tors. eta vs tors. theta energy: -136.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1484.505613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.505613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.505613 (E_RNA) where: Base-Base interactions energy: -940.885 where: short stacking energy: -441.679 Base-Backbone interact. energy: -0.892 local terms energy: -542.728099 where: bonds (distance) C4'-P energy: -96.987 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -126.723 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -93.357 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: 424 Temperature: 1.300000 Total energy: -1335.675913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.675913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.675913 (E_RNA) where: Base-Base interactions energy: -846.635 where: short stacking energy: -422.159 Base-Backbone interact. energy: 0.782 local terms energy: -489.822892 where: bonds (distance) C4'-P energy: -109.748 bonds (distance) P-C4' energy: -121.477 flat angles C4'-P-C4' energy: -121.521 flat angles P-C4'-P energy: -65.576 tors. eta vs tors. theta energy: -71.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -998.171969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.171969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.171969 (E_RNA) where: Base-Base interactions energy: -592.336 where: short stacking energy: -286.685 Base-Backbone interact. energy: -0.894 local terms energy: -404.941679 where: bonds (distance) C4'-P energy: -122.209 bonds (distance) P-C4' energy: -106.092 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -18.341 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: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2807.822967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.822967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.822967 (E_RNA) where: Base-Base interactions energy: -1982.889 where: short stacking energy: -839.342 Base-Backbone interact. energy: 1.675 local terms energy: -826.609033 where: bonds (distance) C4'-P energy: -141.063 bonds (distance) P-C4' energy: -159.207 flat angles C4'-P-C4' energy: -168.495 flat angles P-C4'-P energy: -104.701 tors. eta vs tors. theta energy: -253.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2659.085472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.085472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.085472 (E_RNA) where: Base-Base interactions energy: -1879.642 where: short stacking energy: -756.071 Base-Backbone interact. energy: -1.219 local terms energy: -778.224197 where: bonds (distance) C4'-P energy: -134.491 bonds (distance) P-C4' energy: -143.725 flat angles C4'-P-C4' energy: -173.331 flat angles P-C4'-P energy: -114.724 tors. eta vs tors. theta energy: -211.952 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: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2564.111244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.111244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.111244 (E_RNA) where: Base-Base interactions energy: -1794.777 where: short stacking energy: -745.076 Base-Backbone interact. energy: 2.989 local terms energy: -772.323245 where: bonds (distance) C4'-P energy: -144.687 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -166.588 flat angles P-C4'-P energy: -111.445 tors. eta vs tors. theta energy: -199.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2330.639441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.639441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.639441 (E_RNA) where: Base-Base interactions energy: -1602.387 where: short stacking energy: -682.201 Base-Backbone interact. energy: -6.149 local terms energy: -722.103063 where: bonds (distance) C4'-P energy: -143.655 bonds (distance) P-C4' energy: -146.193 flat angles C4'-P-C4' energy: -157.500 flat angles P-C4'-P energy: -81.619 tors. eta vs tors. theta energy: -193.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2240.189171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.189171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.189171 (E_RNA) where: Base-Base interactions energy: -1554.159 where: short stacking energy: -662.830 Base-Backbone interact. energy: -0.997 local terms energy: -685.032500 where: bonds (distance) C4'-P energy: -136.348 bonds (distance) P-C4' energy: -127.572 flat angles C4'-P-C4' energy: -162.399 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -172.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2095.780961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.780961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.780961 (E_RNA) where: Base-Base interactions energy: -1401.968 where: short stacking energy: -610.783 Base-Backbone interact. energy: 1.126 local terms energy: -694.938884 where: bonds (distance) C4'-P energy: -136.140 bonds (distance) P-C4' energy: -146.871 flat angles C4'-P-C4' energy: -158.159 flat angles P-C4'-P energy: -97.540 tors. eta vs tors. theta energy: -156.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1821.920049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.920049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.920049 (E_RNA) where: Base-Base interactions energy: -1214.143 where: short stacking energy: -552.446 Base-Backbone interact. energy: -1.347 local terms energy: -606.430511 where: bonds (distance) C4'-P energy: -127.280 bonds (distance) P-C4' energy: -127.131 flat angles C4'-P-C4' energy: -138.973 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -136.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1450.743716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.743716 (E_RNA) where: Base-Base interactions energy: -931.427 where: short stacking energy: -436.839 Base-Backbone interact. energy: -0.036 local terms energy: -519.281399 where: bonds (distance) C4'-P energy: -120.044 bonds (distance) P-C4' energy: -118.343 flat angles C4'-P-C4' energy: -124.549 flat angles P-C4'-P energy: -68.363 tors. eta vs tors. theta energy: -87.982 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1367.164042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.164042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.164042 (E_RNA) where: Base-Base interactions energy: -824.689 where: short stacking energy: -364.196 Base-Backbone interact. energy: -1.199 local terms energy: -541.275313 where: bonds (distance) C4'-P energy: -120.536 bonds (distance) P-C4' energy: -139.127 flat angles C4'-P-C4' energy: -116.144 flat angles P-C4'-P energy: -83.774 tors. eta vs tors. theta energy: -81.694 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1023.479686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.479686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.479686 (E_RNA) where: Base-Base interactions energy: -604.681 where: short stacking energy: -252.407 Base-Backbone interact. energy: 5.897 local terms energy: -424.695989 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -122.415 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2821.587369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.587369 (E_RNA) where: Base-Base interactions energy: -1972.930 where: short stacking energy: -827.038 Base-Backbone interact. energy: -4.496 local terms energy: -844.161374 where: bonds (distance) C4'-P energy: -146.169 bonds (distance) P-C4' energy: -141.006 flat angles C4'-P-C4' energy: -178.773 flat angles P-C4'-P energy: -123.878 tors. eta vs tors. theta energy: -254.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2672.702163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.702163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.702163 (E_RNA) where: Base-Base interactions energy: -1864.684 where: short stacking energy: -752.258 Base-Backbone interact. energy: -1.155 local terms energy: -806.862887 where: bonds (distance) C4'-P energy: -145.121 bonds (distance) P-C4' energy: -142.717 flat angles C4'-P-C4' energy: -172.893 flat angles P-C4'-P energy: -116.035 tors. eta vs tors. theta energy: -230.096 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: 426 Temperature: 1.000000 Total energy: -2522.760567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.760567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.760567 (E_RNA) where: Base-Base interactions energy: -1781.970 where: short stacking energy: -725.923 Base-Backbone interact. energy: -3.132 local terms energy: -737.658742 where: bonds (distance) C4'-P energy: -137.459 bonds (distance) P-C4' energy: -142.692 flat angles C4'-P-C4' energy: -151.397 flat angles P-C4'-P energy: -108.509 tors. eta vs tors. theta energy: -197.602 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: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2384.540068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.540068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.540068 (E_RNA) where: Base-Base interactions energy: -1663.266 where: short stacking energy: -701.320 Base-Backbone interact. energy: -4.007 local terms energy: -717.267004 where: bonds (distance) C4'-P energy: -112.492 bonds (distance) P-C4' energy: -146.346 flat angles C4'-P-C4' energy: -163.390 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -197.776 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: 426 Temperature: 1.100000 Total energy: -2128.225457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.225457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.225457 (E_RNA) where: Base-Base interactions energy: -1449.488 where: short stacking energy: -634.086 Base-Backbone interact. energy: -0.894 local terms energy: -677.843507 where: bonds (distance) C4'-P energy: -120.541 bonds (distance) P-C4' energy: -118.635 flat angles C4'-P-C4' energy: -157.859 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -175.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2119.923709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.923709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.923709 (E_RNA) where: Base-Base interactions energy: -1482.181 where: short stacking energy: -609.192 Base-Backbone interact. energy: -1.857 local terms energy: -635.885750 where: bonds (distance) C4'-P energy: -102.647 bonds (distance) P-C4' energy: -132.848 flat angles C4'-P-C4' energy: -151.035 flat angles P-C4'-P energy: -86.244 tors. eta vs tors. theta energy: -163.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1753.045157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.045157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.045157 (E_RNA) where: Base-Base interactions energy: -1172.962 where: short stacking energy: -485.950 Base-Backbone interact. energy: 3.968 local terms energy: -584.051054 where: bonds (distance) C4'-P energy: -124.354 bonds (distance) P-C4' energy: -126.665 flat angles C4'-P-C4' energy: -123.119 flat angles P-C4'-P energy: -84.019 tors. eta vs tors. theta energy: -125.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1431.237717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.237717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.237717 (E_RNA) where: Base-Base interactions energy: -903.478 where: short stacking energy: -403.577 Base-Backbone interact. energy: 1.288 local terms energy: -529.046889 where: bonds (distance) C4'-P energy: -118.557 bonds (distance) P-C4' energy: -133.252 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -75.713 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: 426 Temperature: 1.300000 Total energy: -1386.504552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.504552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.504552 (E_RNA) where: Base-Base interactions energy: -912.113 where: short stacking energy: -379.641 Base-Backbone interact. energy: -3.329 local terms energy: -471.062909 where: bonds (distance) C4'-P energy: -109.437 bonds (distance) P-C4' energy: -117.418 flat angles C4'-P-C4' energy: -104.535 flat angles P-C4'-P energy: -72.758 tors. eta vs tors. theta energy: -66.915 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: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -999.454862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.454862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.454862 (E_RNA) where: Base-Base interactions energy: -584.730 where: short stacking energy: -266.847 Base-Backbone interact. energy: 0.278 local terms energy: -415.002383 where: bonds (distance) C4'-P energy: -116.068 bonds (distance) P-C4' energy: -118.614 flat angles C4'-P-C4' energy: -101.428 flat angles P-C4'-P energy: -53.275 tors. eta vs tors. theta energy: -25.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2835.104042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.104042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.104042 (E_RNA) where: Base-Base interactions energy: -1996.034 where: short stacking energy: -833.956 Base-Backbone interact. energy: -3.461 local terms energy: -835.609640 where: bonds (distance) C4'-P energy: -157.626 bonds (distance) P-C4' energy: -137.924 flat angles C4'-P-C4' energy: -174.563 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -248.753 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: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2651.725904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.725904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.725904 (E_RNA) where: Base-Base interactions energy: -1879.152 where: short stacking energy: -766.316 Base-Backbone interact. energy: -0.901 local terms energy: -771.673394 where: bonds (distance) C4'-P energy: -137.583 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -159.773 flat angles P-C4'-P energy: -106.199 tors. eta vs tors. theta energy: -220.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2516.328015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.328015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.328015 (E_RNA) where: Base-Base interactions energy: -1759.820 where: short stacking energy: -691.722 Base-Backbone interact. energy: -2.237 local terms energy: -754.270382 where: bonds (distance) C4'-P energy: -152.109 bonds (distance) P-C4' energy: -145.103 flat angles C4'-P-C4' energy: -160.762 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -192.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2386.828119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.828119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.828119 (E_RNA) where: Base-Base interactions energy: -1644.856 where: short stacking energy: -689.624 Base-Backbone interact. energy: 2.134 local terms energy: -744.106945 where: bonds (distance) C4'-P energy: -148.156 bonds (distance) P-C4' energy: -133.912 flat angles C4'-P-C4' energy: -169.434 flat angles P-C4'-P energy: -97.707 tors. eta vs tors. theta energy: -194.898 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: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2175.288222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.288222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.288222 (E_RNA) where: Base-Base interactions energy: -1478.910 where: short stacking energy: -640.347 Base-Backbone interact. energy: 1.690 local terms energy: -698.068804 where: bonds (distance) C4'-P energy: -123.381 bonds (distance) P-C4' energy: -147.579 flat angles C4'-P-C4' energy: -157.080 flat angles P-C4'-P energy: -89.746 tors. eta vs tors. theta energy: -180.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2105.227372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.227372 (E_RNA) where: Base-Base interactions energy: -1452.846 where: short stacking energy: -598.289 Base-Backbone interact. energy: 1.131 local terms energy: -653.512464 where: bonds (distance) C4'-P energy: -122.684 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -144.638 flat angles P-C4'-P energy: -97.090 tors. eta vs tors. theta energy: -157.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1810.926544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.926544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.926544 (E_RNA) where: Base-Base interactions energy: -1230.455 where: short stacking energy: -535.870 Base-Backbone interact. energy: 9.247 local terms energy: -589.718530 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -136.552 flat angles P-C4'-P energy: -79.760 tors. eta vs tors. theta energy: -123.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1424.657435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.657435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.657435 (E_RNA) where: Base-Base interactions energy: -906.052 where: short stacking energy: -403.628 Base-Backbone interact. energy: -0.477 local terms energy: -518.128404 where: bonds (distance) C4'-P energy: -104.807 bonds (distance) P-C4' energy: -132.922 flat angles C4'-P-C4' energy: -130.746 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -75.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1412.984123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.984123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.984123 (E_RNA) where: Base-Base interactions energy: -909.452 where: short stacking energy: -430.011 Base-Backbone interact. energy: 2.678 local terms energy: -506.210365 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -115.168 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -86.637 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: 427 Temperature: 1.350000 Total energy: -935.189019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.189019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.189019 (E_RNA) where: Base-Base interactions energy: -486.064 where: short stacking energy: -242.816 Base-Backbone interact. energy: 1.018 local terms energy: -450.143016 where: bonds (distance) C4'-P energy: -129.791 bonds (distance) P-C4' energy: -131.983 flat angles C4'-P-C4' energy: -109.383 flat angles P-C4'-P energy: -67.244 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2816.099737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.099737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.099737 (E_RNA) where: Base-Base interactions energy: -1979.731 where: short stacking energy: -822.819 Base-Backbone interact. energy: -1.750 local terms energy: -834.619196 where: bonds (distance) C4'-P energy: -166.739 bonds (distance) P-C4' energy: -130.809 flat angles C4'-P-C4' energy: -169.449 flat angles P-C4'-P energy: -118.888 tors. eta vs tors. theta energy: -248.735 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: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2676.209542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.209542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.209542 (E_RNA) where: Base-Base interactions energy: -1891.082 where: short stacking energy: -779.657 Base-Backbone interact. energy: -1.747 local terms energy: -783.380040 where: bonds (distance) C4'-P energy: -142.759 bonds (distance) P-C4' energy: -142.696 flat angles C4'-P-C4' energy: -163.032 flat angles P-C4'-P energy: -108.804 tors. eta vs tors. theta energy: -226.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2511.678214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.678214 (E_RNA) where: Base-Base interactions energy: -1784.205 where: short stacking energy: -734.356 Base-Backbone interact. energy: -1.823 local terms energy: -725.649778 where: bonds (distance) C4'-P energy: -125.836 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -166.386 flat angles P-C4'-P energy: -112.667 tors. eta vs tors. theta energy: -195.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2342.252699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.252699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.252699 (E_RNA) where: Base-Base interactions energy: -1625.716 where: short stacking energy: -691.875 Base-Backbone interact. energy: -4.047 local terms energy: -712.489465 where: bonds (distance) C4'-P energy: -148.786 bonds (distance) P-C4' energy: -131.916 flat angles C4'-P-C4' energy: -132.093 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -198.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2124.350624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.350624 (E_RNA) where: Base-Base interactions energy: -1429.256 where: short stacking energy: -626.773 Base-Backbone interact. energy: -1.041 local terms energy: -694.053173 where: bonds (distance) C4'-P energy: -131.999 bonds (distance) P-C4' energy: -137.873 flat angles C4'-P-C4' energy: -167.931 flat angles P-C4'-P energy: -85.718 tors. eta vs tors. theta energy: -170.532 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: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2088.330981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.330981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.330981 (E_RNA) where: Base-Base interactions energy: -1422.995 where: short stacking energy: -632.001 Base-Backbone interact. energy: -3.594 local terms energy: -661.742069 where: bonds (distance) C4'-P energy: -110.361 bonds (distance) P-C4' energy: -131.612 flat angles C4'-P-C4' energy: -151.075 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -172.549 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1718.482736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.482736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.482736 (E_RNA) where: Base-Base interactions energy: -1161.227 where: short stacking energy: -484.625 Base-Backbone interact. energy: -1.416 local terms energy: -555.840192 where: bonds (distance) C4'-P energy: -117.056 bonds (distance) P-C4' energy: -141.902 flat angles C4'-P-C4' energy: -128.373 flat angles P-C4'-P energy: -70.673 tors. eta vs tors. theta energy: -97.835 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: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1356.722283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.722283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.722283 (E_RNA) where: Base-Base interactions energy: -859.809 where: short stacking energy: -387.227 Base-Backbone interact. energy: -0.035 local terms energy: -496.877945 where: bonds (distance) C4'-P energy: -118.062 bonds (distance) P-C4' energy: -129.183 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -64.490 tors. eta vs tors. theta energy: -58.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1401.178445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.178445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.178445 (E_RNA) where: Base-Base interactions energy: -905.341 where: short stacking energy: -387.192 Base-Backbone interact. energy: -3.728 local terms energy: -492.109499 where: bonds (distance) C4'-P energy: -119.138 bonds (distance) P-C4' energy: -118.259 flat angles C4'-P-C4' energy: -108.056 flat angles P-C4'-P energy: -80.423 tors. eta vs tors. theta energy: -66.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -936.126946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.126946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.126946 (E_RNA) where: Base-Base interactions energy: -518.402 where: short stacking energy: -264.305 Base-Backbone interact. energy: 4.725 local terms energy: -422.450818 where: bonds (distance) C4'-P energy: -140.048 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -101.699 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: 6.521 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: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2800.615015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.615015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.615015 (E_RNA) where: Base-Base interactions energy: -1953.162 where: short stacking energy: -804.160 Base-Backbone interact. energy: -2.654 local terms energy: -844.798786 where: bonds (distance) C4'-P energy: -158.639 bonds (distance) P-C4' energy: -155.209 flat angles C4'-P-C4' energy: -177.808 flat angles P-C4'-P energy: -121.162 tors. eta vs tors. theta energy: -231.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2636.415053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.415053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.415053 (E_RNA) where: Base-Base interactions energy: -1830.030 where: short stacking energy: -773.566 Base-Backbone interact. energy: -2.004 local terms energy: -804.380721 where: bonds (distance) C4'-P energy: -147.650 bonds (distance) P-C4' energy: -146.671 flat angles C4'-P-C4' energy: -158.905 flat angles P-C4'-P energy: -122.533 tors. eta vs tors. theta energy: -228.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2543.975708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.975708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.975708 (E_RNA) where: Base-Base interactions energy: -1793.095 where: short stacking energy: -730.745 Base-Backbone interact. energy: -3.052 local terms energy: -747.829515 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -154.899 flat angles C4'-P-C4' energy: -170.895 flat angles P-C4'-P energy: -95.665 tors. eta vs tors. theta energy: -201.184 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: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2366.681440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.681440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.681440 (E_RNA) where: Base-Base interactions energy: -1658.793 where: short stacking energy: -684.502 Base-Backbone interact. energy: 1.192 local terms energy: -709.079941 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -117.813 flat angles C4'-P-C4' energy: -149.542 flat angles P-C4'-P energy: -115.583 tors. eta vs tors. theta energy: -186.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2212.889701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.889701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.889701 (E_RNA) where: Base-Base interactions energy: -1525.740 where: short stacking energy: -672.321 Base-Backbone interact. energy: 1.644 local terms energy: -688.793588 where: bonds (distance) C4'-P energy: -124.413 bonds (distance) P-C4' energy: -121.981 flat angles C4'-P-C4' energy: -152.311 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -185.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2113.717170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.717170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.717170 (E_RNA) where: Base-Base interactions energy: -1439.237 where: short stacking energy: -604.121 Base-Backbone interact. energy: -1.977 local terms energy: -672.502634 where: bonds (distance) C4'-P energy: -140.076 bonds (distance) P-C4' energy: -140.144 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -166.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1806.750719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.750719 (E_RNA) where: Base-Base interactions energy: -1189.554 where: short stacking energy: -526.981 Base-Backbone interact. energy: -0.085 local terms energy: -617.111979 where: bonds (distance) C4'-P energy: -109.161 bonds (distance) P-C4' energy: -132.400 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -135.706 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1494.528781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.528781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.528781 (E_RNA) where: Base-Base interactions energy: -950.731 where: short stacking energy: -413.546 Base-Backbone interact. energy: -0.841 local terms energy: -542.956685 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -123.540 flat angles C4'-P-C4' energy: -140.094 flat angles P-C4'-P energy: -66.107 tors. eta vs tors. theta energy: -91.688 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: 429 Temperature: 1.300000 Total energy: -1381.765067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.765067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.765067 (E_RNA) where: Base-Base interactions energy: -887.712 where: short stacking energy: -405.469 Base-Backbone interact. energy: 3.954 local terms energy: -498.007208 where: bonds (distance) C4'-P energy: -114.374 bonds (distance) P-C4' energy: -108.363 flat angles C4'-P-C4' energy: -121.103 flat angles P-C4'-P energy: -62.938 tors. eta vs tors. theta energy: -91.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -948.000782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.000782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.000782 (E_RNA) where: Base-Base interactions energy: -511.827 where: short stacking energy: -260.072 Base-Backbone interact. energy: -1.326 local terms energy: -434.848708 where: bonds (distance) C4'-P energy: -110.916 bonds (distance) P-C4' energy: -135.169 flat angles C4'-P-C4' energy: -107.627 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -25.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2795.020346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.020346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.020346 (E_RNA) where: Base-Base interactions energy: -1997.133 where: short stacking energy: -807.893 Base-Backbone interact. energy: -2.458 local terms energy: -795.429162 where: bonds (distance) C4'-P energy: -127.079 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -176.604 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -238.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2675.370721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.370721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.370721 (E_RNA) where: Base-Base interactions energy: -1854.237 where: short stacking energy: -759.573 Base-Backbone interact. energy: -0.239 local terms energy: -820.894928 where: bonds (distance) C4'-P energy: -153.509 bonds (distance) P-C4' energy: -164.554 flat angles C4'-P-C4' energy: -172.642 flat angles P-C4'-P energy: -106.736 tors. eta vs tors. theta energy: -223.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2546.399948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.399948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.399948 (E_RNA) where: Base-Base interactions energy: -1814.735 where: short stacking energy: -722.141 Base-Backbone interact. energy: -5.385 local terms energy: -726.279366 where: bonds (distance) C4'-P energy: -134.020 bonds (distance) P-C4' energy: -136.252 flat angles C4'-P-C4' energy: -159.255 flat angles P-C4'-P energy: -96.680 tors. eta vs tors. theta energy: -200.072 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: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2388.688034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.688034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.688034 (E_RNA) where: Base-Base interactions energy: -1638.029 where: short stacking energy: -713.085 Base-Backbone interact. energy: 3.570 local terms energy: -754.228554 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -135.123 flat angles C4'-P-C4' energy: -170.954 flat angles P-C4'-P energy: -117.842 tors. eta vs tors. theta energy: -202.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2174.259017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.259017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.259017 (E_RNA) where: Base-Base interactions energy: -1476.006 where: short stacking energy: -632.530 Base-Backbone interact. energy: -0.102 local terms energy: -698.151132 where: bonds (distance) C4'-P energy: -121.084 bonds (distance) P-C4' energy: -143.552 flat angles C4'-P-C4' energy: -162.090 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -178.914 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: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2152.276018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.276018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.276018 (E_RNA) where: Base-Base interactions energy: -1477.965 where: short stacking energy: -619.568 Base-Backbone interact. energy: -2.771 local terms energy: -671.540588 where: bonds (distance) C4'-P energy: -135.822 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -152.287 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -163.563 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: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1808.361668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.361668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.361668 (E_RNA) where: Base-Base interactions energy: -1211.464 where: short stacking energy: -520.309 Base-Backbone interact. energy: -3.442 local terms energy: -593.456131 where: bonds (distance) C4'-P energy: -106.517 bonds (distance) P-C4' energy: -132.072 flat angles C4'-P-C4' energy: -134.748 flat angles P-C4'-P energy: -81.005 tors. eta vs tors. theta energy: -139.113 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: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1532.362610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.362610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.362610 (E_RNA) where: Base-Base interactions energy: -968.919 where: short stacking energy: -420.725 Base-Backbone interact. energy: -0.231 local terms energy: -563.212429 where: bonds (distance) C4'-P energy: -115.239 bonds (distance) P-C4' energy: -124.507 flat angles C4'-P-C4' energy: -130.797 flat angles P-C4'-P energy: -100.274 tors. eta vs tors. theta energy: -92.396 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: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1334.702180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.702180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.702180 (E_RNA) where: Base-Base interactions energy: -833.293 where: short stacking energy: -381.447 Base-Backbone interact. energy: 1.221 local terms energy: -502.629554 where: bonds (distance) C4'-P energy: -114.111 bonds (distance) P-C4' energy: -125.702 flat angles C4'-P-C4' energy: -123.802 flat angles P-C4'-P energy: -56.642 tors. eta vs tors. theta energy: -82.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -961.041504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.041504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.041504 (E_RNA) where: Base-Base interactions energy: -562.360 where: short stacking energy: -262.735 Base-Backbone interact. energy: 0.313 local terms energy: -398.994115 where: bonds (distance) C4'-P energy: -117.165 bonds (distance) P-C4' energy: -127.548 flat angles C4'-P-C4' energy: -103.227 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: 3.038 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: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2787.703159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.703159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.703159 (E_RNA) where: Base-Base interactions energy: -1965.824 where: short stacking energy: -809.594 Base-Backbone interact. energy: -1.474 local terms energy: -820.404706 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -140.497 flat angles C4'-P-C4' energy: -176.580 flat angles P-C4'-P energy: -114.091 tors. eta vs tors. theta energy: -245.725 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: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2623.089404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.089404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.089404 (E_RNA) where: Base-Base interactions energy: -1875.342 where: short stacking energy: -787.631 Base-Backbone interact. energy: 0.215 local terms energy: -747.962538 where: bonds (distance) C4'-P energy: -129.912 bonds (distance) P-C4' energy: -138.661 flat angles C4'-P-C4' energy: -163.585 flat angles P-C4'-P energy: -99.669 tors. eta vs tors. theta energy: -216.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2541.988479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.988479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.988479 (E_RNA) where: Base-Base interactions energy: -1795.674 where: short stacking energy: -757.267 Base-Backbone interact. energy: 0.080 local terms energy: -746.394239 where: bonds (distance) C4'-P energy: -112.440 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -162.549 flat angles P-C4'-P energy: -112.568 tors. eta vs tors. theta energy: -205.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2391.207563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.207563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.207563 (E_RNA) where: Base-Base interactions energy: -1677.095 where: short stacking energy: -711.269 Base-Backbone interact. energy: -2.631 local terms energy: -711.481244 where: bonds (distance) C4'-P energy: -115.070 bonds (distance) P-C4' energy: -136.272 flat angles C4'-P-C4' energy: -153.670 flat angles P-C4'-P energy: -94.529 tors. eta vs tors. theta energy: -211.939 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: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2130.265121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.265121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.265121 (E_RNA) where: Base-Base interactions energy: -1422.434 where: short stacking energy: -603.144 Base-Backbone interact. energy: -2.989 local terms energy: -704.842121 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -144.042 flat angles C4'-P-C4' energy: -167.254 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -170.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2105.224857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.224857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.224857 (E_RNA) where: Base-Base interactions energy: -1420.032 where: short stacking energy: -615.629 Base-Backbone interact. energy: 0.780 local terms energy: -685.972273 where: bonds (distance) C4'-P energy: -122.680 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -147.479 flat angles P-C4'-P energy: -101.614 tors. eta vs tors. theta energy: -179.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1782.143798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.143798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.143798 (E_RNA) where: Base-Base interactions energy: -1203.513 where: short stacking energy: -497.339 Base-Backbone interact. energy: -3.372 local terms energy: -575.258977 where: bonds (distance) C4'-P energy: -114.199 bonds (distance) P-C4' energy: -137.847 flat angles C4'-P-C4' energy: -138.803 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -103.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1585.216781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.216781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.216781 (E_RNA) where: Base-Base interactions energy: -1032.989 where: short stacking energy: -455.077 Base-Backbone interact. energy: -1.288 local terms energy: -550.939836 where: bonds (distance) C4'-P energy: -119.596 bonds (distance) P-C4' energy: -111.946 flat angles C4'-P-C4' energy: -127.671 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -105.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1301.415622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.415622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.415622 (E_RNA) where: Base-Base interactions energy: -820.502 where: short stacking energy: -382.729 Base-Backbone interact. energy: 3.403 local terms energy: -484.317154 where: bonds (distance) C4'-P energy: -119.148 bonds (distance) P-C4' energy: -102.298 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -63.959 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: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1001.915264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.915264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.915264 (E_RNA) where: Base-Base interactions energy: -561.135 where: short stacking energy: -286.176 Base-Backbone interact. energy: 0.661 local terms energy: -441.441278 where: bonds (distance) C4'-P energy: -118.275 bonds (distance) P-C4' energy: -117.551 flat angles C4'-P-C4' energy: -103.646 flat angles P-C4'-P energy: -79.955 tors. eta vs tors. theta energy: -22.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2815.049503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.049503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.049503 (E_RNA) where: Base-Base interactions energy: -1980.975 where: short stacking energy: -815.774 Base-Backbone interact. energy: -0.860 local terms energy: -833.214373 where: bonds (distance) C4'-P energy: -156.140 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -173.193 flat angles P-C4'-P energy: -111.218 tors. eta vs tors. theta energy: -241.541 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: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2644.535174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.535174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.535174 (E_RNA) where: Base-Base interactions energy: -1849.379 where: short stacking energy: -753.222 Base-Backbone interact. energy: -4.168 local terms energy: -790.988589 where: bonds (distance) C4'-P energy: -139.001 bonds (distance) P-C4' energy: -145.990 flat angles C4'-P-C4' energy: -171.869 flat angles P-C4'-P energy: -114.425 tors. eta vs tors. theta energy: -219.704 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: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2491.187705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.187705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.187705 (E_RNA) where: Base-Base interactions energy: -1750.827 where: short stacking energy: -728.714 Base-Backbone interact. energy: -2.331 local terms energy: -738.029629 where: bonds (distance) C4'-P energy: -134.647 bonds (distance) P-C4' energy: -134.446 flat angles C4'-P-C4' energy: -152.098 flat angles P-C4'-P energy: -108.231 tors. eta vs tors. theta energy: -208.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2442.552835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.552835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.552835 (E_RNA) where: Base-Base interactions energy: -1734.355 where: short stacking energy: -693.683 Base-Backbone interact. energy: -1.192 local terms energy: -707.006001 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -149.523 flat angles C4'-P-C4' energy: -146.563 flat angles P-C4'-P energy: -88.307 tors. eta vs tors. theta energy: -187.876 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: 432 Temperature: 1.100000 Total energy: -2182.191314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.191314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.191314 (E_RNA) where: Base-Base interactions energy: -1490.770 where: short stacking energy: -616.314 Base-Backbone interact. energy: -4.782 local terms energy: -686.638855 where: bonds (distance) C4'-P energy: -130.371 bonds (distance) P-C4' energy: -138.855 flat angles C4'-P-C4' energy: -145.033 flat angles P-C4'-P energy: -108.345 tors. eta vs tors. theta energy: -164.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2076.781644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.781644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.781644 (E_RNA) where: Base-Base interactions energy: -1409.595 where: short stacking energy: -583.369 Base-Backbone interact. energy: -2.892 local terms energy: -664.294937 where: bonds (distance) C4'-P energy: -123.409 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -153.157 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -164.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1788.367345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.367345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.367345 (E_RNA) where: Base-Base interactions energy: -1200.592 where: short stacking energy: -501.293 Base-Backbone interact. energy: -1.104 local terms energy: -586.671636 where: bonds (distance) C4'-P energy: -131.249 bonds (distance) P-C4' energy: -117.674 flat angles C4'-P-C4' energy: -125.259 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -136.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1638.784924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.784924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.784924 (E_RNA) where: Base-Base interactions energy: -1031.894 where: short stacking energy: -478.862 Base-Backbone interact. energy: -0.253 local terms energy: -606.637302 where: bonds (distance) C4'-P energy: -113.533 bonds (distance) P-C4' energy: -135.267 flat angles C4'-P-C4' energy: -137.528 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -123.727 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: 432 Temperature: 1.300000 Total energy: -1294.399064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.399064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.399064 (E_RNA) where: Base-Base interactions energy: -786.768 where: short stacking energy: -368.041 Base-Backbone interact. energy: 1.898 local terms energy: -509.529441 where: bonds (distance) C4'-P energy: -118.785 bonds (distance) P-C4' energy: -126.672 flat angles C4'-P-C4' energy: -128.276 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -59.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -942.945866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.945866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.945866 (E_RNA) where: Base-Base interactions energy: -533.308 where: short stacking energy: -267.795 Base-Backbone interact. energy: 4.799 local terms energy: -414.436891 where: bonds (distance) C4'-P energy: -117.143 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -61.633 tors. eta vs tors. theta energy: -11.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2787.476142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.476142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.476142 (E_RNA) where: Base-Base interactions energy: -1972.648 where: short stacking energy: -806.092 Base-Backbone interact. energy: 1.839 local terms energy: -816.666603 where: bonds (distance) C4'-P energy: -154.160 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -166.118 flat angles P-C4'-P energy: -116.617 tors. eta vs tors. theta energy: -241.449 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2622.854430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.854430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.854430 (E_RNA) where: Base-Base interactions energy: -1841.074 where: short stacking energy: -744.839 Base-Backbone interact. energy: -5.514 local terms energy: -776.265827 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -153.985 flat angles C4'-P-C4' energy: -167.836 flat angles P-C4'-P energy: -95.906 tors. eta vs tors. theta energy: -216.668 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: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2454.710499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.710499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.710499 (E_RNA) where: Base-Base interactions energy: -1691.820 where: short stacking energy: -719.886 Base-Backbone interact. energy: -1.238 local terms energy: -761.652442 where: bonds (distance) C4'-P energy: -136.018 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -170.578 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -205.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2476.955486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.955486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.955486 (E_RNA) where: Base-Base interactions energy: -1733.343 where: short stacking energy: -701.362 Base-Backbone interact. energy: -3.457 local terms energy: -740.155178 where: bonds (distance) C4'-P energy: -136.088 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -166.055 flat angles P-C4'-P energy: -106.338 tors. eta vs tors. theta energy: -197.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2160.217415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.217415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.217415 (E_RNA) where: Base-Base interactions energy: -1483.422 where: short stacking energy: -617.358 Base-Backbone interact. energy: -0.380 local terms energy: -676.415324 where: bonds (distance) C4'-P energy: -142.098 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -155.881 flat angles P-C4'-P energy: -86.306 tors. eta vs tors. theta energy: -154.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2120.992270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.992270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.992270 (E_RNA) where: Base-Base interactions energy: -1477.754 where: short stacking energy: -615.750 Base-Backbone interact. energy: -1.198 local terms energy: -642.040181 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -130.001 flat angles C4'-P-C4' energy: -141.885 flat angles P-C4'-P energy: -88.288 tors. eta vs tors. theta energy: -164.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1794.305100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.305100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.305100 (E_RNA) where: Base-Base interactions energy: -1193.734 where: short stacking energy: -540.005 Base-Backbone interact. energy: -2.074 local terms energy: -598.496891 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -133.332 flat angles C4'-P-C4' energy: -140.009 flat angles P-C4'-P energy: -82.524 tors. eta vs tors. theta energy: -137.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1579.487599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.487599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.487599 (E_RNA) where: Base-Base interactions energy: -1001.284 where: short stacking energy: -458.345 Base-Backbone interact. energy: -1.771 local terms energy: -576.432506 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -117.131 flat angles C4'-P-C4' energy: -137.737 flat angles P-C4'-P energy: -73.361 tors. eta vs tors. theta energy: -106.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1239.104294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.104294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.104294 (E_RNA) where: Base-Base interactions energy: -789.002 where: short stacking energy: -355.591 Base-Backbone interact. energy: 2.753 local terms energy: -452.855101 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -135.462 flat angles C4'-P-C4' energy: -103.703 flat angles P-C4'-P energy: -65.712 tors. eta vs tors. theta energy: -47.878 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: 433 Temperature: 1.350000 Total energy: -987.349846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.349846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.349846 (E_RNA) where: Base-Base interactions energy: -547.316 where: short stacking energy: -283.167 Base-Backbone interact. energy: 0.752 local terms energy: -440.786561 where: bonds (distance) C4'-P energy: -115.132 bonds (distance) P-C4' energy: -135.000 flat angles C4'-P-C4' energy: -94.858 flat angles P-C4'-P energy: -76.311 tors. eta vs tors. theta energy: -19.486 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: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2782.727143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.727143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.727143 (E_RNA) where: Base-Base interactions energy: -1943.899 where: short stacking energy: -814.289 Base-Backbone interact. energy: -4.686 local terms energy: -834.141980 where: bonds (distance) C4'-P energy: -141.393 bonds (distance) P-C4' energy: -143.319 flat angles C4'-P-C4' energy: -180.755 flat angles P-C4'-P energy: -124.719 tors. eta vs tors. theta energy: -243.956 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: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2626.343999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.343999 (E_RNA) where: Base-Base interactions energy: -1841.703 where: short stacking energy: -745.239 Base-Backbone interact. energy: -0.276 local terms energy: -784.364857 where: bonds (distance) C4'-P energy: -142.286 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -172.311 flat angles P-C4'-P energy: -110.808 tors. eta vs tors. theta energy: -233.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2495.866614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.866614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.866614 (E_RNA) where: Base-Base interactions energy: -1733.368 where: short stacking energy: -724.052 Base-Backbone interact. energy: -3.784 local terms energy: -758.714546 where: bonds (distance) C4'-P energy: -130.663 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -166.017 flat angles P-C4'-P energy: -109.833 tors. eta vs tors. theta energy: -210.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2385.885553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.885553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.885553 (E_RNA) where: Base-Base interactions energy: -1651.205 where: short stacking energy: -681.086 Base-Backbone interact. energy: -1.399 local terms energy: -733.280782 where: bonds (distance) C4'-P energy: -122.978 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -146.676 flat angles P-C4'-P energy: -104.332 tors. eta vs tors. theta energy: -210.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2155.093217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.093217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.093217 (E_RNA) where: Base-Base interactions energy: -1481.983 where: short stacking energy: -636.591 Base-Backbone interact. energy: 2.027 local terms energy: -675.137689 where: bonds (distance) C4'-P energy: -126.993 bonds (distance) P-C4' energy: -128.475 flat angles C4'-P-C4' energy: -150.316 flat angles P-C4'-P energy: -96.767 tors. eta vs tors. theta energy: -172.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2026.970903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.970903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.970903 (E_RNA) where: Base-Base interactions energy: -1374.507 where: short stacking energy: -577.301 Base-Backbone interact. energy: -0.588 local terms energy: -651.876353 where: bonds (distance) C4'-P energy: -131.318 bonds (distance) P-C4' energy: -122.386 flat angles C4'-P-C4' energy: -132.022 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -165.783 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: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1767.988253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.988253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.988253 (E_RNA) where: Base-Base interactions energy: -1156.268 where: short stacking energy: -508.390 Base-Backbone interact. energy: -2.725 local terms energy: -608.995894 where: bonds (distance) C4'-P energy: -127.427 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -122.829 flat angles P-C4'-P energy: -96.738 tors. eta vs tors. theta energy: -126.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1547.854551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.854551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.854551 (E_RNA) where: Base-Base interactions energy: -1011.750 where: short stacking energy: -431.520 Base-Backbone interact. energy: -2.933 local terms energy: -533.171984 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -129.602 flat angles C4'-P-C4' energy: -117.328 flat angles P-C4'-P energy: -84.044 tors. eta vs tors. theta energy: -95.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1286.336141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.336141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.336141 (E_RNA) where: Base-Base interactions energy: -769.456 where: short stacking energy: -366.309 Base-Backbone interact. energy: -4.360 local terms energy: -512.520246 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -117.426 flat angles C4'-P-C4' energy: -120.449 flat angles P-C4'-P energy: -84.932 tors. eta vs tors. theta energy: -70.755 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: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -963.977117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.977117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.977117 (E_RNA) where: Base-Base interactions energy: -528.531 where: short stacking energy: -278.216 Base-Backbone interact. energy: -0.940 local terms energy: -434.506067 where: bonds (distance) C4'-P energy: -115.173 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -21.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2755.612061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.612061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.612061 (E_RNA) where: Base-Base interactions energy: -1929.415 where: short stacking energy: -841.605 Base-Backbone interact. energy: -3.746 local terms energy: -822.451377 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -176.158 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -246.527 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: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2593.872405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.872405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.872405 (E_RNA) where: Base-Base interactions energy: -1854.619 where: short stacking energy: -739.770 Base-Backbone interact. energy: -5.339 local terms energy: -733.913963 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -142.249 flat angles C4'-P-C4' energy: -167.007 flat angles P-C4'-P energy: -80.305 tors. eta vs tors. theta energy: -207.447 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: 435 Temperature: 1.000000 Total energy: -2498.817518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.817518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.817518 (E_RNA) where: Base-Base interactions energy: -1756.935 where: short stacking energy: -718.317 Base-Backbone interact. energy: -1.822 local terms energy: -740.061113 where: bonds (distance) C4'-P energy: -139.243 bonds (distance) P-C4' energy: -146.383 flat angles C4'-P-C4' energy: -163.860 flat angles P-C4'-P energy: -98.529 tors. eta vs tors. theta energy: -192.046 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: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2377.357407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.357407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.357407 (E_RNA) where: Base-Base interactions energy: -1646.369 where: short stacking energy: -694.317 Base-Backbone interact. energy: -4.556 local terms energy: -726.431905 where: bonds (distance) C4'-P energy: -137.892 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -161.699 flat angles P-C4'-P energy: -89.785 tors. eta vs tors. theta energy: -207.650 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: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2167.760682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.760682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.760682 (E_RNA) where: Base-Base interactions energy: -1477.806 where: short stacking energy: -654.664 Base-Backbone interact. energy: 0.920 local terms energy: -690.874333 where: bonds (distance) C4'-P energy: -128.248 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -149.285 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -171.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2055.954301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.954301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.954301 (E_RNA) where: Base-Base interactions energy: -1431.123 where: short stacking energy: -623.864 Base-Backbone interact. energy: 2.171 local terms energy: -627.002914 where: bonds (distance) C4'-P energy: -103.247 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -140.259 flat angles P-C4'-P energy: -95.210 tors. eta vs tors. theta energy: -166.430 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1780.366353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.366353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.366353 (E_RNA) where: Base-Base interactions energy: -1166.788 where: short stacking energy: -531.057 Base-Backbone interact. energy: 0.117 local terms energy: -613.695871 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -129.392 flat angles C4'-P-C4' energy: -153.186 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -120.367 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: 435 Temperature: 1.250000 Total energy: -1604.310377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.310377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.310377 (E_RNA) where: Base-Base interactions energy: -1035.178 where: short stacking energy: -473.819 Base-Backbone interact. energy: -0.351 local terms energy: -568.781317 where: bonds (distance) C4'-P energy: -107.523 bonds (distance) P-C4' energy: -131.652 flat angles C4'-P-C4' energy: -134.645 flat angles P-C4'-P energy: -83.815 tors. eta vs tors. theta energy: -111.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1297.738629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.738629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.738629 (E_RNA) where: Base-Base interactions energy: -798.539 where: short stacking energy: -368.150 Base-Backbone interact. energy: -2.323 local terms energy: -496.876374 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -129.404 flat angles C4'-P-C4' energy: -113.338 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -53.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -898.998407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.998407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.998407 (E_RNA) where: Base-Base interactions energy: -486.412 where: short stacking energy: -247.096 Base-Backbone interact. energy: -0.619 local terms energy: -411.967187 where: bonds (distance) C4'-P energy: -114.786 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -101.427 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -13.688 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: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2776.044062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.044062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.044062 (E_RNA) where: Base-Base interactions energy: -1939.916 where: short stacking energy: -823.379 Base-Backbone interact. energy: -6.790 local terms energy: -829.337237 where: bonds (distance) C4'-P energy: -139.220 bonds (distance) P-C4' energy: -144.016 flat angles C4'-P-C4' energy: -182.622 flat angles P-C4'-P energy: -124.238 tors. eta vs tors. theta energy: -239.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2624.835711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.835711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.835711 (E_RNA) where: Base-Base interactions energy: -1831.788 where: short stacking energy: -761.632 Base-Backbone interact. energy: -0.435 local terms energy: -792.612803 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -138.381 flat angles C4'-P-C4' energy: -176.963 flat angles P-C4'-P energy: -107.516 tors. eta vs tors. theta energy: -222.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2466.341851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.341851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.341851 (E_RNA) where: Base-Base interactions energy: -1709.986 where: short stacking energy: -699.740 Base-Backbone interact. energy: -0.929 local terms energy: -755.427201 where: bonds (distance) C4'-P energy: -136.611 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -167.063 flat angles P-C4'-P energy: -106.400 tors. eta vs tors. theta energy: -194.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2373.099569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.099569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.099569 (E_RNA) where: Base-Base interactions energy: -1655.913 where: short stacking energy: -703.940 Base-Backbone interact. energy: -3.269 local terms energy: -713.917421 where: bonds (distance) C4'-P energy: -120.562 bonds (distance) P-C4' energy: -135.601 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -92.584 tors. eta vs tors. theta energy: -203.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2145.270298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.270298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.270298 (E_RNA) where: Base-Base interactions energy: -1489.616 where: short stacking energy: -635.092 Base-Backbone interact. energy: -4.099 local terms energy: -651.554976 where: bonds (distance) C4'-P energy: -132.529 bonds (distance) P-C4' energy: -119.480 flat angles C4'-P-C4' energy: -149.797 flat angles P-C4'-P energy: -90.976 tors. eta vs tors. theta energy: -158.772 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2099.116377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.116377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.116377 (E_RNA) where: Base-Base interactions energy: -1456.184 where: short stacking energy: -621.310 Base-Backbone interact. energy: -0.768 local terms energy: -642.163423 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -126.963 flat angles C4'-P-C4' energy: -119.640 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -171.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1749.935135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.935135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.935135 (E_RNA) where: Base-Base interactions energy: -1149.242 where: short stacking energy: -515.587 Base-Backbone interact. energy: 4.046 local terms energy: -604.739176 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -123.212 flat angles C4'-P-C4' energy: -150.468 flat angles P-C4'-P energy: -85.021 tors. eta vs tors. theta energy: -121.913 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: 436 Temperature: 1.250000 Total energy: -1553.891154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.891154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.891154 (E_RNA) where: Base-Base interactions energy: -1027.356 where: short stacking energy: -449.416 Base-Backbone interact. energy: -0.770 local terms energy: -525.765960 where: bonds (distance) C4'-P energy: -126.769 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -86.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1182.703655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.703655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.703655 (E_RNA) where: Base-Base interactions energy: -720.827 where: short stacking energy: -336.155 Base-Backbone interact. energy: 1.853 local terms energy: -463.730042 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -119.636 flat angles C4'-P-C4' energy: -106.697 flat angles P-C4'-P energy: -66.729 tors. eta vs tors. theta energy: -43.458 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -913.976019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.976019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.976019 (E_RNA) where: Base-Base interactions energy: -523.250 where: short stacking energy: -284.571 Base-Backbone interact. energy: -2.164 local terms energy: -388.561800 where: bonds (distance) C4'-P energy: -112.657 bonds (distance) P-C4' energy: -99.678 flat angles C4'-P-C4' energy: -103.880 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -11.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2781.522462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.522462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.522462 (E_RNA) where: Base-Base interactions energy: -1936.119 where: short stacking energy: -829.026 Base-Backbone interact. energy: -2.602 local terms energy: -842.801603 where: bonds (distance) C4'-P energy: -150.325 bonds (distance) P-C4' energy: -155.738 flat angles C4'-P-C4' energy: -179.869 flat angles P-C4'-P energy: -104.737 tors. eta vs tors. theta energy: -252.133 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2618.513195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.513195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.513195 (E_RNA) where: Base-Base interactions energy: -1829.908 where: short stacking energy: -744.689 Base-Backbone interact. energy: -1.892 local terms energy: -786.712674 where: bonds (distance) C4'-P energy: -148.458 bonds (distance) P-C4' energy: -140.559 flat angles C4'-P-C4' energy: -169.184 flat angles P-C4'-P energy: -109.603 tors. eta vs tors. theta energy: -218.909 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: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2495.952523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.952523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.952523 (E_RNA) where: Base-Base interactions energy: -1758.424 where: short stacking energy: -736.360 Base-Backbone interact. energy: -2.296 local terms energy: -735.232339 where: bonds (distance) C4'-P energy: -142.623 bonds (distance) P-C4' energy: -133.872 flat angles C4'-P-C4' energy: -162.356 flat angles P-C4'-P energy: -93.241 tors. eta vs tors. theta energy: -203.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2364.085718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.085718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.085718 (E_RNA) where: Base-Base interactions energy: -1626.011 where: short stacking energy: -698.891 Base-Backbone interact. energy: -4.433 local terms energy: -733.641725 where: bonds (distance) C4'-P energy: -122.205 bonds (distance) P-C4' energy: -139.732 flat angles C4'-P-C4' energy: -156.854 flat angles P-C4'-P energy: -111.146 tors. eta vs tors. theta energy: -203.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2131.863286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.863286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.863286 (E_RNA) where: Base-Base interactions energy: -1473.903 where: short stacking energy: -650.645 Base-Backbone interact. energy: -1.087 local terms energy: -656.872739 where: bonds (distance) C4'-P energy: -113.509 bonds (distance) P-C4' energy: -132.804 flat angles C4'-P-C4' energy: -144.437 flat angles P-C4'-P energy: -104.761 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: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2083.945535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.945535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.945535 (E_RNA) where: Base-Base interactions energy: -1446.551 where: short stacking energy: -601.393 Base-Backbone interact. energy: -1.818 local terms energy: -635.576052 where: bonds (distance) C4'-P energy: -124.327 bonds (distance) P-C4' energy: -119.554 flat angles C4'-P-C4' energy: -147.600 flat angles P-C4'-P energy: -85.579 tors. eta vs tors. theta energy: -158.516 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1769.667305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.667305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.667305 (E_RNA) where: Base-Base interactions energy: -1184.955 where: short stacking energy: -544.535 Base-Backbone interact. energy: -1.252 local terms energy: -583.460971 where: bonds (distance) C4'-P energy: -113.696 bonds (distance) P-C4' energy: -122.151 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -133.590 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1552.897157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.897157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.897157 (E_RNA) where: Base-Base interactions energy: -997.193 where: short stacking energy: -459.744 Base-Backbone interact. energy: 1.412 local terms energy: -557.115261 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -117.580 flat angles C4'-P-C4' energy: -121.921 flat angles P-C4'-P energy: -79.462 tors. eta vs tors. theta energy: -116.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1189.972562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.972562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.972562 (E_RNA) where: Base-Base interactions energy: -724.418 where: short stacking energy: -340.901 Base-Backbone interact. energy: 3.442 local terms energy: -468.996641 where: bonds (distance) C4'-P energy: -141.826 bonds (distance) P-C4' energy: -109.107 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -43.172 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: 437 Temperature: 1.350000 Total energy: -937.765203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.765203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.765203 (E_RNA) where: Base-Base interactions energy: -515.739 where: short stacking energy: -239.136 Base-Backbone interact. energy: 0.417 local terms energy: -422.443256 where: bonds (distance) C4'-P energy: -121.724 bonds (distance) P-C4' energy: -131.580 flat angles C4'-P-C4' energy: -105.291 flat angles P-C4'-P energy: -56.553 tors. eta vs tors. theta energy: -7.294 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: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2811.145868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.145868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.145868 (E_RNA) where: Base-Base interactions energy: -1956.596 where: short stacking energy: -839.690 Base-Backbone interact. energy: -3.708 local terms energy: -850.841253 where: bonds (distance) C4'-P energy: -136.739 bonds (distance) P-C4' energy: -162.022 flat angles C4'-P-C4' energy: -179.777 flat angles P-C4'-P energy: -122.442 tors. eta vs tors. theta energy: -249.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2625.623425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.623425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.623425 (E_RNA) where: Base-Base interactions energy: -1878.267 where: short stacking energy: -780.825 Base-Backbone interact. energy: -1.022 local terms energy: -746.334027 where: bonds (distance) C4'-P energy: -132.741 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -153.819 flat angles P-C4'-P energy: -108.247 tors. eta vs tors. theta energy: -224.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2481.652899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.652899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.652899 (E_RNA) where: Base-Base interactions energy: -1736.899 where: short stacking energy: -707.042 Base-Backbone interact. energy: 0.472 local terms energy: -745.226095 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -142.368 flat angles C4'-P-C4' energy: -167.383 flat angles P-C4'-P energy: -101.507 tors. eta vs tors. theta energy: -195.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2356.053000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.053000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.053000 (E_RNA) where: Base-Base interactions energy: -1649.254 where: short stacking energy: -708.466 Base-Backbone interact. energy: 0.007 local terms energy: -706.806635 where: bonds (distance) C4'-P energy: -126.323 bonds (distance) P-C4' energy: -136.876 flat angles C4'-P-C4' energy: -153.629 flat angles P-C4'-P energy: -85.680 tors. eta vs tors. theta energy: -204.299 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: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2166.501152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.501152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.501152 (E_RNA) where: Base-Base interactions energy: -1483.596 where: short stacking energy: -621.289 Base-Backbone interact. energy: 0.367 local terms energy: -683.271461 where: bonds (distance) C4'-P energy: -126.708 bonds (distance) P-C4' energy: -136.816 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -167.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2063.719405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.719405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.719405 (E_RNA) where: Base-Base interactions energy: -1398.478 where: short stacking energy: -613.361 Base-Backbone interact. energy: -1.376 local terms energy: -663.865204 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -139.214 flat angles C4'-P-C4' energy: -134.082 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -147.661 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: 438 Temperature: 1.200000 Total energy: -1757.823205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.823205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.823205 (E_RNA) where: Base-Base interactions energy: -1138.095 where: short stacking energy: -516.672 Base-Backbone interact. energy: -2.478 local terms energy: -617.250219 where: bonds (distance) C4'-P energy: -135.916 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -74.370 tors. eta vs tors. theta energy: -133.450 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: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1470.346194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.346194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.346194 (E_RNA) where: Base-Base interactions energy: -970.480 where: short stacking energy: -455.675 Base-Backbone interact. energy: 2.102 local terms energy: -501.968211 where: bonds (distance) C4'-P energy: -113.558 bonds (distance) P-C4' energy: -109.603 flat angles C4'-P-C4' energy: -122.673 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -77.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1114.153556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.153556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.153556 (E_RNA) where: Base-Base interactions energy: -662.889 where: short stacking energy: -341.219 Base-Backbone interact. energy: 0.255 local terms energy: -451.519838 where: bonds (distance) C4'-P energy: -125.168 bonds (distance) P-C4' energy: -131.658 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -37.988 tors. eta vs tors. theta energy: -44.746 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: 438 Temperature: 1.350000 Total energy: -1002.453789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.453789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.453789 (E_RNA) where: Base-Base interactions energy: -566.134 where: short stacking energy: -264.151 Base-Backbone interact. energy: -3.420 local terms energy: -432.900003 where: bonds (distance) C4'-P energy: -107.368 bonds (distance) P-C4' energy: -128.767 flat angles C4'-P-C4' energy: -120.096 flat angles P-C4'-P energy: -66.401 tors. eta vs tors. theta energy: -10.269 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: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2795.382406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.382406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.382406 (E_RNA) where: Base-Base interactions energy: -1964.455 where: short stacking energy: -853.232 Base-Backbone interact. energy: 2.718 local terms energy: -833.645565 where: bonds (distance) C4'-P energy: -140.766 bonds (distance) P-C4' energy: -155.133 flat angles C4'-P-C4' energy: -177.081 flat angles P-C4'-P energy: -112.805 tors. eta vs tors. theta energy: -247.861 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: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2646.640792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.640792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.640792 (E_RNA) where: Base-Base interactions energy: -1881.191 where: short stacking energy: -753.706 Base-Backbone interact. energy: -0.465 local terms energy: -764.985057 where: bonds (distance) C4'-P energy: -152.999 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -152.597 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -215.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2517.091684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.091684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.091684 (E_RNA) where: Base-Base interactions energy: -1757.850 where: short stacking energy: -744.648 Base-Backbone interact. energy: 0.102 local terms energy: -759.344447 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -148.393 flat angles C4'-P-C4' energy: -169.736 flat angles P-C4'-P energy: -103.528 tors. eta vs tors. theta energy: -209.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2386.035264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.035264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.035264 (E_RNA) where: Base-Base interactions energy: -1645.812 where: short stacking energy: -701.657 Base-Backbone interact. energy: 0.777 local terms energy: -741.000314 where: bonds (distance) C4'-P energy: -133.748 bonds (distance) P-C4' energy: -140.924 flat angles C4'-P-C4' energy: -166.694 flat angles P-C4'-P energy: -98.330 tors. eta vs tors. theta energy: -201.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2134.439669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.439669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.439669 (E_RNA) where: Base-Base interactions energy: -1454.988 where: short stacking energy: -632.049 Base-Backbone interact. energy: -3.583 local terms energy: -675.867791 where: bonds (distance) C4'-P energy: -124.782 bonds (distance) P-C4' energy: -123.091 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -95.462 tors. eta vs tors. theta energy: -176.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2042.903181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.903181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.903181 (E_RNA) where: Base-Base interactions energy: -1394.553 where: short stacking energy: -594.782 Base-Backbone interact. energy: 0.263 local terms energy: -648.613418 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -122.798 flat angles C4'-P-C4' energy: -149.237 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -157.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1806.895160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.895160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.895160 (E_RNA) where: Base-Base interactions energy: -1195.234 where: short stacking energy: -546.937 Base-Backbone interact. energy: -2.274 local terms energy: -609.387781 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -147.041 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -97.392 tors. eta vs tors. theta energy: -141.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1528.658881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.658881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.658881 (E_RNA) where: Base-Base interactions energy: -973.960 where: short stacking energy: -420.169 Base-Backbone interact. energy: -1.505 local terms energy: -553.193951 where: bonds (distance) C4'-P energy: -114.626 bonds (distance) P-C4' energy: -121.988 flat angles C4'-P-C4' energy: -137.038 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -94.186 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: 9, replica: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1089.285167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.285167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.285167 (E_RNA) where: Base-Base interactions energy: -638.136 where: short stacking energy: -312.562 Base-Backbone interact. energy: -1.569 local terms energy: -449.580711 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -117.317 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -96.845 tors. eta vs tors. theta energy: -33.239 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: 439 Temperature: 1.350000 Total energy: -1038.497891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.497891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.497891 (E_RNA) where: Base-Base interactions energy: -617.190 where: short stacking energy: -272.773 Base-Backbone interact. energy: 1.200 local terms energy: -422.507780 where: bonds (distance) C4'-P energy: -123.508 bonds (distance) P-C4' energy: -141.793 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -11.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2814.434646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.434646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.434646 (E_RNA) where: Base-Base interactions energy: -1982.705 where: short stacking energy: -831.602 Base-Backbone interact. energy: 0.023 local terms energy: -831.752772 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -173.108 flat angles P-C4'-P energy: -120.294 tors. eta vs tors. theta energy: -249.267 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: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2616.005332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.005332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.005332 (E_RNA) where: Base-Base interactions energy: -1842.325 where: short stacking energy: -763.400 Base-Backbone interact. energy: -2.634 local terms energy: -771.046875 where: bonds (distance) C4'-P energy: -146.704 bonds (distance) P-C4' energy: -131.688 flat angles C4'-P-C4' energy: -165.414 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -217.127 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: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2491.299032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.299032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.299032 (E_RNA) where: Base-Base interactions energy: -1738.086 where: short stacking energy: -726.932 Base-Backbone interact. energy: -2.129 local terms energy: -751.084053 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -144.863 flat angles C4'-P-C4' energy: -169.240 flat angles P-C4'-P energy: -112.747 tors. eta vs tors. theta energy: -207.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2379.107336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.107336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.107336 (E_RNA) where: Base-Base interactions energy: -1650.913 where: short stacking energy: -658.175 Base-Backbone interact. energy: -3.549 local terms energy: -724.645753 where: bonds (distance) C4'-P energy: -137.055 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -160.911 flat angles P-C4'-P energy: -117.987 tors. eta vs tors. theta energy: -186.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2214.668802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.668802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.668802 (E_RNA) where: Base-Base interactions energy: -1508.298 where: short stacking energy: -626.167 Base-Backbone interact. energy: -1.013 local terms energy: -705.358300 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -119.125 flat angles C4'-P-C4' energy: -158.488 flat angles P-C4'-P energy: -100.007 tors. eta vs tors. theta energy: -181.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2070.547776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.547776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.547776 (E_RNA) where: Base-Base interactions energy: -1434.545 where: short stacking energy: -591.748 Base-Backbone interact. energy: 1.223 local terms energy: -637.226235 where: bonds (distance) C4'-P energy: -118.869 bonds (distance) P-C4' energy: -123.488 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -97.888 tors. eta vs tors. theta energy: -140.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1694.293003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.293003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.293003 (E_RNA) where: Base-Base interactions energy: -1086.814 where: short stacking energy: -478.847 Base-Backbone interact. energy: -1.920 local terms energy: -605.558718 where: bonds (distance) C4'-P energy: -116.626 bonds (distance) P-C4' energy: -136.616 flat angles C4'-P-C4' energy: -137.679 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -131.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1529.244524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.244524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.244524 (E_RNA) where: Base-Base interactions energy: -1007.220 where: short stacking energy: -418.492 Base-Backbone interact. energy: -5.335 local terms energy: -516.689889 where: bonds (distance) C4'-P energy: -98.737 bonds (distance) P-C4' energy: -119.418 flat angles C4'-P-C4' energy: -136.751 flat angles P-C4'-P energy: -72.637 tors. eta vs tors. theta energy: -89.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1067.490252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.490252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.490252 (E_RNA) where: Base-Base interactions energy: -639.326 where: short stacking energy: -321.754 Base-Backbone interact. energy: 0.847 local terms energy: -429.010674 where: bonds (distance) C4'-P energy: -94.586 bonds (distance) P-C4' energy: -110.785 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: -37.371 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: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1005.556041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.556041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.556041 (E_RNA) where: Base-Base interactions energy: -596.431 where: short stacking energy: -283.525 Base-Backbone interact. energy: 1.526 local terms energy: -410.651157 where: bonds (distance) C4'-P energy: -99.547 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -102.699 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -27.100 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: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2777.056349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.056349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.056349 (E_RNA) where: Base-Base interactions energy: -1953.054 where: short stacking energy: -822.307 Base-Backbone interact. energy: -1.649 local terms energy: -822.353912 where: bonds (distance) C4'-P energy: -146.820 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -180.063 flat angles P-C4'-P energy: -113.771 tors. eta vs tors. theta energy: -239.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2658.044515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.044515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.044515 (E_RNA) where: Base-Base interactions energy: -1856.782 where: short stacking energy: -773.612 Base-Backbone interact. energy: 1.613 local terms energy: -802.875531 where: bonds (distance) C4'-P energy: -143.545 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -181.392 flat angles P-C4'-P energy: -109.421 tors. eta vs tors. theta energy: -222.846 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: 441 Temperature: 1.000000 Total energy: -2517.210065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.210065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.210065 (E_RNA) where: Base-Base interactions energy: -1772.443 where: short stacking energy: -709.089 Base-Backbone interact. energy: -3.873 local terms energy: -740.894322 where: bonds (distance) C4'-P energy: -132.370 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -162.455 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: -201.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2378.781008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.781008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.781008 (E_RNA) where: Base-Base interactions energy: -1675.296 where: short stacking energy: -723.383 Base-Backbone interact. energy: -0.401 local terms energy: -703.083792 where: bonds (distance) C4'-P energy: -130.698 bonds (distance) P-C4' energy: -136.054 flat angles C4'-P-C4' energy: -152.364 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -197.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2184.150143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.150143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.150143 (E_RNA) where: Base-Base interactions energy: -1481.340 where: short stacking energy: -624.232 Base-Backbone interact. energy: -3.323 local terms energy: -699.487882 where: bonds (distance) C4'-P energy: -129.405 bonds (distance) P-C4' energy: -142.510 flat angles C4'-P-C4' energy: -159.875 flat angles P-C4'-P energy: -100.700 tors. eta vs tors. theta energy: -166.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2083.811629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.811629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.811629 (E_RNA) where: Base-Base interactions energy: -1448.814 where: short stacking energy: -603.479 Base-Backbone interact. energy: 2.287 local terms energy: -637.284566 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -112.852 flat angles C4'-P-C4' energy: -157.596 flat angles P-C4'-P energy: -92.492 tors. eta vs tors. theta energy: -156.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1669.290930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.290930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.290930 (E_RNA) where: Base-Base interactions energy: -1057.956 where: short stacking energy: -490.026 Base-Backbone interact. energy: -1.325 local terms energy: -610.010600 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -128.030 flat angles C4'-P-C4' energy: -147.971 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -124.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1603.208556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.208556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.208556 (E_RNA) where: Base-Base interactions energy: -1062.881 where: short stacking energy: -457.441 Base-Backbone interact. energy: -1.940 local terms energy: -538.387131 where: bonds (distance) C4'-P energy: -103.825 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -126.056 flat angles P-C4'-P energy: -78.919 tors. eta vs tors. theta energy: -103.348 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: 441 Temperature: 1.300000 Total energy: -1145.249243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.249243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.249243 (E_RNA) where: Base-Base interactions energy: -671.478 where: short stacking energy: -332.378 Base-Backbone interact. energy: 0.431 local terms energy: -474.202238 where: bonds (distance) C4'-P energy: -131.517 bonds (distance) P-C4' energy: -133.188 flat angles C4'-P-C4' energy: -122.396 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -31.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1031.105207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.105207 (E_RNA) where: Base-Base interactions energy: -589.760 where: short stacking energy: -281.845 Base-Backbone interact. energy: 2.581 local terms energy: -443.925714 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -136.565 flat angles C4'-P-C4' energy: -93.241 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: -30.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2828.593443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.593443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.593443 (E_RNA) where: Base-Base interactions energy: -1968.458 where: short stacking energy: -833.091 Base-Backbone interact. energy: -1.119 local terms energy: -859.015696 where: bonds (distance) C4'-P energy: -150.628 bonds (distance) P-C4' energy: -166.980 flat angles C4'-P-C4' energy: -183.523 flat angles P-C4'-P energy: -115.048 tors. eta vs tors. theta energy: -242.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2633.645394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.645394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.645394 (E_RNA) where: Base-Base interactions energy: -1848.205 where: short stacking energy: -747.467 Base-Backbone interact. energy: -2.451 local terms energy: -782.989492 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -151.556 flat angles C4'-P-C4' energy: -164.738 flat angles P-C4'-P energy: -107.759 tors. eta vs tors. theta energy: -225.967 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: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2500.736903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.736903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.736903 (E_RNA) where: Base-Base interactions energy: -1734.987 where: short stacking energy: -716.754 Base-Backbone interact. energy: -2.914 local terms energy: -762.836033 where: bonds (distance) C4'-P energy: -134.715 bonds (distance) P-C4' energy: -162.447 flat angles C4'-P-C4' energy: -154.947 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -201.538 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: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2347.699226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.699226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.699226 (E_RNA) where: Base-Base interactions energy: -1620.044 where: short stacking energy: -709.259 Base-Backbone interact. energy: -5.000 local terms energy: -722.654840 where: bonds (distance) C4'-P energy: -142.957 bonds (distance) P-C4' energy: -134.220 flat angles C4'-P-C4' energy: -161.311 flat angles P-C4'-P energy: -83.152 tors. eta vs tors. theta energy: -201.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2238.939532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.939532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.939532 (E_RNA) where: Base-Base interactions energy: -1546.456 where: short stacking energy: -639.815 Base-Backbone interact. energy: -1.775 local terms energy: -690.708814 where: bonds (distance) C4'-P energy: -115.194 bonds (distance) P-C4' energy: -129.814 flat angles C4'-P-C4' energy: -154.387 flat angles P-C4'-P energy: -102.753 tors. eta vs tors. theta energy: -188.560 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2146.138826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.138826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.138826 (E_RNA) where: Base-Base interactions energy: -1453.168 where: short stacking energy: -599.248 Base-Backbone interact. energy: -5.385 local terms energy: -687.586029 where: bonds (distance) C4'-P energy: -127.813 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -157.786 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -174.380 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: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1694.574378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.574378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.574378 (E_RNA) where: Base-Base interactions energy: -1111.774 where: short stacking energy: -467.915 Base-Backbone interact. energy: 0.801 local terms energy: -583.601560 where: bonds (distance) C4'-P energy: -124.001 bonds (distance) P-C4' energy: -132.426 flat angles C4'-P-C4' energy: -132.034 flat angles P-C4'-P energy: -85.767 tors. eta vs tors. theta energy: -109.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1558.697345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.697345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.697345 (E_RNA) where: Base-Base interactions energy: -1005.089 where: short stacking energy: -450.691 Base-Backbone interact. energy: 2.890 local terms energy: -556.498132 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -129.938 flat angles C4'-P-C4' energy: -139.837 flat angles P-C4'-P energy: -63.618 tors. eta vs tors. theta energy: -100.875 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: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1175.010447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.010447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.010447 (E_RNA) where: Base-Base interactions energy: -741.081 where: short stacking energy: -349.825 Base-Backbone interact. energy: 3.256 local terms energy: -437.185479 where: bonds (distance) C4'-P energy: -92.610 bonds (distance) P-C4' energy: -118.909 flat angles C4'-P-C4' energy: -110.225 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -35.770 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: 442 Temperature: 1.350000 Total energy: -1069.581009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.581009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.581009 (E_RNA) where: Base-Base interactions energy: -601.478 where: short stacking energy: -313.507 Base-Backbone interact. energy: -3.509 local terms energy: -464.593460 where: bonds (distance) C4'-P energy: -114.686 bonds (distance) P-C4' energy: -118.996 flat angles C4'-P-C4' energy: -107.798 flat angles P-C4'-P energy: -76.945 tors. eta vs tors. theta energy: -46.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2788.179261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.179261 (E_RNA) where: Base-Base interactions energy: -1933.072 where: short stacking energy: -805.151 Base-Backbone interact. energy: -2.633 local terms energy: -852.473811 where: bonds (distance) C4'-P energy: -144.508 bonds (distance) P-C4' energy: -171.382 flat angles C4'-P-C4' energy: -169.955 flat angles P-C4'-P energy: -123.332 tors. eta vs tors. theta energy: -243.297 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: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2625.695910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.695910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.695910 (E_RNA) where: Base-Base interactions energy: -1866.741 where: short stacking energy: -737.294 Base-Backbone interact. energy: 3.867 local terms energy: -762.822562 where: bonds (distance) C4'-P energy: -140.042 bonds (distance) P-C4' energy: -150.597 flat angles C4'-P-C4' energy: -164.979 flat angles P-C4'-P energy: -102.588 tors. eta vs tors. theta energy: -204.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2524.044165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.044165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.044165 (E_RNA) where: Base-Base interactions energy: -1749.316 where: short stacking energy: -714.147 Base-Backbone interact. energy: -3.144 local terms energy: -771.584250 where: bonds (distance) C4'-P energy: -144.953 bonds (distance) P-C4' energy: -141.810 flat angles C4'-P-C4' energy: -162.700 flat angles P-C4'-P energy: -118.130 tors. eta vs tors. theta energy: -203.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2348.574738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.574738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.574738 (E_RNA) where: Base-Base interactions energy: -1629.836 where: short stacking energy: -703.300 Base-Backbone interact. energy: -2.333 local terms energy: -716.405950 where: bonds (distance) C4'-P energy: -117.410 bonds (distance) P-C4' energy: -139.945 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -103.345 tors. eta vs tors. theta energy: -200.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2219.739571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.739571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.739571 (E_RNA) where: Base-Base interactions energy: -1535.035 where: short stacking energy: -637.841 Base-Backbone interact. energy: -1.595 local terms energy: -683.109252 where: bonds (distance) C4'-P energy: -137.656 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -145.699 flat angles P-C4'-P energy: -108.760 tors. eta vs tors. theta energy: -170.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2066.132921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.132921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.132921 (E_RNA) where: Base-Base interactions energy: -1397.083 where: short stacking energy: -601.948 Base-Backbone interact. energy: 0.620 local terms energy: -669.669363 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -147.496 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: -177.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1736.449387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.449387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.449387 (E_RNA) where: Base-Base interactions energy: -1201.259 where: short stacking energy: -507.048 Base-Backbone interact. energy: -1.162 local terms energy: -534.027589 where: bonds (distance) C4'-P energy: -111.221 bonds (distance) P-C4' energy: -104.706 flat angles C4'-P-C4' energy: -139.239 flat angles P-C4'-P energy: -75.495 tors. eta vs tors. theta energy: -103.367 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: 443 Temperature: 1.250000 Total energy: -1545.761177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.761177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.761177 (E_RNA) where: Base-Base interactions energy: -1042.262 where: short stacking energy: -458.930 Base-Backbone interact. energy: -0.528 local terms energy: -502.970429 where: bonds (distance) C4'-P energy: -124.843 bonds (distance) P-C4' energy: -101.154 flat angles C4'-P-C4' energy: -126.243 flat angles P-C4'-P energy: -70.491 tors. eta vs tors. theta energy: -80.240 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: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1181.422620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.422620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.422620 (E_RNA) where: Base-Base interactions energy: -685.030 where: short stacking energy: -333.373 Base-Backbone interact. energy: -0.719 local terms energy: -495.673738 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -132.470 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -89.712 tors. eta vs tors. theta energy: -40.561 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: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1033.088713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.088713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.088713 (E_RNA) where: Base-Base interactions energy: -590.337 where: short stacking energy: -275.564 Base-Backbone interact. energy: -1.499 local terms energy: -441.252313 where: bonds (distance) C4'-P energy: -122.035 bonds (distance) P-C4' energy: -114.389 flat angles C4'-P-C4' energy: -113.377 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -19.516 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: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2806.510833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.510833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.510833 (E_RNA) where: Base-Base interactions energy: -1973.855 where: short stacking energy: -834.400 Base-Backbone interact. energy: -3.076 local terms energy: -829.579702 where: bonds (distance) C4'-P energy: -138.943 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -168.624 flat angles P-C4'-P energy: -111.442 tors. eta vs tors. theta energy: -253.125 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: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2662.590832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.590832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.590832 (E_RNA) where: Base-Base interactions energy: -1891.877 where: short stacking energy: -752.911 Base-Backbone interact. energy: -3.294 local terms energy: -767.419929 where: bonds (distance) C4'-P energy: -138.103 bonds (distance) P-C4' energy: -135.931 flat angles C4'-P-C4' energy: -162.431 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -227.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2507.812980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.812980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.812980 (E_RNA) where: Base-Base interactions energy: -1761.688 where: short stacking energy: -746.899 Base-Backbone interact. energy: -0.514 local terms energy: -745.610189 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -162.046 flat angles P-C4'-P energy: -97.126 tors. eta vs tors. theta energy: -207.810 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: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2383.100069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.100069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.100069 (E_RNA) where: Base-Base interactions energy: -1636.508 where: short stacking energy: -700.102 Base-Backbone interact. energy: -1.884 local terms energy: -744.708433 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -134.556 flat angles C4'-P-C4' energy: -160.229 flat angles P-C4'-P energy: -109.059 tors. eta vs tors. theta energy: -194.609 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: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2235.592820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.592820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.592820 (E_RNA) where: Base-Base interactions energy: -1517.599 where: short stacking energy: -637.242 Base-Backbone interact. energy: -1.142 local terms energy: -716.852035 where: bonds (distance) C4'-P energy: -138.343 bonds (distance) P-C4' energy: -131.523 flat angles C4'-P-C4' energy: -160.926 flat angles P-C4'-P energy: -102.567 tors. eta vs tors. theta energy: -183.493 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: 444 Temperature: 1.150000 Total energy: -2070.418118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.418118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.418118 (E_RNA) where: Base-Base interactions energy: -1409.389 where: short stacking energy: -565.068 Base-Backbone interact. energy: -3.769 local terms energy: -657.260004 where: bonds (distance) C4'-P energy: -125.698 bonds (distance) P-C4' energy: -123.274 flat angles C4'-P-C4' energy: -146.662 flat angles P-C4'-P energy: -109.138 tors. eta vs tors. theta energy: -152.487 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1692.351392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.351392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.351392 (E_RNA) where: Base-Base interactions energy: -1111.552 where: short stacking energy: -481.488 Base-Backbone interact. energy: -2.415 local terms energy: -578.384320 where: bonds (distance) C4'-P energy: -125.352 bonds (distance) P-C4' energy: -137.596 flat angles C4'-P-C4' energy: -123.603 flat angles P-C4'-P energy: -85.132 tors. eta vs tors. theta energy: -106.701 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: 444 Temperature: 1.250000 Total energy: -1557.826221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.826221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.826221 (E_RNA) where: Base-Base interactions energy: -986.868 where: short stacking energy: -444.988 Base-Backbone interact. energy: 1.637 local terms energy: -572.594917 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -127.002 flat angles C4'-P-C4' energy: -137.536 flat angles P-C4'-P energy: -68.080 tors. eta vs tors. theta energy: -91.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1134.010416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.010416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.010416 (E_RNA) where: Base-Base interactions energy: -672.367 where: short stacking energy: -334.343 Base-Backbone interact. energy: 1.539 local terms energy: -463.182626 where: bonds (distance) C4'-P energy: -120.146 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -122.646 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: -42.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1029.117832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.117832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.117832 (E_RNA) where: Base-Base interactions energy: -619.296 where: short stacking energy: -309.108 Base-Backbone interact. energy: -1.132 local terms energy: -408.690325 where: bonds (distance) C4'-P energy: -119.939 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -107.979 flat angles P-C4'-P energy: -54.257 tors. eta vs tors. theta energy: -29.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2793.546007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.546007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.546007 (E_RNA) where: Base-Base interactions energy: -1964.725 where: short stacking energy: -834.740 Base-Backbone interact. energy: -2.535 local terms energy: -826.285971 where: bonds (distance) C4'-P energy: -134.410 bonds (distance) P-C4' energy: -148.435 flat angles C4'-P-C4' energy: -180.837 flat angles P-C4'-P energy: -112.055 tors. eta vs tors. theta energy: -250.548 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: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2624.429727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.429727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.429727 (E_RNA) where: Base-Base interactions energy: -1836.029 where: short stacking energy: -731.667 Base-Backbone interact. energy: -1.546 local terms energy: -786.853965 where: bonds (distance) C4'-P energy: -146.679 bonds (distance) P-C4' energy: -142.799 flat angles C4'-P-C4' energy: -168.740 flat angles P-C4'-P energy: -105.907 tors. eta vs tors. theta energy: -222.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2477.361404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.361404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.361404 (E_RNA) where: Base-Base interactions energy: -1714.943 where: short stacking energy: -758.324 Base-Backbone interact. energy: 0.043 local terms energy: -762.461305 where: bonds (distance) C4'-P energy: -142.672 bonds (distance) P-C4' energy: -127.588 flat angles C4'-P-C4' energy: -170.403 flat angles P-C4'-P energy: -105.868 tors. eta vs tors. theta energy: -215.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2399.977950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.977950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.977950 (E_RNA) where: Base-Base interactions energy: -1675.960 where: short stacking energy: -717.714 Base-Backbone interact. energy: -2.794 local terms energy: -721.224345 where: bonds (distance) C4'-P energy: -126.057 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -165.018 flat angles P-C4'-P energy: -94.356 tors. eta vs tors. theta energy: -204.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2238.676621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.676621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.676621 (E_RNA) where: Base-Base interactions energy: -1523.561 where: short stacking energy: -649.010 Base-Backbone interact. energy: 3.531 local terms energy: -718.646462 where: bonds (distance) C4'-P energy: -135.301 bonds (distance) P-C4' energy: -136.971 flat angles C4'-P-C4' energy: -161.938 flat angles P-C4'-P energy: -91.311 tors. eta vs tors. theta energy: -193.125 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: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2088.054923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.054923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.054923 (E_RNA) where: Base-Base interactions energy: -1425.666 where: short stacking energy: -597.818 Base-Backbone interact. energy: 2.061 local terms energy: -664.450425 where: bonds (distance) C4'-P energy: -127.325 bonds (distance) P-C4' energy: -136.802 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -164.022 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1703.943646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.943646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.943646 (E_RNA) where: Base-Base interactions energy: -1123.278 where: short stacking energy: -488.405 Base-Backbone interact. energy: 1.956 local terms energy: -582.621425 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -143.172 flat angles C4'-P-C4' energy: -129.646 flat angles P-C4'-P energy: -85.084 tors. eta vs tors. theta energy: -108.546 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: 445 Temperature: 1.250000 Total energy: -1495.766728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.766728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.766728 (E_RNA) where: Base-Base interactions energy: -992.472 where: short stacking energy: -434.033 Base-Backbone interact. energy: -0.402 local terms energy: -502.892873 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -113.272 flat angles C4'-P-C4' energy: -125.351 flat angles P-C4'-P energy: -58.444 tors. eta vs tors. theta energy: -91.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1137.645560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.645560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.645560 (E_RNA) where: Base-Base interactions energy: -685.002 where: short stacking energy: -335.572 Base-Backbone interact. energy: 0.856 local terms energy: -453.499342 where: bonds (distance) C4'-P energy: -119.562 bonds (distance) P-C4' energy: -113.763 flat angles C4'-P-C4' energy: -108.206 flat angles P-C4'-P energy: -74.651 tors. eta vs tors. theta energy: -37.318 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: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1032.427569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.427569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.427569 (E_RNA) where: Base-Base interactions energy: -563.354 where: short stacking energy: -252.941 Base-Backbone interact. energy: -2.998 local terms energy: -466.075608 where: bonds (distance) C4'-P energy: -128.026 bonds (distance) P-C4' energy: -127.328 flat angles C4'-P-C4' energy: -114.747 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -19.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2783.209365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.209365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.209365 (E_RNA) where: Base-Base interactions energy: -1927.391 where: short stacking energy: -816.633 Base-Backbone interact. energy: -1.864 local terms energy: -853.954394 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -143.801 flat angles C4'-P-C4' energy: -182.460 flat angles P-C4'-P energy: -122.041 tors. eta vs tors. theta energy: -247.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2646.272996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.272996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.272996 (E_RNA) where: Base-Base interactions energy: -1868.336 where: short stacking energy: -770.052 Base-Backbone interact. energy: -1.984 local terms energy: -775.953096 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -144.604 flat angles C4'-P-C4' energy: -168.255 flat angles P-C4'-P energy: -100.732 tors. eta vs tors. theta energy: -218.360 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: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2488.028742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.028742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.028742 (E_RNA) where: Base-Base interactions energy: -1723.142 where: short stacking energy: -726.834 Base-Backbone interact. energy: 0.818 local terms energy: -765.704802 where: bonds (distance) C4'-P energy: -143.325 bonds (distance) P-C4' energy: -137.458 flat angles C4'-P-C4' energy: -167.556 flat angles P-C4'-P energy: -113.035 tors. eta vs tors. theta energy: -204.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2360.396032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.396032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.396032 (E_RNA) where: Base-Base interactions energy: -1624.079 where: short stacking energy: -700.625 Base-Backbone interact. energy: 2.654 local terms energy: -738.970746 where: bonds (distance) C4'-P energy: -114.179 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -154.610 flat angles P-C4'-P energy: -111.080 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: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2245.408098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.408098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.408098 (E_RNA) where: Base-Base interactions energy: -1548.970 where: short stacking energy: -684.416 Base-Backbone interact. energy: -3.212 local terms energy: -693.225943 where: bonds (distance) C4'-P energy: -125.377 bonds (distance) P-C4' energy: -126.468 flat angles C4'-P-C4' energy: -137.498 flat angles P-C4'-P energy: -102.319 tors. eta vs tors. theta energy: -201.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2059.321807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.321807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.321807 (E_RNA) where: Base-Base interactions energy: -1426.737 where: short stacking energy: -602.251 Base-Backbone interact. energy: -2.323 local terms energy: -630.261825 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -140.292 flat angles C4'-P-C4' energy: -151.294 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -134.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1612.311815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.311815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.311815 (E_RNA) where: Base-Base interactions energy: -1023.106 where: short stacking energy: -466.391 Base-Backbone interact. energy: -0.039 local terms energy: -589.166161 where: bonds (distance) C4'-P energy: -126.882 bonds (distance) P-C4' energy: -129.498 flat angles C4'-P-C4' energy: -136.279 flat angles P-C4'-P energy: -91.355 tors. eta vs tors. theta energy: -105.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1637.124701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.124701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.124701 (E_RNA) where: Base-Base interactions energy: -1081.724 where: short stacking energy: -467.472 Base-Backbone interact. energy: -0.449 local terms energy: -554.951820 where: bonds (distance) C4'-P energy: -110.425 bonds (distance) P-C4' energy: -124.973 flat angles C4'-P-C4' energy: -136.381 flat angles P-C4'-P energy: -73.973 tors. eta vs tors. theta energy: -109.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1166.515577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.515577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.515577 (E_RNA) where: Base-Base interactions energy: -719.901 where: short stacking energy: -340.633 Base-Backbone interact. energy: 2.449 local terms energy: -449.063324 where: bonds (distance) C4'-P energy: -93.627 bonds (distance) P-C4' energy: -108.459 flat angles C4'-P-C4' energy: -119.496 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -55.221 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: 446 Temperature: 1.350000 Total energy: -1072.009424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.009424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.009424 (E_RNA) where: Base-Base interactions energy: -606.721 where: short stacking energy: -310.818 Base-Backbone interact. energy: 1.742 local terms energy: -467.030467 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -115.040 flat angles C4'-P-C4' energy: -114.166 flat angles P-C4'-P energy: -78.321 tors. eta vs tors. theta energy: -39.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2780.899306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.899306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.899306 (E_RNA) where: Base-Base interactions energy: -1925.637 where: short stacking energy: -828.874 Base-Backbone interact. energy: -2.247 local terms energy: -853.015366 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -148.280 flat angles C4'-P-C4' energy: -184.460 flat angles P-C4'-P energy: -113.503 tors. eta vs tors. theta energy: -251.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2599.415179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.415179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.415179 (E_RNA) where: Base-Base interactions energy: -1846.648 where: short stacking energy: -753.937 Base-Backbone interact. energy: -2.963 local terms energy: -749.804519 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -171.869 flat angles P-C4'-P energy: -95.267 tors. eta vs tors. theta energy: -211.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2474.051047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.051047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.051047 (E_RNA) where: Base-Base interactions energy: -1713.508 where: short stacking energy: -711.951 Base-Backbone interact. energy: -1.370 local terms energy: -759.173221 where: bonds (distance) C4'-P energy: -160.556 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -173.856 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -196.697 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2382.427585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.427585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.427585 (E_RNA) where: Base-Base interactions energy: -1641.477 where: short stacking energy: -698.653 Base-Backbone interact. energy: -1.429 local terms energy: -739.521995 where: bonds (distance) C4'-P energy: -121.201 bonds (distance) P-C4' energy: -152.345 flat angles C4'-P-C4' energy: -160.709 flat angles P-C4'-P energy: -115.549 tors. eta vs tors. theta energy: -189.718 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: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2221.252366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.252366 (E_RNA) where: Base-Base interactions energy: -1520.600 where: short stacking energy: -639.328 Base-Backbone interact. energy: 1.124 local terms energy: -701.776194 where: bonds (distance) C4'-P energy: -140.482 bonds (distance) P-C4' energy: -129.305 flat angles C4'-P-C4' energy: -155.672 flat angles P-C4'-P energy: -91.880 tors. eta vs tors. theta energy: -184.436 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: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2063.246269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.246269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.246269 (E_RNA) where: Base-Base interactions energy: -1410.843 where: short stacking energy: -614.396 Base-Backbone interact. energy: 0.677 local terms energy: -653.080064 where: bonds (distance) C4'-P energy: -151.606 bonds (distance) P-C4' energy: -106.510 flat angles C4'-P-C4' energy: -131.183 flat angles P-C4'-P energy: -95.200 tors. eta vs tors. theta energy: -168.581 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1649.095951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.095951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.095951 (E_RNA) where: Base-Base interactions energy: -1074.485 where: short stacking energy: -484.528 Base-Backbone interact. energy: -3.797 local terms energy: -570.813846 where: bonds (distance) C4'-P energy: -109.703 bonds (distance) P-C4' energy: -133.947 flat angles C4'-P-C4' energy: -123.166 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -117.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1525.513695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.513695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.513695 (E_RNA) where: Base-Base interactions energy: -980.455 where: short stacking energy: -419.483 Base-Backbone interact. energy: 1.971 local terms energy: -547.030292 where: bonds (distance) C4'-P energy: -108.600 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -130.716 flat angles P-C4'-P energy: -89.343 tors. eta vs tors. theta energy: -80.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1177.363474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.363474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.363474 (E_RNA) where: Base-Base interactions energy: -708.160 where: short stacking energy: -338.481 Base-Backbone interact. energy: 1.922 local terms energy: -471.125221 where: bonds (distance) C4'-P energy: -106.382 bonds (distance) P-C4' energy: -133.444 flat angles C4'-P-C4' energy: -118.614 flat angles P-C4'-P energy: -45.130 tors. eta vs tors. theta energy: -67.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1081.585876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.585876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.585876 (E_RNA) where: Base-Base interactions energy: -657.461 where: short stacking energy: -308.689 Base-Backbone interact. energy: -0.737 local terms energy: -423.387777 where: bonds (distance) C4'-P energy: -110.314 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -125.113 flat angles P-C4'-P energy: -47.746 tors. eta vs tors. theta energy: -29.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2780.666065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.666065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.666065 (E_RNA) where: Base-Base interactions energy: -1945.077 where: short stacking energy: -818.882 Base-Backbone interact. energy: -2.360 local terms energy: -833.228309 where: bonds (distance) C4'-P energy: -159.300 bonds (distance) P-C4' energy: -139.786 flat angles C4'-P-C4' energy: -171.488 flat angles P-C4'-P energy: -114.836 tors. eta vs tors. theta energy: -247.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2593.386266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.386266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.386266 (E_RNA) where: Base-Base interactions energy: -1852.461 where: short stacking energy: -752.255 Base-Backbone interact. energy: -0.077 local terms energy: -740.848643 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -124.160 flat angles C4'-P-C4' energy: -169.946 flat angles P-C4'-P energy: -117.136 tors. eta vs tors. theta energy: -201.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2477.303151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.303151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.303151 (E_RNA) where: Base-Base interactions energy: -1714.826 where: short stacking energy: -683.454 Base-Backbone interact. energy: -1.482 local terms energy: -760.995021 where: bonds (distance) C4'-P energy: -137.133 bonds (distance) P-C4' energy: -146.437 flat angles C4'-P-C4' energy: -168.190 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -189.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2344.640177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.640177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.640177 (E_RNA) where: Base-Base interactions energy: -1602.610 where: short stacking energy: -686.929 Base-Backbone interact. energy: -0.437 local terms energy: -741.593023 where: bonds (distance) C4'-P energy: -141.427 bonds (distance) P-C4' energy: -146.937 flat angles C4'-P-C4' energy: -145.853 flat angles P-C4'-P energy: -105.365 tors. eta vs tors. theta energy: -202.011 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: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2226.342303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.342303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.342303 (E_RNA) where: Base-Base interactions energy: -1535.142 where: short stacking energy: -657.007 Base-Backbone interact. energy: -4.785 local terms energy: -686.415209 where: bonds (distance) C4'-P energy: -130.253 bonds (distance) P-C4' energy: -135.997 flat angles C4'-P-C4' energy: -151.138 flat angles P-C4'-P energy: -90.146 tors. eta vs tors. theta energy: -178.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2109.850377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.850377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.850377 (E_RNA) where: Base-Base interactions energy: -1456.444 where: short stacking energy: -623.633 Base-Backbone interact. energy: -3.169 local terms energy: -650.237362 where: bonds (distance) C4'-P energy: -132.041 bonds (distance) P-C4' energy: -112.691 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -106.899 tors. eta vs tors. theta energy: -167.437 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: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1619.478561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.478561 (E_RNA) where: Base-Base interactions energy: -1026.097 where: short stacking energy: -489.739 Base-Backbone interact. energy: -0.199 local terms energy: -593.182837 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -116.032 flat angles C4'-P-C4' energy: -146.451 flat angles P-C4'-P energy: -103.305 tors. eta vs tors. theta energy: -105.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1529.870344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.870344 (E_RNA) where: Base-Base interactions energy: -1001.946 where: short stacking energy: -453.094 Base-Backbone interact. energy: -1.952 local terms energy: -525.972452 where: bonds (distance) C4'-P energy: -109.517 bonds (distance) P-C4' energy: -116.167 flat angles C4'-P-C4' energy: -113.987 flat angles P-C4'-P energy: -94.831 tors. eta vs tors. theta energy: -91.471 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: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1169.094009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.094009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.094009 (E_RNA) where: Base-Base interactions energy: -681.576 where: short stacking energy: -348.244 Base-Backbone interact. energy: 0.630 local terms energy: -488.148150 where: bonds (distance) C4'-P energy: -119.862 bonds (distance) P-C4' energy: -134.778 flat angles C4'-P-C4' energy: -98.114 flat angles P-C4'-P energy: -71.147 tors. eta vs tors. theta energy: -64.248 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: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1093.581814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.581814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.581814 (E_RNA) where: Base-Base interactions energy: -636.557 where: short stacking energy: -288.068 Base-Backbone interact. energy: 0.278 local terms energy: -457.302784 where: bonds (distance) C4'-P energy: -114.171 bonds (distance) P-C4' energy: -142.892 flat angles C4'-P-C4' energy: -102.933 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -30.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2782.586129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.586129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.586129 (E_RNA) where: Base-Base interactions energy: -1945.235 where: short stacking energy: -829.721 Base-Backbone interact. energy: -2.467 local terms energy: -834.884137 where: bonds (distance) C4'-P energy: -147.199 bonds (distance) P-C4' energy: -137.050 flat angles C4'-P-C4' energy: -172.925 flat angles P-C4'-P energy: -116.833 tors. eta vs tors. theta energy: -260.877 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: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2599.088125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.088125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.088125 (E_RNA) where: Base-Base interactions energy: -1858.390 where: short stacking energy: -729.124 Base-Backbone interact. energy: -2.705 local terms energy: -737.993525 where: bonds (distance) C4'-P energy: -133.962 bonds (distance) P-C4' energy: -126.559 flat angles C4'-P-C4' energy: -165.518 flat angles P-C4'-P energy: -101.722 tors. eta vs tors. theta energy: -210.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2536.037418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.037418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.037418 (E_RNA) where: Base-Base interactions energy: -1782.325 where: short stacking energy: -722.375 Base-Backbone interact. energy: -3.030 local terms energy: -750.682449 where: bonds (distance) C4'-P energy: -150.252 bonds (distance) P-C4' energy: -139.023 flat angles C4'-P-C4' energy: -162.326 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -192.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2332.349356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.349356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.349356 (E_RNA) where: Base-Base interactions energy: -1611.161 where: short stacking energy: -694.853 Base-Backbone interact. energy: -2.029 local terms energy: -719.160028 where: bonds (distance) C4'-P energy: -119.247 bonds (distance) P-C4' energy: -131.045 flat angles C4'-P-C4' energy: -163.414 flat angles P-C4'-P energy: -102.554 tors. eta vs tors. theta energy: -202.900 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: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2256.344548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.344548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.344548 (E_RNA) where: Base-Base interactions energy: -1550.352 where: short stacking energy: -635.921 Base-Backbone interact. energy: -2.114 local terms energy: -703.877990 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -141.257 flat angles C4'-P-C4' energy: -133.267 flat angles P-C4'-P energy: -104.582 tors. eta vs tors. theta energy: -179.282 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: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2102.583270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.583270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.583270 (E_RNA) where: Base-Base interactions energy: -1456.244 where: short stacking energy: -645.868 Base-Backbone interact. energy: 5.779 local terms energy: -652.118656 where: bonds (distance) C4'-P energy: -122.608 bonds (distance) P-C4' energy: -135.540 flat angles C4'-P-C4' energy: -138.681 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -168.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1629.997897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.997897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.997897 (E_RNA) where: Base-Base interactions energy: -1025.923 where: short stacking energy: -459.501 Base-Backbone interact. energy: 0.589 local terms energy: -604.663243 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -89.145 tors. eta vs tors. theta energy: -110.840 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: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1521.321959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.321959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.321959 (E_RNA) where: Base-Base interactions energy: -968.821 where: short stacking energy: -424.487 Base-Backbone interact. energy: 1.825 local terms energy: -554.325970 where: bonds (distance) C4'-P energy: -124.429 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -123.879 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -92.260 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: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1182.811772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.811772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.811772 (E_RNA) where: Base-Base interactions energy: -717.741 where: short stacking energy: -337.031 Base-Backbone interact. energy: 0.761 local terms energy: -465.832315 where: bonds (distance) C4'-P energy: -107.329 bonds (distance) P-C4' energy: -116.260 flat angles C4'-P-C4' energy: -124.013 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -50.943 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: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1075.298570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.298570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.298570 (E_RNA) where: Base-Base interactions energy: -647.614 where: short stacking energy: -292.609 Base-Backbone interact. energy: 3.406 local terms energy: -431.090495 where: bonds (distance) C4'-P energy: -108.441 bonds (distance) P-C4' energy: -124.668 flat angles C4'-P-C4' energy: -105.439 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: -23.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2790.989771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.989771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.989771 (E_RNA) where: Base-Base interactions energy: -1927.530 where: short stacking energy: -822.816 Base-Backbone interact. energy: -3.384 local terms energy: -860.075471 where: bonds (distance) C4'-P energy: -151.411 bonds (distance) P-C4' energy: -158.645 flat angles C4'-P-C4' energy: -170.169 flat angles P-C4'-P energy: -130.362 tors. eta vs tors. theta energy: -249.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2620.273271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.273271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.273271 (E_RNA) where: Base-Base interactions energy: -1824.482 where: short stacking energy: -751.557 Base-Backbone interact. energy: 1.415 local terms energy: -797.206609 where: bonds (distance) C4'-P energy: -159.576 bonds (distance) P-C4' energy: -158.140 flat angles C4'-P-C4' energy: -161.173 flat angles P-C4'-P energy: -108.974 tors. eta vs tors. theta energy: -209.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2518.394998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.394998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.394998 (E_RNA) where: Base-Base interactions energy: -1775.635 where: short stacking energy: -733.095 Base-Backbone interact. energy: -1.844 local terms energy: -740.916800 where: bonds (distance) C4'-P energy: -131.538 bonds (distance) P-C4' energy: -144.526 flat angles C4'-P-C4' energy: -148.255 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -209.510 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: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2307.851429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.851429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.851429 (E_RNA) where: Base-Base interactions energy: -1582.016 where: short stacking energy: -659.089 Base-Backbone interact. energy: 0.727 local terms energy: -726.562690 where: bonds (distance) C4'-P energy: -129.119 bonds (distance) P-C4' energy: -139.758 flat angles C4'-P-C4' energy: -156.289 flat angles P-C4'-P energy: -103.827 tors. eta vs tors. theta energy: -197.569 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: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2272.377889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.377889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.377889 (E_RNA) where: Base-Base interactions energy: -1561.189 where: short stacking energy: -665.934 Base-Backbone interact. energy: 3.225 local terms energy: -714.413953 where: bonds (distance) C4'-P energy: -129.351 bonds (distance) P-C4' energy: -137.254 flat angles C4'-P-C4' energy: -155.164 flat angles P-C4'-P energy: -110.255 tors. eta vs tors. theta energy: -182.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2076.475607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.475607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.475607 (E_RNA) where: Base-Base interactions energy: -1431.630 where: short stacking energy: -598.968 Base-Backbone interact. energy: -0.661 local terms energy: -644.184847 where: bonds (distance) C4'-P energy: -119.381 bonds (distance) P-C4' energy: -129.170 flat angles C4'-P-C4' energy: -141.594 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: -169.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1664.872523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.872523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.872523 (E_RNA) where: Base-Base interactions energy: -1100.250 where: short stacking energy: -472.134 Base-Backbone interact. energy: 5.381 local terms energy: -570.003722 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -128.519 flat angles C4'-P-C4' energy: -137.772 flat angles P-C4'-P energy: -73.764 tors. eta vs tors. theta energy: -111.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1549.043362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.043362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.043362 (E_RNA) where: Base-Base interactions energy: -1011.853 where: short stacking energy: -445.926 Base-Backbone interact. energy: -0.331 local terms energy: -536.859035 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -120.952 flat angles C4'-P-C4' energy: -121.623 flat angles P-C4'-P energy: -78.649 tors. eta vs tors. theta energy: -98.219 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: 9, replica: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1239.128225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.128225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.128225 (E_RNA) where: Base-Base interactions energy: -771.635 where: short stacking energy: -380.835 Base-Backbone interact. energy: 2.242 local terms energy: -469.735162 where: bonds (distance) C4'-P energy: -119.775 bonds (distance) P-C4' energy: -117.598 flat angles C4'-P-C4' energy: -127.052 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -43.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1043.187870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.187870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.187870 (E_RNA) where: Base-Base interactions energy: -612.239 where: short stacking energy: -292.049 Base-Backbone interact. energy: 0.183 local terms energy: -431.132590 where: bonds (distance) C4'-P energy: -128.801 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -99.157 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -7.366 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: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2769.503593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.503593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.503593 (E_RNA) where: Base-Base interactions energy: -1943.906 where: short stacking energy: -822.761 Base-Backbone interact. energy: -4.336 local terms energy: -821.261806 where: bonds (distance) C4'-P energy: -142.961 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -181.884 flat angles P-C4'-P energy: -110.292 tors. eta vs tors. theta energy: -235.793 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: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2614.863287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.863287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.863287 (E_RNA) where: Base-Base interactions energy: -1822.417 where: short stacking energy: -761.386 Base-Backbone interact. energy: 1.785 local terms energy: -794.231502 where: bonds (distance) C4'-P energy: -143.628 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -173.005 flat angles P-C4'-P energy: -110.808 tors. eta vs tors. theta energy: -215.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2537.269863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.269863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.269863 (E_RNA) where: Base-Base interactions energy: -1785.374 where: short stacking energy: -749.710 Base-Backbone interact. energy: -3.871 local terms energy: -748.024306 where: bonds (distance) C4'-P energy: -141.298 bonds (distance) P-C4' energy: -136.115 flat angles C4'-P-C4' energy: -161.572 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -198.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2356.454194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.454194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.454194 (E_RNA) where: Base-Base interactions energy: -1620.633 where: short stacking energy: -693.731 Base-Backbone interact. energy: -0.119 local terms energy: -735.702333 where: bonds (distance) C4'-P energy: -139.604 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -160.210 flat angles P-C4'-P energy: -112.428 tors. eta vs tors. theta energy: -192.811 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: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2298.017202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.017202 (E_RNA) where: Base-Base interactions energy: -1600.749 where: short stacking energy: -686.270 Base-Backbone interact. energy: -3.330 local terms energy: -693.937347 where: bonds (distance) C4'-P energy: -129.014 bonds (distance) P-C4' energy: -130.621 flat angles C4'-P-C4' energy: -153.207 flat angles P-C4'-P energy: -89.201 tors. eta vs tors. theta energy: -191.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2070.361736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.361736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.361736 (E_RNA) where: Base-Base interactions energy: -1456.692 where: short stacking energy: -613.932 Base-Backbone interact. energy: 2.094 local terms energy: -615.764009 where: bonds (distance) C4'-P energy: -111.825 bonds (distance) P-C4' energy: -122.452 flat angles C4'-P-C4' energy: -142.197 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -138.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1734.658183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.658183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.658183 (E_RNA) where: Base-Base interactions energy: -1160.378 where: short stacking energy: -528.662 Base-Backbone interact. energy: -2.096 local terms energy: -572.184238 where: bonds (distance) C4'-P energy: -110.077 bonds (distance) P-C4' energy: -131.128 flat angles C4'-P-C4' energy: -142.451 flat angles P-C4'-P energy: -67.384 tors. eta vs tors. theta energy: -121.143 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: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1615.124886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.124886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.124886 (E_RNA) where: Base-Base interactions energy: -1057.996 where: short stacking energy: -466.547 Base-Backbone interact. energy: 2.541 local terms energy: -559.669867 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -131.418 flat angles C4'-P-C4' energy: -122.616 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -111.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1187.946165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.946165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.946165 (E_RNA) where: Base-Base interactions energy: -708.633 where: short stacking energy: -348.672 Base-Backbone interact. energy: 1.621 local terms energy: -480.933968 where: bonds (distance) C4'-P energy: -122.147 bonds (distance) P-C4' energy: -123.879 flat angles C4'-P-C4' energy: -111.774 flat angles P-C4'-P energy: -74.313 tors. eta vs tors. theta energy: -48.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1051.453977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.453977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.453977 (E_RNA) where: Base-Base interactions energy: -612.336 where: short stacking energy: -280.483 Base-Backbone interact. energy: 0.280 local terms energy: -439.397925 where: bonds (distance) C4'-P energy: -96.158 bonds (distance) P-C4' energy: -131.800 flat angles C4'-P-C4' energy: -111.978 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -29.564 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: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2780.955633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.955633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.955633 (E_RNA) where: Base-Base interactions energy: -1971.879 where: short stacking energy: -795.730 Base-Backbone interact. energy: -2.537 local terms energy: -806.539996 where: bonds (distance) C4'-P energy: -143.436 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -160.649 flat angles P-C4'-P energy: -117.523 tors. eta vs tors. theta energy: -238.543 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2602.172763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.172763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.172763 (E_RNA) where: Base-Base interactions energy: -1819.742 where: short stacking energy: -743.986 Base-Backbone interact. energy: -2.418 local terms energy: -780.012379 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -136.946 flat angles C4'-P-C4' energy: -165.551 flat angles P-C4'-P energy: -123.327 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: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2528.292418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.292418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.292418 (E_RNA) where: Base-Base interactions energy: -1773.758 where: short stacking energy: -722.228 Base-Backbone interact. energy: -1.220 local terms energy: -753.315012 where: bonds (distance) C4'-P energy: -139.558 bonds (distance) P-C4' energy: -139.953 flat angles C4'-P-C4' energy: -152.368 flat angles P-C4'-P energy: -108.097 tors. eta vs tors. theta energy: -213.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2333.363851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.363851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.363851 (E_RNA) where: Base-Base interactions energy: -1588.495 where: short stacking energy: -671.324 Base-Backbone interact. energy: -1.865 local terms energy: -743.004104 where: bonds (distance) C4'-P energy: -144.675 bonds (distance) P-C4' energy: -142.308 flat angles C4'-P-C4' energy: -159.596 flat angles P-C4'-P energy: -101.551 tors. eta vs tors. theta energy: -194.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2233.516980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.516980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.516980 (E_RNA) where: Base-Base interactions energy: -1534.937 where: short stacking energy: -635.852 Base-Backbone interact. energy: -1.049 local terms energy: -697.530969 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -127.202 flat angles C4'-P-C4' energy: -149.106 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -193.056 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: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2044.150077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.150077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.150077 (E_RNA) where: Base-Base interactions energy: -1417.208 where: short stacking energy: -557.044 Base-Backbone interact. energy: 2.412 local terms energy: -629.353620 where: bonds (distance) C4'-P energy: -125.877 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -144.500 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -134.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1754.345700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.345700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.345700 (E_RNA) where: Base-Base interactions energy: -1160.135 where: short stacking energy: -537.020 Base-Backbone interact. energy: -1.162 local terms energy: -593.048953 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -121.236 flat angles C4'-P-C4' energy: -158.349 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -116.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1594.461078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.461078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.461078 (E_RNA) where: Base-Base interactions energy: -1054.471 where: short stacking energy: -446.494 Base-Backbone interact. energy: -2.334 local terms energy: -537.656711 where: bonds (distance) C4'-P energy: -129.479 bonds (distance) P-C4' energy: -123.630 flat angles C4'-P-C4' energy: -110.879 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -118.641 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: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1149.719152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.719152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.719152 (E_RNA) where: Base-Base interactions energy: -692.630 where: short stacking energy: -318.385 Base-Backbone interact. energy: -1.421 local terms energy: -455.667958 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -133.150 flat angles C4'-P-C4' energy: -127.249 flat angles P-C4'-P energy: -71.646 tors. eta vs tors. theta energy: -20.577 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: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1055.795167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.795167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.795167 (E_RNA) where: Base-Base interactions energy: -599.995 where: short stacking energy: -302.402 Base-Backbone interact. energy: 4.669 local terms energy: -460.469242 where: bonds (distance) C4'-P energy: -120.287 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -105.361 flat angles P-C4'-P energy: -75.857 tors. eta vs tors. theta energy: -37.796 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: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2764.159792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.159792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.159792 (E_RNA) where: Base-Base interactions energy: -1925.081 where: short stacking energy: -789.637 Base-Backbone interact. energy: -3.736 local terms energy: -835.342597 where: bonds (distance) C4'-P energy: -148.178 bonds (distance) P-C4' energy: -159.987 flat angles C4'-P-C4' energy: -162.562 flat angles P-C4'-P energy: -123.955 tors. eta vs tors. theta energy: -240.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2609.656461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.656461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.656461 (E_RNA) where: Base-Base interactions energy: -1829.671 where: short stacking energy: -759.523 Base-Backbone interact. energy: -2.351 local terms energy: -777.633695 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -134.542 flat angles C4'-P-C4' energy: -166.404 flat angles P-C4'-P energy: -114.647 tors. eta vs tors. theta energy: -225.805 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: 453 Temperature: 1.000000 Total energy: -2506.787993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.787993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.787993 (E_RNA) where: Base-Base interactions energy: -1765.490 where: short stacking energy: -732.084 Base-Backbone interact. energy: -1.101 local terms energy: -740.197569 where: bonds (distance) C4'-P energy: -132.247 bonds (distance) P-C4' energy: -122.466 flat angles C4'-P-C4' energy: -167.450 flat angles P-C4'-P energy: -103.166 tors. eta vs tors. theta energy: -214.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2299.878217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.878217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.878217 (E_RNA) where: Base-Base interactions energy: -1555.209 where: short stacking energy: -675.486 Base-Backbone interact. energy: -0.097 local terms energy: -744.571571 where: bonds (distance) C4'-P energy: -139.737 bonds (distance) P-C4' energy: -158.427 flat angles C4'-P-C4' energy: -152.847 flat angles P-C4'-P energy: -99.960 tors. eta vs tors. theta energy: -193.602 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: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2248.029836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.029836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.029836 (E_RNA) where: Base-Base interactions energy: -1532.671 where: short stacking energy: -669.736 Base-Backbone interact. energy: -3.406 local terms energy: -711.952364 where: bonds (distance) C4'-P energy: -124.805 bonds (distance) P-C4' energy: -123.541 flat angles C4'-P-C4' energy: -165.419 flat angles P-C4'-P energy: -112.312 tors. eta vs tors. theta energy: -185.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2062.443687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.443687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.443687 (E_RNA) where: Base-Base interactions energy: -1427.388 where: short stacking energy: -593.772 Base-Backbone interact. energy: -1.585 local terms energy: -633.470467 where: bonds (distance) C4'-P energy: -99.841 bonds (distance) P-C4' energy: -132.084 flat angles C4'-P-C4' energy: -158.208 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -148.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1722.539406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.539406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.539406 (E_RNA) where: Base-Base interactions energy: -1148.251 where: short stacking energy: -516.681 Base-Backbone interact. energy: 1.176 local terms energy: -575.464681 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -107.454 flat angles C4'-P-C4' energy: -131.885 flat angles P-C4'-P energy: -86.044 tors. eta vs tors. theta energy: -125.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1623.064430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.064430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.064430 (E_RNA) where: Base-Base interactions energy: -1068.969 where: short stacking energy: -482.093 Base-Backbone interact. energy: -4.452 local terms energy: -549.643453 where: bonds (distance) C4'-P energy: -129.397 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -120.807 flat angles P-C4'-P energy: -76.337 tors. eta vs tors. theta energy: -110.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1142.917342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.917342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.917342 (E_RNA) where: Base-Base interactions energy: -686.327 where: short stacking energy: -314.564 Base-Backbone interact. energy: 1.290 local terms energy: -457.879758 where: bonds (distance) C4'-P energy: -106.432 bonds (distance) P-C4' energy: -106.443 flat angles C4'-P-C4' energy: -136.657 flat angles P-C4'-P energy: -72.959 tors. eta vs tors. theta energy: -35.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1060.416416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.416416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.416416 (E_RNA) where: Base-Base interactions energy: -648.767 where: short stacking energy: -303.503 Base-Backbone interact. energy: -1.451 local terms energy: -410.197766 where: bonds (distance) C4'-P energy: -104.543 bonds (distance) P-C4' energy: -113.682 flat angles C4'-P-C4' energy: -120.821 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -27.347 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: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2764.413647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.413647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.413647 (E_RNA) where: Base-Base interactions energy: -1967.386 where: short stacking energy: -828.119 Base-Backbone interact. energy: -2.764 local terms energy: -794.263416 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -133.365 flat angles C4'-P-C4' energy: -177.208 flat angles P-C4'-P energy: -112.713 tors. eta vs tors. theta energy: -247.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2637.158229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.158229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.158229 (E_RNA) where: Base-Base interactions energy: -1848.838 where: short stacking energy: -765.442 Base-Backbone interact. energy: -3.488 local terms energy: -784.831390 where: bonds (distance) C4'-P energy: -122.360 bonds (distance) P-C4' energy: -161.577 flat angles C4'-P-C4' energy: -166.427 flat angles P-C4'-P energy: -124.403 tors. eta vs tors. theta energy: -210.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2526.550214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.550214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.550214 (E_RNA) where: Base-Base interactions energy: -1772.874 where: short stacking energy: -760.402 Base-Backbone interact. energy: -4.779 local terms energy: -748.896470 where: bonds (distance) C4'-P energy: -130.456 bonds (distance) P-C4' energy: -135.997 flat angles C4'-P-C4' energy: -157.755 flat angles P-C4'-P energy: -115.296 tors. eta vs tors. theta energy: -209.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2309.353619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.353619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.353619 (E_RNA) where: Base-Base interactions energy: -1578.578 where: short stacking energy: -710.434 Base-Backbone interact. energy: 1.060 local terms energy: -731.834980 where: bonds (distance) C4'-P energy: -128.580 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -151.874 flat angles P-C4'-P energy: -109.417 tors. eta vs tors. theta energy: -208.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2244.723093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.723093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.723093 (E_RNA) where: Base-Base interactions energy: -1524.632 where: short stacking energy: -651.385 Base-Backbone interact. energy: -0.997 local terms energy: -719.094103 where: bonds (distance) C4'-P energy: -140.838 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -166.172 flat angles P-C4'-P energy: -115.468 tors. eta vs tors. theta energy: -184.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2011.390422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.390422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.390422 (E_RNA) where: Base-Base interactions energy: -1395.170 where: short stacking energy: -574.800 Base-Backbone interact. energy: -3.703 local terms energy: -612.517640 where: bonds (distance) C4'-P energy: -113.513 bonds (distance) P-C4' energy: -135.799 flat angles C4'-P-C4' energy: -145.881 flat angles P-C4'-P energy: -90.056 tors. eta vs tors. theta energy: -127.269 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: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1691.211560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.211560 (E_RNA) where: Base-Base interactions energy: -1101.649 where: short stacking energy: -492.536 Base-Backbone interact. energy: -1.924 local terms energy: -587.639017 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -138.691 flat angles P-C4'-P energy: -75.776 tors. eta vs tors. theta energy: -111.046 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1573.251713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.251713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.251713 (E_RNA) where: Base-Base interactions energy: -1043.309 where: short stacking energy: -452.584 Base-Backbone interact. energy: 3.497 local terms energy: -533.439300 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -97.188 flat angles C4'-P-C4' energy: -119.588 flat angles P-C4'-P energy: -84.742 tors. eta vs tors. theta energy: -90.530 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: 9, replica: 4 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1137.399457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.399457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.399457 (E_RNA) where: Base-Base interactions energy: -671.269 where: short stacking energy: -314.831 Base-Backbone interact. energy: 4.083 local terms energy: -470.213114 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -126.337 flat angles C4'-P-C4' energy: -102.485 flat angles P-C4'-P energy: -71.625 tors. eta vs tors. theta energy: -54.210 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: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1053.593154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.593154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.593154 (E_RNA) where: Base-Base interactions energy: -615.775 where: short stacking energy: -301.176 Base-Backbone interact. energy: 4.910 local terms energy: -442.728064 where: bonds (distance) C4'-P energy: -123.424 bonds (distance) P-C4' energy: -126.280 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -32.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2760.227476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.227476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.227476 (E_RNA) where: Base-Base interactions energy: -1943.505 where: short stacking energy: -810.424 Base-Backbone interact. energy: -1.998 local terms energy: -814.724359 where: bonds (distance) C4'-P energy: -136.743 bonds (distance) P-C4' energy: -153.449 flat angles C4'-P-C4' energy: -170.896 flat angles P-C4'-P energy: -107.903 tors. eta vs tors. theta energy: -245.734 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: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2615.178165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.178165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.178165 (E_RNA) where: Base-Base interactions energy: -1838.923 where: short stacking energy: -779.311 Base-Backbone interact. energy: -0.272 local terms energy: -775.983173 where: bonds (distance) C4'-P energy: -146.650 bonds (distance) P-C4' energy: -139.995 flat angles C4'-P-C4' energy: -161.375 flat angles P-C4'-P energy: -107.757 tors. eta vs tors. theta energy: -220.207 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: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2498.339939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.339939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.339939 (E_RNA) where: Base-Base interactions energy: -1765.465 where: short stacking energy: -733.848 Base-Backbone interact. energy: -3.966 local terms energy: -728.908401 where: bonds (distance) C4'-P energy: -118.869 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -160.339 flat angles P-C4'-P energy: -111.669 tors. eta vs tors. theta energy: -198.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2304.898987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.898987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.898987 (E_RNA) where: Base-Base interactions energy: -1532.498 where: short stacking energy: -668.431 Base-Backbone interact. energy: -1.770 local terms energy: -770.630420 where: bonds (distance) C4'-P energy: -138.020 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -163.054 flat angles P-C4'-P energy: -120.607 tors. eta vs tors. theta energy: -200.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2195.942988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.942988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.942988 (E_RNA) where: Base-Base interactions energy: -1497.621 where: short stacking energy: -636.683 Base-Backbone interact. energy: 2.782 local terms energy: -701.103703 where: bonds (distance) C4'-P energy: -138.453 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -164.547 flat angles P-C4'-P energy: -93.127 tors. eta vs tors. theta energy: -177.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2007.103221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.103221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.103221 (E_RNA) where: Base-Base interactions energy: -1389.904 where: short stacking energy: -580.515 Base-Backbone interact. energy: -0.319 local terms energy: -616.879928 where: bonds (distance) C4'-P energy: -125.973 bonds (distance) P-C4' energy: -121.363 flat angles C4'-P-C4' energy: -135.130 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -138.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1729.433518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.433518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.433518 (E_RNA) where: Base-Base interactions energy: -1130.188 where: short stacking energy: -495.411 Base-Backbone interact. energy: 4.637 local terms energy: -603.882156 where: bonds (distance) C4'-P energy: -117.405 bonds (distance) P-C4' energy: -138.988 flat angles C4'-P-C4' energy: -145.113 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -111.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1520.926753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.926753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.926753 (E_RNA) where: Base-Base interactions energy: -979.681 where: short stacking energy: -458.478 Base-Backbone interact. energy: -1.247 local terms energy: -539.999228 where: bonds (distance) C4'-P energy: -124.204 bonds (distance) P-C4' energy: -115.823 flat angles C4'-P-C4' energy: -121.652 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -96.893 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: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1152.723357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.723357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.723357 (E_RNA) where: Base-Base interactions energy: -695.553 where: short stacking energy: -328.499 Base-Backbone interact. energy: 1.668 local terms energy: -458.837874 where: bonds (distance) C4'-P energy: -135.385 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -105.504 flat angles P-C4'-P energy: -67.569 tors. eta vs tors. theta energy: -48.285 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: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1038.906915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.906915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.906915 (E_RNA) where: Base-Base interactions energy: -610.768 where: short stacking energy: -302.144 Base-Backbone interact. energy: -2.693 local terms energy: -425.446203 where: bonds (distance) C4'-P energy: -111.320 bonds (distance) P-C4' energy: -124.664 flat angles C4'-P-C4' energy: -105.411 flat angles P-C4'-P energy: -67.285 tors. eta vs tors. theta energy: -16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2757.462882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.462882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.462882 (E_RNA) where: Base-Base interactions energy: -1953.947 where: short stacking energy: -807.119 Base-Backbone interact. energy: -4.627 local terms energy: -798.888433 where: bonds (distance) C4'-P energy: -132.325 bonds (distance) P-C4' energy: -146.409 flat angles C4'-P-C4' energy: -167.118 flat angles P-C4'-P energy: -104.783 tors. eta vs tors. theta energy: -248.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2625.807446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.807446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.807446 (E_RNA) where: Base-Base interactions energy: -1830.771 where: short stacking energy: -753.837 Base-Backbone interact. energy: 0.024 local terms energy: -795.060389 where: bonds (distance) C4'-P energy: -134.760 bonds (distance) P-C4' energy: -149.723 flat angles C4'-P-C4' energy: -172.868 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -222.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2469.817949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.817949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.817949 (E_RNA) where: Base-Base interactions energy: -1751.484 where: short stacking energy: -727.228 Base-Backbone interact. energy: -0.611 local terms energy: -717.723054 where: bonds (distance) C4'-P energy: -126.362 bonds (distance) P-C4' energy: -125.519 flat angles C4'-P-C4' energy: -164.574 flat angles P-C4'-P energy: -102.758 tors. eta vs tors. theta energy: -198.510 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: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2293.420515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.420515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.420515 (E_RNA) where: Base-Base interactions energy: -1564.018 where: short stacking energy: -677.507 Base-Backbone interact. energy: -3.376 local terms energy: -726.026803 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -130.567 flat angles C4'-P-C4' energy: -158.624 flat angles P-C4'-P energy: -112.549 tors. eta vs tors. theta energy: -181.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2157.303974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.303974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.303974 (E_RNA) where: Base-Base interactions energy: -1469.809 where: short stacking energy: -626.438 Base-Backbone interact. energy: -3.759 local terms energy: -683.736004 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -137.384 flat angles P-C4'-P energy: -98.397 tors. eta vs tors. theta energy: -187.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1987.574070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.574070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.574070 (E_RNA) where: Base-Base interactions energy: -1364.687 where: short stacking energy: -586.601 Base-Backbone interact. energy: -2.316 local terms energy: -620.570635 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -137.328 flat angles C4'-P-C4' energy: -129.560 flat angles P-C4'-P energy: -84.674 tors. eta vs tors. theta energy: -140.422 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1714.944863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.944863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.944863 (E_RNA) where: Base-Base interactions energy: -1122.306 where: short stacking energy: -513.311 Base-Backbone interact. energy: 0.549 local terms energy: -593.187834 where: bonds (distance) C4'-P energy: -119.327 bonds (distance) P-C4' energy: -138.851 flat angles C4'-P-C4' energy: -128.098 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -135.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1593.783117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.783117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.783117 (E_RNA) where: Base-Base interactions energy: -1036.893 where: short stacking energy: -424.418 Base-Backbone interact. energy: -3.013 local terms energy: -553.877114 where: bonds (distance) C4'-P energy: -113.122 bonds (distance) P-C4' energy: -138.621 flat angles C4'-P-C4' energy: -122.649 flat angles P-C4'-P energy: -95.803 tors. eta vs tors. theta energy: -83.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1124.627639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.627639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.627639 (E_RNA) where: Base-Base interactions energy: -646.643 where: short stacking energy: -304.550 Base-Backbone interact. energy: -1.097 local terms energy: -476.887407 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -118.682 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -38.933 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: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1090.886367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.886367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.886367 (E_RNA) where: Base-Base interactions energy: -623.856 where: short stacking energy: -309.860 Base-Backbone interact. energy: 7.733 local terms energy: -474.762761 where: bonds (distance) C4'-P energy: -123.921 bonds (distance) P-C4' energy: -124.681 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -37.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2770.769392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.769392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.769392 (E_RNA) where: Base-Base interactions energy: -1928.851 where: short stacking energy: -805.216 Base-Backbone interact. energy: -2.113 local terms energy: -839.805511 where: bonds (distance) C4'-P energy: -149.186 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -168.972 flat angles P-C4'-P energy: -120.724 tors. eta vs tors. theta energy: -250.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2627.970996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.970996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.970996 (E_RNA) where: Base-Base interactions energy: -1816.036 where: short stacking energy: -780.618 Base-Backbone interact. energy: -4.296 local terms energy: -807.639050 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -146.916 flat angles C4'-P-C4' energy: -180.956 flat angles P-C4'-P energy: -104.820 tors. eta vs tors. theta energy: -226.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2503.343490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.343490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.343490 (E_RNA) where: Base-Base interactions energy: -1765.385 where: short stacking energy: -731.253 Base-Backbone interact. energy: -3.472 local terms energy: -734.486492 where: bonds (distance) C4'-P energy: -142.207 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -153.089 flat angles P-C4'-P energy: -110.148 tors. eta vs tors. theta energy: -179.732 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: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2297.997730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.997730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.997730 (E_RNA) where: Base-Base interactions energy: -1591.889 where: short stacking energy: -683.849 Base-Backbone interact. energy: -1.223 local terms energy: -704.885508 where: bonds (distance) C4'-P energy: -132.610 bonds (distance) P-C4' energy: -116.089 flat angles C4'-P-C4' energy: -146.296 flat angles P-C4'-P energy: -116.482 tors. eta vs tors. theta energy: -193.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2193.590828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.590828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.590828 (E_RNA) where: Base-Base interactions energy: -1485.302 where: short stacking energy: -654.773 Base-Backbone interact. energy: -1.571 local terms energy: -706.717530 where: bonds (distance) C4'-P energy: -128.623 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -152.302 flat angles P-C4'-P energy: -105.471 tors. eta vs tors. theta energy: -193.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1996.243042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.243042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.243042 (E_RNA) where: Base-Base interactions energy: -1371.598 where: short stacking energy: -606.336 Base-Backbone interact. energy: 1.776 local terms energy: -626.421001 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -116.363 flat angles C4'-P-C4' energy: -129.619 flat angles P-C4'-P energy: -92.652 tors. eta vs tors. theta energy: -160.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1801.797775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.797775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.797775 (E_RNA) where: Base-Base interactions energy: -1179.371 where: short stacking energy: -542.781 Base-Backbone interact. energy: 6.092 local terms energy: -628.519097 where: bonds (distance) C4'-P energy: -131.022 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -158.463 flat angles P-C4'-P energy: -77.763 tors. eta vs tors. theta energy: -131.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1610.915892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.915892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.915892 (E_RNA) where: Base-Base interactions energy: -1056.851 where: short stacking energy: -487.615 Base-Backbone interact. energy: -0.466 local terms energy: -553.598376 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -136.561 flat angles C4'-P-C4' energy: -137.000 flat angles P-C4'-P energy: -78.930 tors. eta vs tors. theta energy: -81.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1132.636382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.636382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.636382 (E_RNA) where: Base-Base interactions energy: -686.810 where: short stacking energy: -332.274 Base-Backbone interact. energy: -0.938 local terms energy: -444.887798 where: bonds (distance) C4'-P energy: -100.783 bonds (distance) P-C4' energy: -128.350 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -42.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1087.913448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.913448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.913448 (E_RNA) where: Base-Base interactions energy: -634.452 where: short stacking energy: -315.138 Base-Backbone interact. energy: 3.657 local terms energy: -457.117825 where: bonds (distance) C4'-P energy: -116.881 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -109.557 flat angles P-C4'-P energy: -77.980 tors. eta vs tors. theta energy: -32.826 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: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2784.969770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.969770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.969770 (E_RNA) where: Base-Base interactions energy: -1943.362 where: short stacking energy: -806.936 Base-Backbone interact. energy: -2.937 local terms energy: -838.670743 where: bonds (distance) C4'-P energy: -141.753 bonds (distance) P-C4' energy: -163.306 flat angles C4'-P-C4' energy: -170.320 flat angles P-C4'-P energy: -116.471 tors. eta vs tors. theta energy: -246.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2620.036783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.036783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.036783 (E_RNA) where: Base-Base interactions energy: -1812.766 where: short stacking energy: -737.963 Base-Backbone interact. energy: -0.567 local terms energy: -806.704245 where: bonds (distance) C4'-P energy: -146.267 bonds (distance) P-C4' energy: -150.021 flat angles C4'-P-C4' energy: -170.552 flat angles P-C4'-P energy: -117.145 tors. eta vs tors. theta energy: -222.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2527.053375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.053375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.053375 (E_RNA) where: Base-Base interactions energy: -1760.517 where: short stacking energy: -695.264 Base-Backbone interact. energy: -2.855 local terms energy: -763.681292 where: bonds (distance) C4'-P energy: -142.354 bonds (distance) P-C4' energy: -153.429 flat angles C4'-P-C4' energy: -165.879 flat angles P-C4'-P energy: -103.476 tors. eta vs tors. theta energy: -198.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2307.472188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.472188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.472188 (E_RNA) where: Base-Base interactions energy: -1585.584 where: short stacking energy: -699.787 Base-Backbone interact. energy: -2.614 local terms energy: -719.274792 where: bonds (distance) C4'-P energy: -112.591 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -159.622 flat angles P-C4'-P energy: -97.492 tors. eta vs tors. theta energy: -203.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2180.918449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.918449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.918449 (E_RNA) where: Base-Base interactions energy: -1474.639 where: short stacking energy: -641.436 Base-Backbone interact. energy: -4.165 local terms energy: -702.114691 where: bonds (distance) C4'-P energy: -140.657 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -174.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2027.722311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.722311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.722311 (E_RNA) where: Base-Base interactions energy: -1390.253 where: short stacking energy: -594.693 Base-Backbone interact. energy: 0.565 local terms energy: -638.034391 where: bonds (distance) C4'-P energy: -138.081 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -143.817 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -155.946 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1704.980572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.980572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.980572 (E_RNA) where: Base-Base interactions energy: -1129.621 where: short stacking energy: -518.429 Base-Backbone interact. energy: 4.910 local terms energy: -580.270212 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -142.354 flat angles P-C4'-P energy: -87.010 tors. eta vs tors. theta energy: -129.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1537.544654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.544654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.544654 (E_RNA) where: Base-Base interactions energy: -998.031 where: short stacking energy: -456.093 Base-Backbone interact. energy: 2.250 local terms energy: -541.763701 where: bonds (distance) C4'-P energy: -128.157 bonds (distance) P-C4' energy: -117.647 flat angles C4'-P-C4' energy: -121.740 flat angles P-C4'-P energy: -82.282 tors. eta vs tors. theta energy: -91.938 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: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1126.799388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.799388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.799388 (E_RNA) where: Base-Base interactions energy: -653.273 where: short stacking energy: -319.509 Base-Backbone interact. energy: 3.512 local terms energy: -477.038690 where: bonds (distance) C4'-P energy: -114.101 bonds (distance) P-C4' energy: -97.438 flat angles C4'-P-C4' energy: -134.586 flat angles P-C4'-P energy: -88.648 tors. eta vs tors. theta energy: -42.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1122.314912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.314912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.314912 (E_RNA) where: Base-Base interactions energy: -644.321 where: short stacking energy: -340.733 Base-Backbone interact. energy: 2.710 local terms energy: -480.703391 where: bonds (distance) C4'-P energy: -128.019 bonds (distance) P-C4' energy: -109.446 flat angles C4'-P-C4' energy: -124.626 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -55.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2779.666457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.666457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.666457 (E_RNA) where: Base-Base interactions energy: -1963.135 where: short stacking energy: -816.227 Base-Backbone interact. energy: -0.199 local terms energy: -816.333079 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -145.617 flat angles C4'-P-C4' energy: -171.210 flat angles P-C4'-P energy: -118.093 tors. eta vs tors. theta energy: -243.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2588.207936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.207936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.207936 (E_RNA) where: Base-Base interactions energy: -1811.993 where: short stacking energy: -737.451 Base-Backbone interact. energy: 0.032 local terms energy: -776.247223 where: bonds (distance) C4'-P energy: -150.833 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -168.745 flat angles P-C4'-P energy: -112.263 tors. eta vs tors. theta energy: -216.302 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: 459 Temperature: 1.000000 Total energy: -2508.384839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.384839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.384839 (E_RNA) where: Base-Base interactions energy: -1771.950 where: short stacking energy: -710.402 Base-Backbone interact. energy: -0.593 local terms energy: -735.842568 where: bonds (distance) C4'-P energy: -141.892 bonds (distance) P-C4' energy: -147.732 flat angles C4'-P-C4' energy: -143.788 flat angles P-C4'-P energy: -107.373 tors. eta vs tors. theta energy: -195.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2351.046117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.046117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.046117 (E_RNA) where: Base-Base interactions energy: -1631.558 where: short stacking energy: -705.114 Base-Backbone interact. energy: -0.582 local terms energy: -718.906457 where: bonds (distance) C4'-P energy: -131.116 bonds (distance) P-C4' energy: -132.290 flat angles C4'-P-C4' energy: -156.092 flat angles P-C4'-P energy: -93.392 tors. eta vs tors. theta energy: -206.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2165.818027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.818027 (E_RNA) where: Base-Base interactions energy: -1478.110 where: short stacking energy: -635.697 Base-Backbone interact. energy: -1.676 local terms energy: -686.031993 where: bonds (distance) C4'-P energy: -125.852 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -157.853 flat angles P-C4'-P energy: -99.078 tors. eta vs tors. theta energy: -168.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2004.357647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.357647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.357647 (E_RNA) where: Base-Base interactions energy: -1369.072 where: short stacking energy: -596.463 Base-Backbone interact. energy: 1.050 local terms energy: -636.335095 where: bonds (distance) C4'-P energy: -121.417 bonds (distance) P-C4' energy: -134.230 flat angles C4'-P-C4' energy: -134.422 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -152.032 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: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1713.867232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.867232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.867232 (E_RNA) where: Base-Base interactions energy: -1120.700 where: short stacking energy: -507.060 Base-Backbone interact. energy: -3.141 local terms energy: -590.025989 where: bonds (distance) C4'-P energy: -112.196 bonds (distance) P-C4' energy: -138.399 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -85.297 tors. eta vs tors. theta energy: -139.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1638.661427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.661427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.661427 (E_RNA) where: Base-Base interactions energy: -1062.929 where: short stacking energy: -477.705 Base-Backbone interact. energy: 0.040 local terms energy: -575.772300 where: bonds (distance) C4'-P energy: -113.405 bonds (distance) P-C4' energy: -150.662 flat angles C4'-P-C4' energy: -136.134 flat angles P-C4'-P energy: -80.214 tors. eta vs tors. theta energy: -95.357 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: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1148.474612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.474612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.474612 (E_RNA) where: Base-Base interactions energy: -685.507 where: short stacking energy: -340.863 Base-Backbone interact. energy: -0.062 local terms energy: -462.905014 where: bonds (distance) C4'-P energy: -117.155 bonds (distance) P-C4' energy: -132.577 flat angles C4'-P-C4' energy: -109.821 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -44.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1061.134664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.134664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.134664 (E_RNA) where: Base-Base interactions energy: -618.931 where: short stacking energy: -332.063 Base-Backbone interact. energy: -1.061 local terms energy: -441.142415 where: bonds (distance) C4'-P energy: -97.953 bonds (distance) P-C4' energy: -109.200 flat angles C4'-P-C4' energy: -133.706 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -34.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2760.348336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.348336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.348336 (E_RNA) where: Base-Base interactions energy: -1951.952 where: short stacking energy: -823.414 Base-Backbone interact. energy: -2.795 local terms energy: -805.601600 where: bonds (distance) C4'-P energy: -141.553 bonds (distance) P-C4' energy: -146.623 flat angles C4'-P-C4' energy: -164.278 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -246.707 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: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2568.518333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.518333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.518333 (E_RNA) where: Base-Base interactions energy: -1802.445 where: short stacking energy: -716.635 Base-Backbone interact. energy: -2.087 local terms energy: -763.985906 where: bonds (distance) C4'-P energy: -127.492 bonds (distance) P-C4' energy: -159.649 flat angles C4'-P-C4' energy: -173.416 flat angles P-C4'-P energy: -101.257 tors. eta vs tors. theta energy: -202.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2538.725968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.725968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.725968 (E_RNA) where: Base-Base interactions energy: -1799.635 where: short stacking energy: -715.681 Base-Backbone interact. energy: -2.196 local terms energy: -736.894866 where: bonds (distance) C4'-P energy: -133.051 bonds (distance) P-C4' energy: -125.450 flat angles C4'-P-C4' energy: -165.922 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -202.114 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: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2363.170042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.170042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.170042 (E_RNA) where: Base-Base interactions energy: -1604.245 where: short stacking energy: -706.317 Base-Backbone interact. energy: -2.731 local terms energy: -756.193801 where: bonds (distance) C4'-P energy: -124.577 bonds (distance) P-C4' energy: -136.404 flat angles C4'-P-C4' energy: -161.777 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -221.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2162.445150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.445150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.445150 (E_RNA) where: Base-Base interactions energy: -1499.341 where: short stacking energy: -627.458 Base-Backbone interact. energy: 0.028 local terms energy: -663.131929 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -130.648 flat angles C4'-P-C4' energy: -137.578 flat angles P-C4'-P energy: -104.632 tors. eta vs tors. theta energy: -166.934 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: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2021.129159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.129159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.129159 (E_RNA) where: Base-Base interactions energy: -1401.159 where: short stacking energy: -587.974 Base-Backbone interact. energy: -2.121 local terms energy: -617.849330 where: bonds (distance) C4'-P energy: -105.574 bonds (distance) P-C4' energy: -133.523 flat angles C4'-P-C4' energy: -140.755 flat angles P-C4'-P energy: -81.540 tors. eta vs tors. theta energy: -156.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1626.153505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.153505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.153505 (E_RNA) where: Base-Base interactions energy: -1067.480 where: short stacking energy: -471.644 Base-Backbone interact. energy: -0.294 local terms energy: -558.379393 where: bonds (distance) C4'-P energy: -113.424 bonds (distance) P-C4' energy: -120.773 flat angles C4'-P-C4' energy: -126.029 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -105.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1578.200928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.200928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.200928 (E_RNA) where: Base-Base interactions energy: -1039.627 where: short stacking energy: -447.583 Base-Backbone interact. energy: -3.116 local terms energy: -535.457308 where: bonds (distance) C4'-P energy: -117.335 bonds (distance) P-C4' energy: -122.557 flat angles C4'-P-C4' energy: -121.053 flat angles P-C4'-P energy: -86.343 tors. eta vs tors. theta energy: -88.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1082.578777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.578777 (E_RNA) where: Base-Base interactions energy: -644.016 where: short stacking energy: -316.466 Base-Backbone interact. energy: -0.706 local terms energy: -437.856496 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -113.219 flat angles C4'-P-C4' energy: -114.039 flat angles P-C4'-P energy: -68.541 tors. eta vs tors. theta energy: -36.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -998.593365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.593365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.593365 (E_RNA) where: Base-Base interactions energy: -521.759 where: short stacking energy: -278.461 Base-Backbone interact. energy: 3.064 local terms energy: -479.898586 where: bonds (distance) C4'-P energy: -123.520 bonds (distance) P-C4' energy: -125.408 flat angles C4'-P-C4' energy: -123.349 flat angles P-C4'-P energy: -61.520 tors. eta vs tors. theta energy: -46.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2742.370893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.370893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.370893 (E_RNA) where: Base-Base interactions energy: -1909.614 where: short stacking energy: -793.786 Base-Backbone interact. energy: -1.905 local terms energy: -830.851592 where: bonds (distance) C4'-P energy: -150.081 bonds (distance) P-C4' energy: -147.257 flat angles C4'-P-C4' energy: -181.921 flat angles P-C4'-P energy: -122.817 tors. eta vs tors. theta energy: -228.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2577.191902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.191902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.191902 (E_RNA) where: Base-Base interactions energy: -1814.593 where: short stacking energy: -740.188 Base-Backbone interact. energy: -2.851 local terms energy: -759.747976 where: bonds (distance) C4'-P energy: -136.419 bonds (distance) P-C4' energy: -155.108 flat angles C4'-P-C4' energy: -161.787 flat angles P-C4'-P energy: -100.488 tors. eta vs tors. theta energy: -205.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2521.642560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.642560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.642560 (E_RNA) where: Base-Base interactions energy: -1746.906 where: short stacking energy: -746.321 Base-Backbone interact. energy: -0.818 local terms energy: -773.917660 where: bonds (distance) C4'-P energy: -133.528 bonds (distance) P-C4' energy: -145.821 flat angles C4'-P-C4' energy: -163.355 flat angles P-C4'-P energy: -111.819 tors. eta vs tors. theta energy: -219.395 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: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2374.668362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.668362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.668362 (E_RNA) where: Base-Base interactions energy: -1630.670 where: short stacking energy: -714.183 Base-Backbone interact. energy: -1.953 local terms energy: -742.044697 where: bonds (distance) C4'-P energy: -117.756 bonds (distance) P-C4' energy: -162.586 flat angles C4'-P-C4' energy: -158.944 flat angles P-C4'-P energy: -106.993 tors. eta vs tors. theta energy: -195.766 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: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2175.204673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.204673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.204673 (E_RNA) where: Base-Base interactions energy: -1483.518 where: short stacking energy: -601.720 Base-Backbone interact. energy: 2.306 local terms energy: -693.993197 where: bonds (distance) C4'-P energy: -138.007 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -161.130 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -158.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2039.226557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.226557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.226557 (E_RNA) where: Base-Base interactions energy: -1384.008 where: short stacking energy: -604.525 Base-Backbone interact. energy: -1.764 local terms energy: -653.453980 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -136.321 flat angles C4'-P-C4' energy: -141.542 flat angles P-C4'-P energy: -102.528 tors. eta vs tors. theta energy: -145.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1683.761109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.761109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.761109 (E_RNA) where: Base-Base interactions energy: -1102.879 where: short stacking energy: -476.844 Base-Backbone interact. energy: 2.245 local terms energy: -583.126970 where: bonds (distance) C4'-P energy: -128.275 bonds (distance) P-C4' energy: -128.172 flat angles C4'-P-C4' energy: -139.275 flat angles P-C4'-P energy: -81.916 tors. eta vs tors. theta energy: -105.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1580.570506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.570506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.570506 (E_RNA) where: Base-Base interactions energy: -1021.801 where: short stacking energy: -447.490 Base-Backbone interact. energy: 3.119 local terms energy: -561.888147 where: bonds (distance) C4'-P energy: -123.687 bonds (distance) P-C4' energy: -127.968 flat angles C4'-P-C4' energy: -121.313 flat angles P-C4'-P energy: -84.106 tors. eta vs tors. theta energy: -104.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1137.350678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.350678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.350678 (E_RNA) where: Base-Base interactions energy: -672.085 where: short stacking energy: -361.067 Base-Backbone interact. energy: -1.890 local terms energy: -463.375281 where: bonds (distance) C4'-P energy: -131.602 bonds (distance) P-C4' energy: -109.568 flat angles C4'-P-C4' energy: -108.349 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -40.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1008.453392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.453392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.453392 (E_RNA) where: Base-Base interactions energy: -562.965 where: short stacking energy: -266.982 Base-Backbone interact. energy: 1.881 local terms energy: -447.369621 where: bonds (distance) C4'-P energy: -125.446 bonds (distance) P-C4' energy: -121.090 flat angles C4'-P-C4' energy: -126.806 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -14.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2755.132934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.132934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.132934 (E_RNA) where: Base-Base interactions energy: -1937.675 where: short stacking energy: -830.972 Base-Backbone interact. energy: -1.576 local terms energy: -815.882020 where: bonds (distance) C4'-P energy: -151.093 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -172.868 flat angles P-C4'-P energy: -115.555 tors. eta vs tors. theta energy: -239.413 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: 462 Temperature: 0.950000 Total energy: -2593.768986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.768986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.768986 (E_RNA) where: Base-Base interactions energy: -1854.424 where: short stacking energy: -745.080 Base-Backbone interact. energy: 1.805 local terms energy: -741.149354 where: bonds (distance) C4'-P energy: -132.119 bonds (distance) P-C4' energy: -130.432 flat angles C4'-P-C4' energy: -166.433 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -206.794 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: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2526.827381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.827381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.827381 (E_RNA) where: Base-Base interactions energy: -1751.932 where: short stacking energy: -726.832 Base-Backbone interact. energy: 0.145 local terms energy: -775.039736 where: bonds (distance) C4'-P energy: -146.003 bonds (distance) P-C4' energy: -142.415 flat angles C4'-P-C4' energy: -174.088 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -212.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2356.485383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.485383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.485383 (E_RNA) where: Base-Base interactions energy: -1616.976 where: short stacking energy: -679.960 Base-Backbone interact. energy: 0.441 local terms energy: -739.949766 where: bonds (distance) C4'-P energy: -139.770 bonds (distance) P-C4' energy: -140.495 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -98.009 tors. eta vs tors. theta energy: -204.392 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: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2190.615175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.615175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.615175 (E_RNA) where: Base-Base interactions energy: -1513.460 where: short stacking energy: -633.128 Base-Backbone interact. energy: 3.784 local terms energy: -680.939474 where: bonds (distance) C4'-P energy: -119.863 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -158.515 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -180.087 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: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2019.692607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.692607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.692607 (E_RNA) where: Base-Base interactions energy: -1399.775 where: short stacking energy: -583.772 Base-Backbone interact. energy: -3.071 local terms energy: -616.846827 where: bonds (distance) C4'-P energy: -119.933 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -131.157 flat angles P-C4'-P energy: -90.153 tors. eta vs tors. theta energy: -150.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1669.243913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.243913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.243913 (E_RNA) where: Base-Base interactions energy: -1098.339 where: short stacking energy: -477.961 Base-Backbone interact. energy: -0.400 local terms energy: -570.504779 where: bonds (distance) C4'-P energy: -116.463 bonds (distance) P-C4' energy: -123.006 flat angles C4'-P-C4' energy: -147.965 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -103.302 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: 462 Temperature: 1.250000 Total energy: -1557.914616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.914616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.914616 (E_RNA) where: Base-Base interactions energy: -1028.880 where: short stacking energy: -450.129 Base-Backbone interact. energy: -0.926 local terms energy: -528.108359 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -116.352 flat angles C4'-P-C4' energy: -118.182 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -95.335 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: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1149.565738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.565738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.565738 (E_RNA) where: Base-Base interactions energy: -684.313 where: short stacking energy: -308.750 Base-Backbone interact. energy: -1.310 local terms energy: -463.943090 where: bonds (distance) C4'-P energy: -98.253 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -105.706 flat angles P-C4'-P energy: -74.212 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: 462 Temperature: 1.350000 Total energy: -961.707327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.707327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.707327 (E_RNA) where: Base-Base interactions energy: -495.876 where: short stacking energy: -251.299 Base-Backbone interact. energy: -0.246 local terms energy: -465.584702 where: bonds (distance) C4'-P energy: -130.955 bonds (distance) P-C4' energy: -123.492 flat angles C4'-P-C4' energy: -111.286 flat angles P-C4'-P energy: -65.328 tors. eta vs tors. theta energy: -34.525 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: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2781.105948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.105948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.105948 (E_RNA) where: Base-Base interactions energy: -1972.236 where: short stacking energy: -848.534 Base-Backbone interact. energy: -2.663 local terms energy: -806.206190 where: bonds (distance) C4'-P energy: -133.798 bonds (distance) P-C4' energy: -140.538 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -120.677 tors. eta vs tors. theta energy: -236.105 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: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2620.656203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.656203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.656203 (E_RNA) where: Base-Base interactions energy: -1848.616 where: short stacking energy: -756.643 Base-Backbone interact. energy: -4.233 local terms energy: -767.806729 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -167.428 flat angles P-C4'-P energy: -107.496 tors. eta vs tors. theta energy: -198.149 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: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2515.164488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.164488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.164488 (E_RNA) where: Base-Base interactions energy: -1771.083 where: short stacking energy: -716.247 Base-Backbone interact. energy: -1.360 local terms energy: -742.720777 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -131.472 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -120.937 tors. eta vs tors. theta energy: -206.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2382.661391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.661391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.661391 (E_RNA) where: Base-Base interactions energy: -1639.310 where: short stacking energy: -719.837 Base-Backbone interact. energy: -2.793 local terms energy: -740.558437 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -157.764 flat angles P-C4'-P energy: -110.067 tors. eta vs tors. theta energy: -202.872 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: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2227.283214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.283214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.283214 (E_RNA) where: Base-Base interactions energy: -1504.692 where: short stacking energy: -652.157 Base-Backbone interact. energy: -0.777 local terms energy: -721.814041 where: bonds (distance) C4'-P energy: -136.497 bonds (distance) P-C4' energy: -135.270 flat angles C4'-P-C4' energy: -144.525 flat angles P-C4'-P energy: -119.147 tors. eta vs tors. theta energy: -186.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2091.402733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.402733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.402733 (E_RNA) where: Base-Base interactions energy: -1449.919 where: short stacking energy: -608.602 Base-Backbone interact. energy: 3.215 local terms energy: -644.698407 where: bonds (distance) C4'-P energy: -117.154 bonds (distance) P-C4' energy: -127.497 flat angles C4'-P-C4' energy: -152.354 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -169.648 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1694.965101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.965101 (E_RNA) where: Base-Base interactions energy: -1089.627 where: short stacking energy: -494.345 Base-Backbone interact. energy: -2.713 local terms energy: -602.624589 where: bonds (distance) C4'-P energy: -118.896 bonds (distance) P-C4' energy: -132.985 flat angles C4'-P-C4' energy: -137.369 flat angles P-C4'-P energy: -100.719 tors. eta vs tors. theta energy: -112.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1516.460312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.460312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.460312 (E_RNA) where: Base-Base interactions energy: -961.315 where: short stacking energy: -444.419 Base-Backbone interact. energy: -0.932 local terms energy: -554.213731 where: bonds (distance) C4'-P energy: -121.727 bonds (distance) P-C4' energy: -116.134 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -59.841 tors. eta vs tors. theta energy: -111.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1257.168095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.168095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.168095 (E_RNA) where: Base-Base interactions energy: -809.181 where: short stacking energy: -321.060 Base-Backbone interact. energy: -2.625 local terms energy: -445.362544 where: bonds (distance) C4'-P energy: -109.592 bonds (distance) P-C4' energy: -109.904 flat angles C4'-P-C4' energy: -113.193 flat angles P-C4'-P energy: -68.381 tors. eta vs tors. theta energy: -44.292 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: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -987.569453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.569453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.569453 (E_RNA) where: Base-Base interactions energy: -559.347 where: short stacking energy: -302.950 Base-Backbone interact. energy: -2.770 local terms energy: -425.452238 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -133.835 flat angles C4'-P-C4' energy: -89.472 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -45.796 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: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2753.664964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.664964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.664964 (E_RNA) where: Base-Base interactions energy: -1916.690 where: short stacking energy: -821.107 Base-Backbone interact. energy: 3.559 local terms energy: -840.533004 where: bonds (distance) C4'-P energy: -144.738 bonds (distance) P-C4' energy: -153.658 flat angles C4'-P-C4' energy: -180.144 flat angles P-C4'-P energy: -122.370 tors. eta vs tors. theta energy: -239.623 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: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2595.896660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.896660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.896660 (E_RNA) where: Base-Base interactions energy: -1840.040 where: short stacking energy: -763.048 Base-Backbone interact. energy: 1.874 local terms energy: -757.730961 where: bonds (distance) C4'-P energy: -149.294 bonds (distance) P-C4' energy: -144.888 flat angles C4'-P-C4' energy: -161.941 flat angles P-C4'-P energy: -96.172 tors. eta vs tors. theta energy: -205.436 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: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2533.103255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.103255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.103255 (E_RNA) where: Base-Base interactions energy: -1800.146 where: short stacking energy: -738.020 Base-Backbone interact. energy: -2.191 local terms energy: -730.766148 where: bonds (distance) C4'-P energy: -135.263 bonds (distance) P-C4' energy: -121.840 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -113.692 tors. eta vs tors. theta energy: -204.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2336.667852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.667852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.667852 (E_RNA) where: Base-Base interactions energy: -1586.848 where: short stacking energy: -689.331 Base-Backbone interact. energy: -0.149 local terms energy: -749.671023 where: bonds (distance) C4'-P energy: -125.601 bonds (distance) P-C4' energy: -154.029 flat angles C4'-P-C4' energy: -172.375 flat angles P-C4'-P energy: -98.707 tors. eta vs tors. theta energy: -198.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2264.801222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.801222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.801222 (E_RNA) where: Base-Base interactions energy: -1550.224 where: short stacking energy: -664.251 Base-Backbone interact. energy: 1.172 local terms energy: -715.749038 where: bonds (distance) C4'-P energy: -138.864 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -144.303 flat angles P-C4'-P energy: -100.999 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: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2106.237526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.237526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.237526 (E_RNA) where: Base-Base interactions energy: -1443.892 where: short stacking energy: -623.737 Base-Backbone interact. energy: -0.944 local terms energy: -661.401006 where: bonds (distance) C4'-P energy: -126.304 bonds (distance) P-C4' energy: -128.518 flat angles C4'-P-C4' energy: -144.012 flat angles P-C4'-P energy: -101.538 tors. eta vs tors. theta energy: -161.029 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: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1685.232892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.232892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.232892 (E_RNA) where: Base-Base interactions energy: -1136.466 where: short stacking energy: -499.919 Base-Backbone interact. energy: -1.398 local terms energy: -547.368332 where: bonds (distance) C4'-P energy: -126.752 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -121.390 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: -113.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1567.112614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.112614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.112614 (E_RNA) where: Base-Base interactions energy: -999.767 where: short stacking energy: -467.856 Base-Backbone interact. energy: -2.222 local terms energy: -565.123784 where: bonds (distance) C4'-P energy: -135.217 bonds (distance) P-C4' energy: -121.767 flat angles C4'-P-C4' energy: -118.298 flat angles P-C4'-P energy: -94.068 tors. eta vs tors. theta energy: -95.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1277.763605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.763605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.763605 (E_RNA) where: Base-Base interactions energy: -827.304 where: short stacking energy: -383.278 Base-Backbone interact. energy: 0.402 local terms energy: -450.861444 where: bonds (distance) C4'-P energy: -104.666 bonds (distance) P-C4' energy: -109.286 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -59.071 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -969.508145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.508145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.508145 (E_RNA) where: Base-Base interactions energy: -540.105 where: short stacking energy: -285.116 Base-Backbone interact. energy: -1.306 local terms energy: -428.097593 where: bonds (distance) C4'-P energy: -112.457 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -101.335 flat angles P-C4'-P energy: -65.836 tors. eta vs tors. theta energy: -30.693 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: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2757.137752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.137752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.137752 (E_RNA) where: Base-Base interactions energy: -1928.536 where: short stacking energy: -821.681 Base-Backbone interact. energy: -5.304 local terms energy: -823.298295 where: bonds (distance) C4'-P energy: -155.057 bonds (distance) P-C4' energy: -156.425 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -107.832 tors. eta vs tors. theta energy: -241.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2564.126149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.126149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.126149 (E_RNA) where: Base-Base interactions energy: -1780.297 where: short stacking energy: -719.995 Base-Backbone interact. energy: -5.421 local terms energy: -778.407952 where: bonds (distance) C4'-P energy: -133.901 bonds (distance) P-C4' energy: -143.819 flat angles C4'-P-C4' energy: -165.376 flat angles P-C4'-P energy: -122.542 tors. eta vs tors. theta energy: -212.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2537.517195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.517195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.517195 (E_RNA) where: Base-Base interactions energy: -1770.513 where: short stacking energy: -732.763 Base-Backbone interact. energy: 0.604 local terms energy: -767.607730 where: bonds (distance) C4'-P energy: -146.401 bonds (distance) P-C4' energy: -119.280 flat angles C4'-P-C4' energy: -187.219 flat angles P-C4'-P energy: -112.474 tors. eta vs tors. theta energy: -202.233 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: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2383.065295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.065295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.065295 (E_RNA) where: Base-Base interactions energy: -1628.975 where: short stacking energy: -685.603 Base-Backbone interact. energy: -0.121 local terms energy: -753.969432 where: bonds (distance) C4'-P energy: -153.948 bonds (distance) P-C4' energy: -139.827 flat angles C4'-P-C4' energy: -158.494 flat angles P-C4'-P energy: -92.668 tors. eta vs tors. theta energy: -209.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2248.956585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.956585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.956585 (E_RNA) where: Base-Base interactions energy: -1587.328 where: short stacking energy: -657.095 Base-Backbone interact. energy: -2.024 local terms energy: -659.604051 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -116.246 flat angles C4'-P-C4' energy: -153.026 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -181.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2079.685724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.685724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.685724 (E_RNA) where: Base-Base interactions energy: -1441.959 where: short stacking energy: -614.260 Base-Backbone interact. energy: -3.186 local terms energy: -634.540838 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -117.711 flat angles C4'-P-C4' energy: -147.727 flat angles P-C4'-P energy: -91.964 tors. eta vs tors. theta energy: -158.449 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: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1730.774198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.774198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.774198 (E_RNA) where: Base-Base interactions energy: -1158.126 where: short stacking energy: -499.241 Base-Backbone interact. energy: -4.151 local terms energy: -568.497368 where: bonds (distance) C4'-P energy: -126.930 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -114.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1506.169492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.169492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.169492 (E_RNA) where: Base-Base interactions energy: -975.746 where: short stacking energy: -421.843 Base-Backbone interact. energy: 1.161 local terms energy: -531.584238 where: bonds (distance) C4'-P energy: -109.180 bonds (distance) P-C4' energy: -124.684 flat angles C4'-P-C4' energy: -115.762 flat angles P-C4'-P energy: -89.070 tors. eta vs tors. theta energy: -92.888 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: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1305.898187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.898187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.898187 (E_RNA) where: Base-Base interactions energy: -820.020 where: short stacking energy: -354.231 Base-Backbone interact. energy: -4.280 local terms energy: -481.597860 where: bonds (distance) C4'-P energy: -93.114 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -124.150 flat angles P-C4'-P energy: -78.070 tors. eta vs tors. theta energy: -62.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1035.282160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.282160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.282160 (E_RNA) where: Base-Base interactions energy: -592.943 where: short stacking energy: -315.143 Base-Backbone interact. energy: -0.047 local terms energy: -442.291424 where: bonds (distance) C4'-P energy: -112.487 bonds (distance) P-C4' energy: -116.080 flat angles C4'-P-C4' energy: -109.635 flat angles P-C4'-P energy: -57.943 tors. eta vs tors. theta energy: -46.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2753.770401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.770401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.770401 (E_RNA) where: Base-Base interactions energy: -1943.877 where: short stacking energy: -793.174 Base-Backbone interact. energy: -1.762 local terms energy: -808.131494 where: bonds (distance) C4'-P energy: -140.479 bonds (distance) P-C4' energy: -145.790 flat angles C4'-P-C4' energy: -170.909 flat angles P-C4'-P energy: -112.115 tors. eta vs tors. theta energy: -238.838 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: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2547.531360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.531360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.531360 (E_RNA) where: Base-Base interactions energy: -1782.793 where: short stacking energy: -767.789 Base-Backbone interact. energy: 4.962 local terms energy: -769.700071 where: bonds (distance) C4'-P energy: -141.551 bonds (distance) P-C4' energy: -148.809 flat angles C4'-P-C4' energy: -165.580 flat angles P-C4'-P energy: -107.989 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: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2501.081608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.081608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.081608 (E_RNA) where: Base-Base interactions energy: -1770.037 where: short stacking energy: -731.248 Base-Backbone interact. energy: -4.558 local terms energy: -726.486457 where: bonds (distance) C4'-P energy: -121.000 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -149.912 flat angles P-C4'-P energy: -102.474 tors. eta vs tors. theta energy: -204.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2325.262970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.262970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.262970 (E_RNA) where: Base-Base interactions energy: -1608.124 where: short stacking energy: -675.759 Base-Backbone interact. energy: -2.098 local terms energy: -715.041033 where: bonds (distance) C4'-P energy: -126.606 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -166.075 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -197.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2238.753920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.753920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.753920 (E_RNA) where: Base-Base interactions energy: -1521.088 where: short stacking energy: -618.718 Base-Backbone interact. energy: 0.213 local terms energy: -717.878898 where: bonds (distance) C4'-P energy: -135.672 bonds (distance) P-C4' energy: -145.571 flat angles C4'-P-C4' energy: -152.497 flat angles P-C4'-P energy: -108.021 tors. eta vs tors. theta energy: -176.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2112.628783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.628783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.628783 (E_RNA) where: Base-Base interactions energy: -1460.625 where: short stacking energy: -587.925 Base-Backbone interact. energy: -1.981 local terms energy: -650.022820 where: bonds (distance) C4'-P energy: -122.353 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -142.712 flat angles P-C4'-P energy: -91.653 tors. eta vs tors. theta energy: -155.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1798.550565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.550565 (E_RNA) where: Base-Base interactions energy: -1188.268 where: short stacking energy: -543.467 Base-Backbone interact. energy: -5.900 local terms energy: -604.382618 where: bonds (distance) C4'-P energy: -115.000 bonds (distance) P-C4' energy: -126.149 flat angles C4'-P-C4' energy: -133.131 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -140.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1604.367624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.367624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.367624 (E_RNA) where: Base-Base interactions energy: -1026.625 where: short stacking energy: -487.951 Base-Backbone interact. energy: -2.243 local terms energy: -575.500275 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -130.332 flat angles C4'-P-C4' energy: -131.716 flat angles P-C4'-P energy: -89.043 tors. eta vs tors. theta energy: -108.533 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: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1184.976157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.976157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.976157 (E_RNA) where: Base-Base interactions energy: -772.411 where: short stacking energy: -354.921 Base-Backbone interact. energy: 8.194 local terms energy: -420.759403 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -124.757 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: -48.142 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: 466 Temperature: 1.350000 Total energy: -927.278777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.278777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.278777 (E_RNA) where: Base-Base interactions energy: -536.503 where: short stacking energy: -252.965 Base-Backbone interact. energy: -1.967 local terms energy: -388.809276 where: bonds (distance) C4'-P energy: -104.579 bonds (distance) P-C4' energy: -118.355 flat angles C4'-P-C4' energy: -105.039 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -1.457 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: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2764.593566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.593566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.593566 (E_RNA) where: Base-Base interactions energy: -1936.032 where: short stacking energy: -802.030 Base-Backbone interact. energy: 0.904 local terms energy: -829.465409 where: bonds (distance) C4'-P energy: -145.564 bonds (distance) P-C4' energy: -157.588 flat angles C4'-P-C4' energy: -175.592 flat angles P-C4'-P energy: -115.880 tors. eta vs tors. theta energy: -234.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2564.200422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.200422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.200422 (E_RNA) where: Base-Base interactions energy: -1817.068 where: short stacking energy: -740.840 Base-Backbone interact. energy: 2.774 local terms energy: -749.905594 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -167.044 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -198.718 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: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2529.122604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.122604 (E_RNA) where: Base-Base interactions energy: -1774.178 where: short stacking energy: -729.108 Base-Backbone interact. energy: 1.332 local terms energy: -756.276477 where: bonds (distance) C4'-P energy: -134.660 bonds (distance) P-C4' energy: -135.741 flat angles C4'-P-C4' energy: -161.906 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -211.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2303.149794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.149794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.149794 (E_RNA) where: Base-Base interactions energy: -1601.548 where: short stacking energy: -716.136 Base-Backbone interact. energy: -0.492 local terms energy: -701.110623 where: bonds (distance) C4'-P energy: -123.549 bonds (distance) P-C4' energy: -138.870 flat angles C4'-P-C4' energy: -150.402 flat angles P-C4'-P energy: -95.293 tors. eta vs tors. theta energy: -192.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2253.570626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.570626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.570626 (E_RNA) where: Base-Base interactions energy: -1583.707 where: short stacking energy: -647.611 Base-Backbone interact. energy: -1.823 local terms energy: -668.040539 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -161.280 flat angles P-C4'-P energy: -87.315 tors. eta vs tors. theta energy: -177.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2109.637947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.637947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.637947 (E_RNA) where: Base-Base interactions energy: -1469.144 where: short stacking energy: -614.511 Base-Backbone interact. energy: 0.527 local terms energy: -641.020951 where: bonds (distance) C4'-P energy: -109.628 bonds (distance) P-C4' energy: -133.986 flat angles C4'-P-C4' energy: -134.965 flat angles P-C4'-P energy: -103.506 tors. eta vs tors. theta energy: -158.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1802.346003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.346003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.346003 (E_RNA) where: Base-Base interactions energy: -1209.517 where: short stacking energy: -528.830 Base-Backbone interact. energy: 1.575 local terms energy: -594.404318 where: bonds (distance) C4'-P energy: -122.393 bonds (distance) P-C4' energy: -125.855 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -135.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1586.064197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.064197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.064197 (E_RNA) where: Base-Base interactions energy: -1024.590 where: short stacking energy: -449.673 Base-Backbone interact. energy: 1.921 local terms energy: -563.394788 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -117.475 flat angles C4'-P-C4' energy: -135.835 flat angles P-C4'-P energy: -83.443 tors. eta vs tors. theta energy: -108.230 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: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1301.505916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.505916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.505916 (E_RNA) where: Base-Base interactions energy: -826.545 where: short stacking energy: -385.763 Base-Backbone interact. energy: 6.129 local terms energy: -481.089597 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -131.687 flat angles C4'-P-C4' energy: -119.203 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -62.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1039.902864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.902864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.902864 (E_RNA) where: Base-Base interactions energy: -554.792 where: short stacking energy: -287.262 Base-Backbone interact. energy: 1.697 local terms energy: -486.807637 where: bonds (distance) C4'-P energy: -137.995 bonds (distance) P-C4' energy: -137.248 flat angles C4'-P-C4' energy: -103.080 flat angles P-C4'-P energy: -69.059 tors. eta vs tors. theta energy: -39.426 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: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2767.354508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.354508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.354508 (E_RNA) where: Base-Base interactions energy: -1937.847 where: short stacking energy: -793.701 Base-Backbone interact. energy: -2.761 local terms energy: -826.746801 where: bonds (distance) C4'-P energy: -157.818 bonds (distance) P-C4' energy: -155.428 flat angles C4'-P-C4' energy: -168.707 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -235.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2569.390107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.390107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.390107 (E_RNA) where: Base-Base interactions energy: -1805.524 where: short stacking energy: -724.743 Base-Backbone interact. energy: -3.601 local terms energy: -760.264682 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -145.416 flat angles C4'-P-C4' energy: -164.785 flat angles P-C4'-P energy: -99.291 tors. eta vs tors. theta energy: -200.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2508.470260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.470260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.470260 (E_RNA) where: Base-Base interactions energy: -1777.645 where: short stacking energy: -738.214 Base-Backbone interact. energy: -1.787 local terms energy: -729.038444 where: bonds (distance) C4'-P energy: -127.366 bonds (distance) P-C4' energy: -127.149 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -101.612 tors. eta vs tors. theta energy: -214.835 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: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2274.755266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.755266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.755266 (E_RNA) where: Base-Base interactions energy: -1534.884 where: short stacking energy: -666.919 Base-Backbone interact. energy: -1.884 local terms energy: -737.987129 where: bonds (distance) C4'-P energy: -146.425 bonds (distance) P-C4' energy: -131.757 flat angles C4'-P-C4' energy: -165.620 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -187.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2268.212594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.212594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.212594 (E_RNA) where: Base-Base interactions energy: -1556.086 where: short stacking energy: -636.103 Base-Backbone interact. energy: -0.500 local terms energy: -711.625891 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -135.908 flat angles C4'-P-C4' energy: -149.209 flat angles P-C4'-P energy: -102.823 tors. eta vs tors. theta energy: -184.420 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: 468 Temperature: 1.150000 Total energy: -2104.757938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.757938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.757938 (E_RNA) where: Base-Base interactions energy: -1442.381 where: short stacking energy: -625.038 Base-Backbone interact. energy: 0.062 local terms energy: -662.438698 where: bonds (distance) C4'-P energy: -131.372 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -159.501 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -149.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1831.472039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.472039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.472039 (E_RNA) where: Base-Base interactions energy: -1210.251 where: short stacking energy: -514.676 Base-Backbone interact. energy: -0.968 local terms energy: -620.253466 where: bonds (distance) C4'-P energy: -119.062 bonds (distance) P-C4' energy: -124.415 flat angles C4'-P-C4' energy: -147.157 flat angles P-C4'-P energy: -95.802 tors. eta vs tors. theta energy: -133.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1593.889168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.889168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.889168 (E_RNA) where: Base-Base interactions energy: -1068.831 where: short stacking energy: -465.631 Base-Backbone interact. energy: 6.989 local terms energy: -532.046589 where: bonds (distance) C4'-P energy: -124.490 bonds (distance) P-C4' energy: -137.154 flat angles C4'-P-C4' energy: -133.587 flat angles P-C4'-P energy: -39.930 tors. eta vs tors. theta energy: -96.885 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: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1241.108105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.108105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.108105 (E_RNA) where: Base-Base interactions energy: -795.834 where: short stacking energy: -365.528 Base-Backbone interact. energy: 1.005 local terms energy: -446.279608 where: bonds (distance) C4'-P energy: -107.891 bonds (distance) P-C4' energy: -122.029 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -33.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -947.779281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.779281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.779281 (E_RNA) where: Base-Base interactions energy: -562.539 where: short stacking energy: -303.820 Base-Backbone interact. energy: -2.474 local terms energy: -382.766286 where: bonds (distance) C4'-P energy: -88.375 bonds (distance) P-C4' energy: -105.264 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -65.009 tors. eta vs tors. theta energy: -23.113 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: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2774.408121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.408121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.408121 (E_RNA) where: Base-Base interactions energy: -1934.764 where: short stacking energy: -809.219 Base-Backbone interact. energy: -3.380 local terms energy: -836.263946 where: bonds (distance) C4'-P energy: -134.635 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -176.022 flat angles P-C4'-P energy: -127.656 tors. eta vs tors. theta energy: -246.584 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: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2616.476594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.476594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.476594 (E_RNA) where: Base-Base interactions energy: -1822.590 where: short stacking energy: -767.177 Base-Backbone interact. energy: -2.793 local terms energy: -791.093103 where: bonds (distance) C4'-P energy: -142.491 bonds (distance) P-C4' energy: -149.691 flat angles C4'-P-C4' energy: -168.127 flat angles P-C4'-P energy: -117.433 tors. eta vs tors. theta energy: -213.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2500.522614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.522614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.522614 (E_RNA) where: Base-Base interactions energy: -1772.245 where: short stacking energy: -697.576 Base-Backbone interact. energy: 3.248 local terms energy: -731.525382 where: bonds (distance) C4'-P energy: -127.687 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -169.981 flat angles P-C4'-P energy: -106.735 tors. eta vs tors. theta energy: -198.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2265.761944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.761944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.761944 (E_RNA) where: Base-Base interactions energy: -1577.678 where: short stacking energy: -665.873 Base-Backbone interact. energy: 6.021 local terms energy: -694.105272 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -155.072 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -181.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2222.830311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.830311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.830311 (E_RNA) where: Base-Base interactions energy: -1537.967 where: short stacking energy: -645.209 Base-Backbone interact. energy: -0.323 local terms energy: -684.540887 where: bonds (distance) C4'-P energy: -132.329 bonds (distance) P-C4' energy: -136.187 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -98.565 tors. eta vs tors. theta energy: -173.243 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: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2079.164022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.164022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.164022 (E_RNA) where: Base-Base interactions energy: -1431.168 where: short stacking energy: -596.950 Base-Backbone interact. energy: -1.113 local terms energy: -646.882191 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -116.716 flat angles C4'-P-C4' energy: -142.873 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -167.665 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: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1868.929898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.929898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.929898 (E_RNA) where: Base-Base interactions energy: -1245.618 where: short stacking energy: -545.664 Base-Backbone interact. energy: -0.579 local terms energy: -622.732696 where: bonds (distance) C4'-P energy: -123.416 bonds (distance) P-C4' energy: -129.328 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -91.748 tors. eta vs tors. theta energy: -136.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1584.093030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.093030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.093030 (E_RNA) where: Base-Base interactions energy: -1000.915 where: short stacking energy: -457.810 Base-Backbone interact. energy: 6.778 local terms energy: -589.956125 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -90.557 tors. eta vs tors. theta energy: -102.334 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: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1250.125798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.125798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.125798 (E_RNA) where: Base-Base interactions energy: -805.582 where: short stacking energy: -350.776 Base-Backbone interact. energy: 1.352 local terms energy: -445.896033 where: bonds (distance) C4'-P energy: -123.735 bonds (distance) P-C4' energy: -109.760 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -62.220 tors. eta vs tors. theta energy: -47.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -983.213743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.213743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.213743 (E_RNA) where: Base-Base interactions energy: -547.803 where: short stacking energy: -253.339 Base-Backbone interact. energy: 1.561 local terms energy: -436.972404 where: bonds (distance) C4'-P energy: -112.684 bonds (distance) P-C4' energy: -144.449 flat angles C4'-P-C4' energy: -106.158 flat angles P-C4'-P energy: -41.092 tors. eta vs tors. theta energy: -32.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2771.797709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.797709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.797709 (E_RNA) where: Base-Base interactions energy: -1961.903 where: short stacking energy: -828.739 Base-Backbone interact. energy: -3.199 local terms energy: -806.695343 where: bonds (distance) C4'-P energy: -144.929 bonds (distance) P-C4' energy: -134.615 flat angles C4'-P-C4' energy: -167.693 flat angles P-C4'-P energy: -118.768 tors. eta vs tors. theta energy: -240.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2629.411522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.411522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.411522 (E_RNA) where: Base-Base interactions energy: -1829.208 where: short stacking energy: -757.887 Base-Backbone interact. energy: -2.273 local terms energy: -797.930332 where: bonds (distance) C4'-P energy: -152.021 bonds (distance) P-C4' energy: -158.295 flat angles C4'-P-C4' energy: -165.182 flat angles P-C4'-P energy: -110.132 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: 470 Temperature: 1.000000 Total energy: -2528.360873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.360873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.360873 (E_RNA) where: Base-Base interactions energy: -1810.824 where: short stacking energy: -734.146 Base-Backbone interact. energy: 0.885 local terms energy: -718.422495 where: bonds (distance) C4'-P energy: -129.790 bonds (distance) P-C4' energy: -147.510 flat angles C4'-P-C4' energy: -147.921 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -210.439 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: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2370.438917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.438917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.438917 (E_RNA) where: Base-Base interactions energy: -1657.454 where: short stacking energy: -689.366 Base-Backbone interact. energy: -3.785 local terms energy: -709.199507 where: bonds (distance) C4'-P energy: -130.902 bonds (distance) P-C4' energy: -132.098 flat angles C4'-P-C4' energy: -152.063 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -188.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2217.523056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.523056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.523056 (E_RNA) where: Base-Base interactions energy: -1528.889 where: short stacking energy: -668.924 Base-Backbone interact. energy: 1.269 local terms energy: -689.902618 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -155.421 flat angles P-C4'-P energy: -92.997 tors. eta vs tors. theta energy: -188.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2083.752668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.752668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.752668 (E_RNA) where: Base-Base interactions energy: -1421.251 where: short stacking energy: -619.919 Base-Backbone interact. energy: -0.209 local terms energy: -662.293326 where: bonds (distance) C4'-P energy: -136.790 bonds (distance) P-C4' energy: -109.033 flat angles C4'-P-C4' energy: -155.527 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -154.929 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: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1859.317164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.317164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.317164 (E_RNA) where: Base-Base interactions energy: -1243.904 where: short stacking energy: -512.498 Base-Backbone interact. energy: -2.495 local terms energy: -612.918464 where: bonds (distance) C4'-P energy: -123.900 bonds (distance) P-C4' energy: -116.265 flat angles C4'-P-C4' energy: -150.571 flat angles P-C4'-P energy: -79.188 tors. eta vs tors. theta energy: -142.994 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: 470 Temperature: 1.250000 Total energy: -1566.150281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.150281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.150281 (E_RNA) where: Base-Base interactions energy: -999.799 where: short stacking energy: -459.255 Base-Backbone interact. energy: -2.498 local terms energy: -563.853733 where: bonds (distance) C4'-P energy: -122.074 bonds (distance) P-C4' energy: -122.531 flat angles C4'-P-C4' energy: -140.429 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -98.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1256.663778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.663778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.663778 (E_RNA) where: Base-Base interactions energy: -785.563 where: short stacking energy: -377.858 Base-Backbone interact. energy: -1.742 local terms energy: -469.358817 where: bonds (distance) C4'-P energy: -122.875 bonds (distance) P-C4' energy: -127.531 flat angles C4'-P-C4' energy: -103.730 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -66.464 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: 470 Temperature: 1.350000 Total energy: -930.886235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.886235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.886235 (E_RNA) where: Base-Base interactions energy: -512.676 where: short stacking energy: -277.184 Base-Backbone interact. energy: 0.978 local terms energy: -419.187488 where: bonds (distance) C4'-P energy: -110.107 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -88.379 flat angles P-C4'-P energy: -68.312 tors. eta vs tors. theta energy: -17.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2763.619402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.619402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.619402 (E_RNA) where: Base-Base interactions energy: -1913.394 where: short stacking energy: -816.067 Base-Backbone interact. energy: -2.205 local terms energy: -848.019998 where: bonds (distance) C4'-P energy: -146.893 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -174.622 flat angles P-C4'-P energy: -108.659 tors. eta vs tors. theta energy: -252.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2603.628847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.628847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.628847 (E_RNA) where: Base-Base interactions energy: -1812.673 where: short stacking energy: -734.951 Base-Backbone interact. energy: -1.350 local terms energy: -789.605932 where: bonds (distance) C4'-P energy: -152.890 bonds (distance) P-C4' energy: -136.861 flat angles C4'-P-C4' energy: -163.209 flat angles P-C4'-P energy: -115.199 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: 471 Temperature: 1.000000 Total energy: -2518.220232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.220232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.220232 (E_RNA) where: Base-Base interactions energy: -1777.969 where: short stacking energy: -720.008 Base-Backbone interact. energy: -1.198 local terms energy: -739.052942 where: bonds (distance) C4'-P energy: -136.764 bonds (distance) P-C4' energy: -136.229 flat angles C4'-P-C4' energy: -161.692 flat angles P-C4'-P energy: -102.064 tors. eta vs tors. theta energy: -202.305 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: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2330.877385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.877385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.877385 (E_RNA) where: Base-Base interactions energy: -1595.397 where: short stacking energy: -685.998 Base-Backbone interact. energy: -3.645 local terms energy: -731.835183 where: bonds (distance) C4'-P energy: -140.693 bonds (distance) P-C4' energy: -147.674 flat angles C4'-P-C4' energy: -158.791 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -200.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2212.792465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.792465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.792465 (E_RNA) where: Base-Base interactions energy: -1496.629 where: short stacking energy: -661.861 Base-Backbone interact. energy: -3.792 local terms energy: -712.371962 where: bonds (distance) C4'-P energy: -121.743 bonds (distance) P-C4' energy: -139.682 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -108.230 tors. eta vs tors. theta energy: -186.106 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2046.901825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.901825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.901825 (E_RNA) where: Base-Base interactions energy: -1387.407 where: short stacking energy: -567.554 Base-Backbone interact. energy: 0.512 local terms energy: -660.006830 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -134.994 flat angles C4'-P-C4' energy: -155.426 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -150.093 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1920.145552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.145552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.145552 (E_RNA) where: Base-Base interactions energy: -1333.828 where: short stacking energy: -627.481 Base-Backbone interact. energy: 8.601 local terms energy: -594.918209 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -129.824 flat angles P-C4'-P energy: -82.201 tors. eta vs tors. theta energy: -143.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1641.582001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.582001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.582001 (E_RNA) where: Base-Base interactions energy: -1068.961 where: short stacking energy: -482.707 Base-Backbone interact. energy: -2.885 local terms energy: -569.735374 where: bonds (distance) C4'-P energy: -123.587 bonds (distance) P-C4' energy: -137.346 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -62.001 tors. eta vs tors. theta energy: -112.745 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: 471 Temperature: 1.300000 Total energy: -1271.724210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.724210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.724210 (E_RNA) where: Base-Base interactions energy: -793.860 where: short stacking energy: -353.426 Base-Backbone interact. energy: -1.675 local terms energy: -476.189609 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -128.572 flat angles C4'-P-C4' energy: -123.857 flat angles P-C4'-P energy: -58.843 tors. eta vs tors. theta energy: -44.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -946.738613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.738613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.738613 (E_RNA) where: Base-Base interactions energy: -523.559 where: short stacking energy: -272.631 Base-Backbone interact. energy: -0.360 local terms energy: -422.819556 where: bonds (distance) C4'-P energy: -114.061 bonds (distance) P-C4' energy: -116.306 flat angles C4'-P-C4' energy: -107.515 flat angles P-C4'-P energy: -66.169 tors. eta vs tors. theta energy: -18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2758.134915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.134915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.134915 (E_RNA) where: Base-Base interactions energy: -1932.196 where: short stacking energy: -827.496 Base-Backbone interact. energy: -4.092 local terms energy: -821.846363 where: bonds (distance) C4'-P energy: -151.818 bonds (distance) P-C4' energy: -140.815 flat angles C4'-P-C4' energy: -179.598 flat angles P-C4'-P energy: -105.122 tors. eta vs tors. theta energy: -244.493 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: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2597.025487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.025487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.025487 (E_RNA) where: Base-Base interactions energy: -1822.005 where: short stacking energy: -744.677 Base-Backbone interact. energy: -2.093 local terms energy: -772.927730 where: bonds (distance) C4'-P energy: -137.704 bonds (distance) P-C4' energy: -144.230 flat angles C4'-P-C4' energy: -164.356 flat angles P-C4'-P energy: -113.484 tors. eta vs tors. theta energy: -213.153 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: 472 Temperature: 1.000000 Total energy: -2548.175426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.175426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.175426 (E_RNA) where: Base-Base interactions energy: -1785.278 where: short stacking energy: -723.852 Base-Backbone interact. energy: 5.055 local terms energy: -767.952557 where: bonds (distance) C4'-P energy: -146.656 bonds (distance) P-C4' energy: -147.399 flat angles C4'-P-C4' energy: -159.100 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -207.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2318.718114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.718114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.718114 (E_RNA) where: Base-Base interactions energy: -1585.195 where: short stacking energy: -644.906 Base-Backbone interact. energy: -7.586 local terms energy: -725.937382 where: bonds (distance) C4'-P energy: -128.561 bonds (distance) P-C4' energy: -135.889 flat angles C4'-P-C4' energy: -157.027 flat angles P-C4'-P energy: -112.878 tors. eta vs tors. theta energy: -191.582 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: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2268.152362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.152362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.152362 (E_RNA) where: Base-Base interactions energy: -1535.993 where: short stacking energy: -659.200 Base-Backbone interact. energy: -3.213 local terms energy: -728.946157 where: bonds (distance) C4'-P energy: -142.268 bonds (distance) P-C4' energy: -136.415 flat angles C4'-P-C4' energy: -154.172 flat angles P-C4'-P energy: -105.086 tors. eta vs tors. theta energy: -191.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2102.599304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.599304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.599304 (E_RNA) where: Base-Base interactions energy: -1421.409 where: short stacking energy: -600.708 Base-Backbone interact. energy: 0.828 local terms energy: -682.017686 where: bonds (distance) C4'-P energy: -132.495 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -147.087 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -156.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1798.354595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.354595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.354595 (E_RNA) where: Base-Base interactions energy: -1187.604 where: short stacking energy: -526.801 Base-Backbone interact. energy: 0.688 local terms energy: -611.438767 where: bonds (distance) C4'-P energy: -126.620 bonds (distance) P-C4' energy: -129.745 flat angles C4'-P-C4' energy: -124.627 flat angles P-C4'-P energy: -97.568 tors. eta vs tors. theta energy: -132.879 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: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1664.610290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.610290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.610290 (E_RNA) where: Base-Base interactions energy: -1088.302 where: short stacking energy: -495.591 Base-Backbone interact. energy: 0.211 local terms energy: -576.519578 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -124.100 flat angles C4'-P-C4' energy: -133.342 flat angles P-C4'-P energy: -98.675 tors. eta vs tors. theta energy: -109.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1413.397545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.397545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.397545 (E_RNA) where: Base-Base interactions energy: -896.288 where: short stacking energy: -397.915 Base-Backbone interact. energy: 1.464 local terms energy: -518.574379 where: bonds (distance) C4'-P energy: -121.542 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -123.675 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -79.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1024.913865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.913865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.913865 (E_RNA) where: Base-Base interactions energy: -590.172 where: short stacking energy: -300.779 Base-Backbone interact. energy: 5.110 local terms energy: -439.852169 where: bonds (distance) C4'-P energy: -109.715 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -106.850 flat angles P-C4'-P energy: -70.266 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: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2756.233121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.233121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.233121 (E_RNA) where: Base-Base interactions energy: -1909.584 where: short stacking energy: -801.834 Base-Backbone interact. energy: -1.022 local terms energy: -845.626751 where: bonds (distance) C4'-P energy: -149.406 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -169.547 flat angles P-C4'-P energy: -121.927 tors. eta vs tors. theta energy: -243.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2599.902330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.902330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.902330 (E_RNA) where: Base-Base interactions energy: -1812.013 where: short stacking energy: -749.218 Base-Backbone interact. energy: -2.871 local terms energy: -785.018510 where: bonds (distance) C4'-P energy: -128.441 bonds (distance) P-C4' energy: -145.514 flat angles C4'-P-C4' energy: -168.958 flat angles P-C4'-P energy: -119.747 tors. eta vs tors. theta energy: -222.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2548.987475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.987475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.987475 (E_RNA) where: Base-Base interactions energy: -1798.189 where: short stacking energy: -719.240 Base-Backbone interact. energy: 1.290 local terms energy: -752.088283 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -136.804 flat angles C4'-P-C4' energy: -167.176 flat angles P-C4'-P energy: -117.627 tors. eta vs tors. theta energy: -204.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2280.980877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.980877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.980877 (E_RNA) where: Base-Base interactions energy: -1574.112 where: short stacking energy: -689.525 Base-Backbone interact. energy: -2.077 local terms energy: -704.792506 where: bonds (distance) C4'-P energy: -123.822 bonds (distance) P-C4' energy: -141.089 flat angles C4'-P-C4' energy: -156.580 flat angles P-C4'-P energy: -101.903 tors. eta vs tors. theta energy: -181.399 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: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2239.879684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.879684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.879684 (E_RNA) where: Base-Base interactions energy: -1545.429 where: short stacking energy: -661.460 Base-Backbone interact. energy: -3.593 local terms energy: -690.857941 where: bonds (distance) C4'-P energy: -117.678 bonds (distance) P-C4' energy: -140.629 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -89.517 tors. eta vs tors. theta energy: -192.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2057.214664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.214664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.214664 (E_RNA) where: Base-Base interactions energy: -1398.716 where: short stacking energy: -589.085 Base-Backbone interact. energy: 0.124 local terms energy: -658.622846 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -136.225 flat angles C4'-P-C4' energy: -151.113 flat angles P-C4'-P energy: -90.198 tors. eta vs tors. theta energy: -170.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1822.684169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.684169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.684169 (E_RNA) where: Base-Base interactions energy: -1219.071 where: short stacking energy: -546.163 Base-Backbone interact. energy: -4.728 local terms energy: -598.885237 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -121.746 flat angles C4'-P-C4' energy: -135.183 flat angles P-C4'-P energy: -82.462 tors. eta vs tors. theta energy: -126.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1595.521761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.521761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.521761 (E_RNA) where: Base-Base interactions energy: -1041.037 where: short stacking energy: -456.489 Base-Backbone interact. energy: -1.623 local terms energy: -552.861554 where: bonds (distance) C4'-P energy: -124.639 bonds (distance) P-C4' energy: -122.950 flat angles C4'-P-C4' energy: -122.370 flat angles P-C4'-P energy: -102.764 tors. eta vs tors. theta energy: -80.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1350.173619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.173619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.173619 (E_RNA) where: Base-Base interactions energy: -863.447 where: short stacking energy: -393.360 Base-Backbone interact. energy: -0.403 local terms energy: -486.323138 where: bonds (distance) C4'-P energy: -107.464 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -114.685 flat angles P-C4'-P energy: -76.051 tors. eta vs tors. theta energy: -76.332 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: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1021.184698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.184698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.184698 (E_RNA) where: Base-Base interactions energy: -631.064 where: short stacking energy: -297.755 Base-Backbone interact. energy: 0.299 local terms energy: -390.420177 where: bonds (distance) C4'-P energy: -101.702 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -107.347 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -8.606 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: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2758.803089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.803089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.803089 (E_RNA) where: Base-Base interactions energy: -1933.765 where: short stacking energy: -827.747 Base-Backbone interact. energy: -1.933 local terms energy: -823.104536 where: bonds (distance) C4'-P energy: -157.167 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -117.124 tors. eta vs tors. theta energy: -241.779 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: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2625.362051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.362051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.362051 (E_RNA) where: Base-Base interactions energy: -1844.962 where: short stacking energy: -735.978 Base-Backbone interact. energy: -0.502 local terms energy: -779.898297 where: bonds (distance) C4'-P energy: -146.897 bonds (distance) P-C4' energy: -146.581 flat angles C4'-P-C4' energy: -158.261 flat angles P-C4'-P energy: -112.892 tors. eta vs tors. theta energy: -215.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2570.743301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.743301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.743301 (E_RNA) where: Base-Base interactions energy: -1815.404 where: short stacking energy: -739.305 Base-Backbone interact. energy: -0.853 local terms energy: -754.486014 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -143.987 flat angles C4'-P-C4' energy: -169.650 flat angles P-C4'-P energy: -108.379 tors. eta vs tors. theta energy: -201.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2311.789894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.789894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.789894 (E_RNA) where: Base-Base interactions energy: -1560.832 where: short stacking energy: -662.294 Base-Backbone interact. energy: -7.356 local terms energy: -743.601811 where: bonds (distance) C4'-P energy: -130.366 bonds (distance) P-C4' energy: -152.288 flat angles C4'-P-C4' energy: -159.970 flat angles P-C4'-P energy: -111.842 tors. eta vs tors. theta energy: -189.136 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: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2236.489890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.489890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.489890 (E_RNA) where: Base-Base interactions energy: -1529.769 where: short stacking energy: -693.695 Base-Backbone interact. energy: -2.235 local terms energy: -704.486106 where: bonds (distance) C4'-P energy: -143.781 bonds (distance) P-C4' energy: -120.000 flat angles C4'-P-C4' energy: -150.639 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -198.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2088.197435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.197435 (E_RNA) where: Base-Base interactions energy: -1435.113 where: short stacking energy: -621.730 Base-Backbone interact. energy: -2.668 local terms energy: -650.416510 where: bonds (distance) C4'-P energy: -119.156 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -137.683 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: -159.229 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: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1818.163695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.163695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.163695 (E_RNA) where: Base-Base interactions energy: -1192.921 where: short stacking energy: -548.797 Base-Backbone interact. energy: 0.196 local terms energy: -625.438287 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -126.676 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: -151.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1580.130505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.130505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.130505 (E_RNA) where: Base-Base interactions energy: -1049.377 where: short stacking energy: -434.946 Base-Backbone interact. energy: -1.713 local terms energy: -529.041100 where: bonds (distance) C4'-P energy: -107.734 bonds (distance) P-C4' energy: -116.560 flat angles C4'-P-C4' energy: -128.289 flat angles P-C4'-P energy: -78.770 tors. eta vs tors. theta energy: -97.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1377.935724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.935724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.935724 (E_RNA) where: Base-Base interactions energy: -872.327 where: short stacking energy: -396.646 Base-Backbone interact. energy: -3.364 local terms energy: -502.245101 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -120.964 flat angles C4'-P-C4' energy: -128.561 flat angles P-C4'-P energy: -70.581 tors. eta vs tors. theta energy: -74.554 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: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -973.787810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.787810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.787810 (E_RNA) where: Base-Base interactions energy: -529.270 where: short stacking energy: -294.897 Base-Backbone interact. energy: -3.029 local terms energy: -441.489154 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -130.245 flat angles C4'-P-C4' energy: -116.123 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -20.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2756.009766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.009766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.009766 (E_RNA) where: Base-Base interactions energy: -1945.200 where: short stacking energy: -823.705 Base-Backbone interact. energy: -0.997 local terms energy: -809.812828 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -139.324 flat angles C4'-P-C4' energy: -174.171 flat angles P-C4'-P energy: -114.565 tors. eta vs tors. theta energy: -252.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2621.545653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.545653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.545653 (E_RNA) where: Base-Base interactions energy: -1844.200 where: short stacking energy: -765.226 Base-Backbone interact. energy: 0.301 local terms energy: -777.647282 where: bonds (distance) C4'-P energy: -137.358 bonds (distance) P-C4' energy: -152.993 flat angles C4'-P-C4' energy: -168.782 flat angles P-C4'-P energy: -103.763 tors. eta vs tors. theta energy: -214.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2569.726332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.726332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.726332 (E_RNA) where: Base-Base interactions energy: -1779.547 where: short stacking energy: -749.413 Base-Backbone interact. energy: -0.679 local terms energy: -789.500766 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -149.530 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -123.224 tors. eta vs tors. theta energy: -205.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2301.660705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.660705 (E_RNA) where: Base-Base interactions energy: -1591.147 where: short stacking energy: -681.332 Base-Backbone interact. energy: -0.342 local terms energy: -710.171599 where: bonds (distance) C4'-P energy: -115.166 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -152.739 flat angles P-C4'-P energy: -111.803 tors. eta vs tors. theta energy: -189.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2220.804560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.804560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.804560 (E_RNA) where: Base-Base interactions energy: -1502.826 where: short stacking energy: -672.767 Base-Backbone interact. energy: 6.977 local terms energy: -724.956258 where: bonds (distance) C4'-P energy: -146.086 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -151.341 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -180.756 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: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2066.703109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.703109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.703109 (E_RNA) where: Base-Base interactions energy: -1412.464 where: short stacking energy: -586.722 Base-Backbone interact. energy: -0.976 local terms energy: -653.263071 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -112.911 flat angles C4'-P-C4' energy: -151.581 flat angles P-C4'-P energy: -94.814 tors. eta vs tors. theta energy: -157.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1812.244445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.244445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.244445 (E_RNA) where: Base-Base interactions energy: -1221.446 where: short stacking energy: -520.172 Base-Backbone interact. energy: -2.802 local terms energy: -587.995697 where: bonds (distance) C4'-P energy: -105.849 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -146.710 flat angles P-C4'-P energy: -88.864 tors. eta vs tors. theta energy: -128.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1665.108635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.108635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.108635 (E_RNA) where: Base-Base interactions energy: -1110.612 where: short stacking energy: -471.560 Base-Backbone interact. energy: -5.021 local terms energy: -549.475832 where: bonds (distance) C4'-P energy: -113.643 bonds (distance) P-C4' energy: -117.878 flat angles C4'-P-C4' energy: -121.844 flat angles P-C4'-P energy: -93.421 tors. eta vs tors. theta energy: -102.690 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: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1275.151764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.151764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.151764 (E_RNA) where: Base-Base interactions energy: -821.512 where: short stacking energy: -385.313 Base-Backbone interact. energy: -4.298 local terms energy: -449.341885 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -83.571 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -64.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -992.631129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.631129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.631129 (E_RNA) where: Base-Base interactions energy: -569.870 where: short stacking energy: -284.816 Base-Backbone interact. energy: -1.869 local terms energy: -420.892548 where: bonds (distance) C4'-P energy: -105.519 bonds (distance) P-C4' energy: -126.682 flat angles C4'-P-C4' energy: -110.611 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -30.428 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: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2783.220330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.220330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.220330 (E_RNA) where: Base-Base interactions energy: -1930.737 where: short stacking energy: -834.451 Base-Backbone interact. energy: 0.913 local terms energy: -853.395669 where: bonds (distance) C4'-P energy: -156.519 bonds (distance) P-C4' energy: -149.294 flat angles C4'-P-C4' energy: -177.065 flat angles P-C4'-P energy: -116.204 tors. eta vs tors. theta energy: -254.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2595.381115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.381115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.381115 (E_RNA) where: Base-Base interactions energy: -1814.187 where: short stacking energy: -767.356 Base-Backbone interact. energy: -4.506 local terms energy: -776.688512 where: bonds (distance) C4'-P energy: -141.055 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -166.084 flat angles P-C4'-P energy: -111.741 tors. eta vs tors. theta energy: -215.259 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: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2568.164632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.164632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.164632 (E_RNA) where: Base-Base interactions energy: -1817.422 where: short stacking energy: -730.489 Base-Backbone interact. energy: 0.128 local terms energy: -750.870487 where: bonds (distance) C4'-P energy: -147.193 bonds (distance) P-C4' energy: -127.758 flat angles C4'-P-C4' energy: -162.997 flat angles P-C4'-P energy: -110.276 tors. eta vs tors. theta energy: -202.645 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: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2334.843705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.843705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.843705 (E_RNA) where: Base-Base interactions energy: -1623.631 where: short stacking energy: -678.582 Base-Backbone interact. energy: 1.852 local terms energy: -713.065456 where: bonds (distance) C4'-P energy: -134.952 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -158.371 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -176.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2193.445051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.445051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.445051 (E_RNA) where: Base-Base interactions energy: -1510.162 where: short stacking energy: -633.417 Base-Backbone interact. energy: -1.620 local terms energy: -681.663059 where: bonds (distance) C4'-P energy: -122.031 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -151.032 flat angles P-C4'-P energy: -100.384 tors. eta vs tors. theta energy: -168.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2093.341184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.341184 (E_RNA) where: Base-Base interactions energy: -1455.181 where: short stacking energy: -658.295 Base-Backbone interact. energy: -3.021 local terms energy: -635.140022 where: bonds (distance) C4'-P energy: -129.886 bonds (distance) P-C4' energy: -127.981 flat angles C4'-P-C4' energy: -129.239 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -169.788 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: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1755.708408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.708408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.708408 (E_RNA) where: Base-Base interactions energy: -1169.811 where: short stacking energy: -504.379 Base-Backbone interact. energy: 5.624 local terms energy: -591.521380 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -126.000 flat angles C4'-P-C4' energy: -125.571 flat angles P-C4'-P energy: -85.107 tors. eta vs tors. theta energy: -129.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1643.234401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.234401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.234401 (E_RNA) where: Base-Base interactions energy: -1091.266 where: short stacking energy: -464.337 Base-Backbone interact. energy: -2.263 local terms energy: -549.705021 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -117.132 flat angles C4'-P-C4' energy: -114.670 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -111.168 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: 476 Temperature: 1.300000 Total energy: -1296.700040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.700040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.700040 (E_RNA) where: Base-Base interactions energy: -786.433 where: short stacking energy: -382.250 Base-Backbone interact. energy: -1.240 local terms energy: -509.026748 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -121.433 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: -57.701 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: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1027.628622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.628622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.628622 (E_RNA) where: Base-Base interactions energy: -560.151 where: short stacking energy: -301.750 Base-Backbone interact. energy: -4.389 local terms energy: -463.087862 where: bonds (distance) C4'-P energy: -121.607 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -116.753 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -36.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2768.691440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.691440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.691440 (E_RNA) where: Base-Base interactions energy: -1918.235 where: short stacking energy: -832.683 Base-Backbone interact. energy: -3.169 local terms energy: -847.287738 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -169.923 flat angles P-C4'-P energy: -113.310 tors. eta vs tors. theta energy: -251.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2591.055187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.055187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.055187 (E_RNA) where: Base-Base interactions energy: -1808.903 where: short stacking energy: -763.791 Base-Backbone interact. energy: -1.200 local terms energy: -780.952052 where: bonds (distance) C4'-P energy: -144.799 bonds (distance) P-C4' energy: -139.926 flat angles C4'-P-C4' energy: -182.696 flat angles P-C4'-P energy: -107.125 tors. eta vs tors. theta energy: -206.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2559.570900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.570900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.570900 (E_RNA) where: Base-Base interactions energy: -1799.703 where: short stacking energy: -724.249 Base-Backbone interact. energy: -3.047 local terms energy: -756.821455 where: bonds (distance) C4'-P energy: -137.662 bonds (distance) P-C4' energy: -146.925 flat angles C4'-P-C4' energy: -162.422 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -205.220 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: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2304.193057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.193057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.193057 (E_RNA) where: Base-Base interactions energy: -1552.335 where: short stacking energy: -668.206 Base-Backbone interact. energy: -0.886 local terms energy: -750.972045 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -151.449 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -113.654 tors. eta vs tors. theta energy: -176.521 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: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2235.854500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.854500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.854500 (E_RNA) where: Base-Base interactions energy: -1511.926 where: short stacking energy: -639.140 Base-Backbone interact. energy: -1.444 local terms energy: -722.484470 where: bonds (distance) C4'-P energy: -137.468 bonds (distance) P-C4' energy: -150.093 flat angles C4'-P-C4' energy: -156.239 flat angles P-C4'-P energy: -91.932 tors. eta vs tors. theta energy: -186.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2136.832117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.832117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.832117 (E_RNA) where: Base-Base interactions energy: -1482.943 where: short stacking energy: -659.024 Base-Backbone interact. energy: 0.182 local terms energy: -654.071725 where: bonds (distance) C4'-P energy: -138.849 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -143.121 flat angles P-C4'-P energy: -83.422 tors. eta vs tors. theta energy: -181.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1802.955807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.955807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.955807 (E_RNA) where: Base-Base interactions energy: -1202.899 where: short stacking energy: -527.279 Base-Backbone interact. energy: -3.244 local terms energy: -596.812664 where: bonds (distance) C4'-P energy: -122.651 bonds (distance) P-C4' energy: -118.889 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -87.094 tors. eta vs tors. theta energy: -138.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1692.644889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.644889 (E_RNA) where: Base-Base interactions energy: -1142.369 where: short stacking energy: -493.606 Base-Backbone interact. energy: -1.509 local terms energy: -548.766630 where: bonds (distance) C4'-P energy: -108.722 bonds (distance) P-C4' energy: -107.581 flat angles C4'-P-C4' energy: -139.212 flat angles P-C4'-P energy: -79.264 tors. eta vs tors. theta energy: -113.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1366.682051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.682051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.682051 (E_RNA) where: Base-Base interactions energy: -854.328 where: short stacking energy: -384.579 Base-Backbone interact. energy: 0.326 local terms energy: -512.679972 where: bonds (distance) C4'-P energy: -129.909 bonds (distance) P-C4' energy: -124.599 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -70.602 tors. eta vs tors. theta energy: -67.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1054.791862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.791862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.791862 (E_RNA) where: Base-Base interactions energy: -608.820 where: short stacking energy: -300.543 Base-Backbone interact. energy: 1.876 local terms energy: -447.848369 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -112.260 flat angles C4'-P-C4' energy: -110.547 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -44.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2766.621642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.621642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.621642 (E_RNA) where: Base-Base interactions energy: -1928.136 where: short stacking energy: -820.537 Base-Backbone interact. energy: 0.679 local terms energy: -839.163811 where: bonds (distance) C4'-P energy: -153.848 bonds (distance) P-C4' energy: -149.309 flat angles C4'-P-C4' energy: -175.107 flat angles P-C4'-P energy: -115.977 tors. eta vs tors. theta energy: -244.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2657.761127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.761127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.761127 (E_RNA) where: Base-Base interactions energy: -1829.057 where: short stacking energy: -747.136 Base-Backbone interact. energy: -4.652 local terms energy: -824.051776 where: bonds (distance) C4'-P energy: -161.208 bonds (distance) P-C4' energy: -160.358 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -122.317 tors. eta vs tors. theta energy: -212.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2572.173467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.173467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.173467 (E_RNA) where: Base-Base interactions energy: -1803.061 where: short stacking energy: -733.755 Base-Backbone interact. energy: -1.452 local terms energy: -767.660279 where: bonds (distance) C4'-P energy: -139.806 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -163.453 flat angles P-C4'-P energy: -94.018 tors. eta vs tors. theta energy: -224.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2317.726300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.726300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.726300 (E_RNA) where: Base-Base interactions energy: -1600.093 where: short stacking energy: -682.029 Base-Backbone interact. energy: -4.406 local terms energy: -713.226844 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -130.553 flat angles C4'-P-C4' energy: -169.047 flat angles P-C4'-P energy: -91.761 tors. eta vs tors. theta energy: -189.236 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2270.957154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.957154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.957154 (E_RNA) where: Base-Base interactions energy: -1555.534 where: short stacking energy: -674.091 Base-Backbone interact. energy: -0.574 local terms energy: -714.848897 where: bonds (distance) C4'-P energy: -127.853 bonds (distance) P-C4' energy: -138.167 flat angles C4'-P-C4' energy: -154.736 flat angles P-C4'-P energy: -99.040 tors. eta vs tors. theta energy: -195.053 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: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2107.216295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.216295 (E_RNA) where: Base-Base interactions energy: -1420.688 where: short stacking energy: -612.236 Base-Backbone interact. energy: 0.378 local terms energy: -686.906662 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -133.887 flat angles C4'-P-C4' energy: -152.145 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -179.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1774.586093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.586093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.586093 (E_RNA) where: Base-Base interactions energy: -1183.843 where: short stacking energy: -535.557 Base-Backbone interact. energy: 3.701 local terms energy: -594.444531 where: bonds (distance) C4'-P energy: -113.617 bonds (distance) P-C4' energy: -141.185 flat angles C4'-P-C4' energy: -126.605 flat angles P-C4'-P energy: -84.461 tors. eta vs tors. theta energy: -128.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1726.689942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.689942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.689942 (E_RNA) where: Base-Base interactions energy: -1171.670 where: short stacking energy: -534.514 Base-Backbone interact. energy: -1.037 local terms energy: -553.983198 where: bonds (distance) C4'-P energy: -110.878 bonds (distance) P-C4' energy: -118.698 flat angles C4'-P-C4' energy: -124.539 flat angles P-C4'-P energy: -79.775 tors. eta vs tors. theta energy: -120.093 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: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1277.052932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.052932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.052932 (E_RNA) where: Base-Base interactions energy: -829.904 where: short stacking energy: -371.739 Base-Backbone interact. energy: -2.424 local terms energy: -444.725312 where: bonds (distance) C4'-P energy: -95.553 bonds (distance) P-C4' energy: -121.876 flat angles C4'-P-C4' energy: -116.522 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -56.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -971.308049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.308049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.308049 (E_RNA) where: Base-Base interactions energy: -563.113 where: short stacking energy: -262.013 Base-Backbone interact. energy: -1.125 local terms energy: -407.070016 where: bonds (distance) C4'-P energy: -133.556 bonds (distance) P-C4' energy: -126.679 flat angles C4'-P-C4' energy: -84.833 flat angles P-C4'-P energy: -55.388 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2759.845601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.845601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.845601 (E_RNA) where: Base-Base interactions energy: -1951.766 where: short stacking energy: -803.131 Base-Backbone interact. energy: 1.731 local terms energy: -809.810681 where: bonds (distance) C4'-P energy: -143.786 bonds (distance) P-C4' energy: -140.152 flat angles C4'-P-C4' energy: -176.701 flat angles P-C4'-P energy: -119.402 tors. eta vs tors. theta energy: -229.769 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: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2609.825937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.825937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.825937 (E_RNA) where: Base-Base interactions energy: -1851.973 where: short stacking energy: -742.080 Base-Backbone interact. energy: -1.785 local terms energy: -756.068044 where: bonds (distance) C4'-P energy: -141.963 bonds (distance) P-C4' energy: -142.406 flat angles C4'-P-C4' energy: -165.138 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -200.421 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: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2561.400850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.400850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.400850 (E_RNA) where: Base-Base interactions energy: -1814.641 where: short stacking energy: -722.964 Base-Backbone interact. energy: -4.853 local terms energy: -741.907041 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -134.085 flat angles C4'-P-C4' energy: -156.531 flat angles P-C4'-P energy: -104.422 tors. eta vs tors. theta energy: -215.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2376.942007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.942007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.942007 (E_RNA) where: Base-Base interactions energy: -1641.399 where: short stacking energy: -686.683 Base-Backbone interact. energy: -3.075 local terms energy: -732.468512 where: bonds (distance) C4'-P energy: -118.914 bonds (distance) P-C4' energy: -147.697 flat angles C4'-P-C4' energy: -158.784 flat angles P-C4'-P energy: -105.472 tors. eta vs tors. theta energy: -201.602 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2231.968641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.968641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.968641 (E_RNA) where: Base-Base interactions energy: -1524.230 where: short stacking energy: -668.618 Base-Backbone interact. energy: -0.869 local terms energy: -706.869338 where: bonds (distance) C4'-P energy: -135.200 bonds (distance) P-C4' energy: -136.256 flat angles C4'-P-C4' energy: -143.706 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -190.934 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: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2031.822056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.822056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.822056 (E_RNA) where: Base-Base interactions energy: -1416.592 where: short stacking energy: -592.082 Base-Backbone interact. energy: -0.808 local terms energy: -614.421865 where: bonds (distance) C4'-P energy: -110.102 bonds (distance) P-C4' energy: -122.910 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -94.150 tors. eta vs tors. theta energy: -148.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1784.701579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.701579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.701579 (E_RNA) where: Base-Base interactions energy: -1181.929 where: short stacking energy: -511.610 Base-Backbone interact. energy: 1.563 local terms energy: -604.334807 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -143.066 flat angles C4'-P-C4' energy: -134.317 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -120.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1674.813652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.813652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.813652 (E_RNA) where: Base-Base interactions energy: -1126.844 where: short stacking energy: -484.514 Base-Backbone interact. energy: -2.847 local terms energy: -545.123464 where: bonds (distance) C4'-P energy: -120.786 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -113.967 flat angles P-C4'-P energy: -88.277 tors. eta vs tors. theta energy: -103.447 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: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1232.718260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.718260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.718260 (E_RNA) where: Base-Base interactions energy: -750.091 where: short stacking energy: -352.394 Base-Backbone interact. energy: 2.942 local terms energy: -485.569332 where: bonds (distance) C4'-P energy: -122.216 bonds (distance) P-C4' energy: -133.494 flat angles C4'-P-C4' energy: -116.780 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -66.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -988.302199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.302199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.302199 (E_RNA) where: Base-Base interactions energy: -543.098 where: short stacking energy: -266.722 Base-Backbone interact. energy: -2.106 local terms energy: -443.098408 where: bonds (distance) C4'-P energy: -117.404 bonds (distance) P-C4' energy: -114.408 flat angles C4'-P-C4' energy: -125.950 flat angles P-C4'-P energy: -76.747 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2758.302428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.302428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.302428 (E_RNA) where: Base-Base interactions energy: -1941.022 where: short stacking energy: -813.700 Base-Backbone interact. energy: -1.717 local terms energy: -815.563890 where: bonds (distance) C4'-P energy: -149.393 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -161.003 flat angles P-C4'-P energy: -114.468 tors. eta vs tors. theta energy: -242.087 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: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2573.673632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.673632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.673632 (E_RNA) where: Base-Base interactions energy: -1786.582 where: short stacking energy: -727.958 Base-Backbone interact. energy: -2.875 local terms energy: -784.216928 where: bonds (distance) C4'-P energy: -138.515 bonds (distance) P-C4' energy: -158.123 flat angles C4'-P-C4' energy: -168.584 flat angles P-C4'-P energy: -115.758 tors. eta vs tors. theta energy: -203.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2532.716425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.716425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.716425 (E_RNA) where: Base-Base interactions energy: -1790.328 where: short stacking energy: -698.108 Base-Backbone interact. energy: -2.173 local terms energy: -740.215433 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -147.940 flat angles C4'-P-C4' energy: -163.392 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -202.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2383.929306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.929306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.929306 (E_RNA) where: Base-Base interactions energy: -1689.161 where: short stacking energy: -683.372 Base-Backbone interact. energy: -2.112 local terms energy: -692.656324 where: bonds (distance) C4'-P energy: -121.167 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -159.259 flat angles P-C4'-P energy: -91.874 tors. eta vs tors. theta energy: -198.903 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: 480 Temperature: 1.100000 Total energy: -2295.866089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.866089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.866089 (E_RNA) where: Base-Base interactions energy: -1608.996 where: short stacking energy: -668.956 Base-Backbone interact. energy: 0.085 local terms energy: -686.955323 where: bonds (distance) C4'-P energy: -126.169 bonds (distance) P-C4' energy: -132.736 flat angles C4'-P-C4' energy: -148.130 flat angles P-C4'-P energy: -97.326 tors. eta vs tors. theta energy: -182.593 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: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2075.441385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.441385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.441385 (E_RNA) where: Base-Base interactions energy: -1400.005 where: short stacking energy: -609.934 Base-Backbone interact. energy: -0.932 local terms energy: -674.504607 where: bonds (distance) C4'-P energy: -135.560 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -142.888 flat angles P-C4'-P energy: -104.250 tors. eta vs tors. theta energy: -149.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1801.504240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.504240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.504240 (E_RNA) where: Base-Base interactions energy: -1166.871 where: short stacking energy: -497.782 Base-Backbone interact. energy: -3.232 local terms energy: -631.401056 where: bonds (distance) C4'-P energy: -126.733 bonds (distance) P-C4' energy: -136.637 flat angles C4'-P-C4' energy: -139.933 flat angles P-C4'-P energy: -103.817 tors. eta vs tors. theta energy: -124.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1658.471305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.471305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.471305 (E_RNA) where: Base-Base interactions energy: -1083.188 where: short stacking energy: -466.895 Base-Backbone interact. energy: 1.803 local terms energy: -577.086248 where: bonds (distance) C4'-P energy: -143.707 bonds (distance) P-C4' energy: -131.221 flat angles C4'-P-C4' energy: -137.114 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -93.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1208.373840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.373840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.373840 (E_RNA) where: Base-Base interactions energy: -742.158 where: short stacking energy: -365.098 Base-Backbone interact. energy: 1.071 local terms energy: -467.286805 where: bonds (distance) C4'-P energy: -106.564 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -136.658 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: -62.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -969.617792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.617792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.617792 (E_RNA) where: Base-Base interactions energy: -556.502 where: short stacking energy: -282.370 Base-Backbone interact. energy: -1.718 local terms energy: -411.397997 where: bonds (distance) C4'-P energy: -111.767 bonds (distance) P-C4' energy: -112.560 flat angles C4'-P-C4' energy: -93.988 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -37.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2762.292349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.292349 (E_RNA) where: Base-Base interactions energy: -1920.226 where: short stacking energy: -809.788 Base-Backbone interact. energy: 2.635 local terms energy: -844.701318 where: bonds (distance) C4'-P energy: -147.582 bonds (distance) P-C4' energy: -161.002 flat angles C4'-P-C4' energy: -177.131 flat angles P-C4'-P energy: -113.819 tors. eta vs tors. theta energy: -245.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2603.773021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.773021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.773021 (E_RNA) where: Base-Base interactions energy: -1822.030 where: short stacking energy: -762.464 Base-Backbone interact. energy: 5.233 local terms energy: -786.975625 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -148.229 flat angles C4'-P-C4' energy: -171.405 flat angles P-C4'-P energy: -105.026 tors. eta vs tors. theta energy: -226.150 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: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2533.033163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.033163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.033163 (E_RNA) where: Base-Base interactions energy: -1767.718 where: short stacking energy: -720.217 Base-Backbone interact. energy: -1.763 local terms energy: -763.551624 where: bonds (distance) C4'-P energy: -128.492 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -174.783 flat angles P-C4'-P energy: -101.454 tors. eta vs tors. theta energy: -212.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2396.270957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.270957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.270957 (E_RNA) where: Base-Base interactions energy: -1686.999 where: short stacking energy: -714.804 Base-Backbone interact. energy: -4.417 local terms energy: -704.855533 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -120.192 flat angles C4'-P-C4' energy: -162.931 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -198.159 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2303.322874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.322874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.322874 (E_RNA) where: Base-Base interactions energy: -1598.203 where: short stacking energy: -663.025 Base-Backbone interact. energy: 5.142 local terms energy: -710.261738 where: bonds (distance) C4'-P energy: -133.816 bonds (distance) P-C4' energy: -108.648 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -103.213 tors. eta vs tors. theta energy: -194.105 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: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2049.553417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.553417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.553417 (E_RNA) where: Base-Base interactions energy: -1392.819 where: short stacking energy: -612.710 Base-Backbone interact. energy: 1.706 local terms energy: -658.440406 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -123.865 flat angles C4'-P-C4' energy: -152.461 flat angles P-C4'-P energy: -96.709 tors. eta vs tors. theta energy: -148.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1760.367871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.367871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.367871 (E_RNA) where: Base-Base interactions energy: -1141.317 where: short stacking energy: -501.469 Base-Backbone interact. energy: -0.895 local terms energy: -618.155368 where: bonds (distance) C4'-P energy: -141.895 bonds (distance) P-C4' energy: -130.950 flat angles C4'-P-C4' energy: -132.427 flat angles P-C4'-P energy: -87.177 tors. eta vs tors. theta energy: -125.706 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: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1623.133054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.133054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.133054 (E_RNA) where: Base-Base interactions energy: -1063.937 where: short stacking energy: -481.839 Base-Backbone interact. energy: -0.218 local terms energy: -558.978025 where: bonds (distance) C4'-P energy: -116.635 bonds (distance) P-C4' energy: -130.986 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: -108.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1119.512183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.512183 (E_RNA) where: Base-Base interactions energy: -671.949 where: short stacking energy: -314.579 Base-Backbone interact. energy: 5.849 local terms energy: -453.411872 where: bonds (distance) C4'-P energy: -126.867 bonds (distance) P-C4' energy: -123.611 flat angles C4'-P-C4' energy: -122.307 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -29.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -999.621851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.621851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.621851 (E_RNA) where: Base-Base interactions energy: -544.360 where: short stacking energy: -281.780 Base-Backbone interact. energy: 2.333 local terms energy: -457.595459 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -120.791 flat angles P-C4'-P energy: -62.777 tors. eta vs tors. theta energy: -15.243 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: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2745.424058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.424058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.424058 (E_RNA) where: Base-Base interactions energy: -1933.416 where: short stacking energy: -828.042 Base-Backbone interact. energy: -1.977 local terms energy: -810.031373 where: bonds (distance) C4'-P energy: -147.035 bonds (distance) P-C4' energy: -139.355 flat angles C4'-P-C4' energy: -176.957 flat angles P-C4'-P energy: -107.117 tors. eta vs tors. theta energy: -239.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2605.866639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.866639 (E_RNA) where: Base-Base interactions energy: -1847.439 where: short stacking energy: -748.397 Base-Backbone interact. energy: -0.811 local terms energy: -757.616334 where: bonds (distance) C4'-P energy: -139.965 bonds (distance) P-C4' energy: -147.777 flat angles C4'-P-C4' energy: -164.421 flat angles P-C4'-P energy: -97.440 tors. eta vs tors. theta energy: -208.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2520.235451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.235451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.235451 (E_RNA) where: Base-Base interactions energy: -1761.471 where: short stacking energy: -686.068 Base-Backbone interact. energy: -3.403 local terms energy: -755.361100 where: bonds (distance) C4'-P energy: -145.381 bonds (distance) P-C4' energy: -135.871 flat angles C4'-P-C4' energy: -174.832 flat angles P-C4'-P energy: -95.752 tors. eta vs tors. theta energy: -203.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2355.866734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.866734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.866734 (E_RNA) where: Base-Base interactions energy: -1641.026 where: short stacking energy: -683.649 Base-Backbone interact. energy: 1.453 local terms energy: -716.293491 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -153.938 flat angles P-C4'-P energy: -101.004 tors. eta vs tors. theta energy: -187.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2277.551532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.551532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.551532 (E_RNA) where: Base-Base interactions energy: -1569.987 where: short stacking energy: -673.992 Base-Backbone interact. energy: 0.546 local terms energy: -708.110145 where: bonds (distance) C4'-P energy: -120.691 bonds (distance) P-C4' energy: -147.797 flat angles C4'-P-C4' energy: -149.700 flat angles P-C4'-P energy: -102.992 tors. eta vs tors. theta energy: -186.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2125.535471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.535471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.535471 (E_RNA) where: Base-Base interactions energy: -1432.157 where: short stacking energy: -609.735 Base-Backbone interact. energy: -2.491 local terms energy: -690.886932 where: bonds (distance) C4'-P energy: -137.801 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -138.240 flat angles P-C4'-P energy: -107.216 tors. eta vs tors. theta energy: -169.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1710.545538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.545538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.545538 (E_RNA) where: Base-Base interactions energy: -1100.550 where: short stacking energy: -483.296 Base-Backbone interact. energy: -0.036 local terms energy: -609.959826 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -132.803 flat angles C4'-P-C4' energy: -143.882 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -120.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1551.557240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.557240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.557240 (E_RNA) where: Base-Base interactions energy: -1049.895 where: short stacking energy: -443.461 Base-Backbone interact. energy: 1.966 local terms energy: -503.628202 where: bonds (distance) C4'-P energy: -92.084 bonds (distance) P-C4' energy: -136.288 flat angles C4'-P-C4' energy: -119.633 flat angles P-C4'-P energy: -64.813 tors. eta vs tors. theta energy: -90.810 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: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1151.510146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.510146 (E_RNA) where: Base-Base interactions energy: -724.424 where: short stacking energy: -333.606 Base-Backbone interact. energy: -0.728 local terms energy: -426.358611 where: bonds (distance) C4'-P energy: -105.480 bonds (distance) P-C4' energy: -123.167 flat angles C4'-P-C4' energy: -98.955 flat angles P-C4'-P energy: -67.978 tors. eta vs tors. theta energy: -30.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -994.248237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.248237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.248237 (E_RNA) where: Base-Base interactions energy: -566.877 where: short stacking energy: -263.094 Base-Backbone interact. energy: -0.412 local terms energy: -426.958996 where: bonds (distance) C4'-P energy: -116.112 bonds (distance) P-C4' energy: -127.718 flat angles C4'-P-C4' energy: -99.027 flat angles P-C4'-P energy: -67.854 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: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2760.720959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.720959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.720959 (E_RNA) where: Base-Base interactions energy: -1928.436 where: short stacking energy: -826.063 Base-Backbone interact. energy: -3.361 local terms energy: -828.923724 where: bonds (distance) C4'-P energy: -144.420 bonds (distance) P-C4' energy: -139.343 flat angles C4'-P-C4' energy: -184.384 flat angles P-C4'-P energy: -118.351 tors. eta vs tors. theta energy: -242.426 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: 483 Temperature: 0.950000 Total energy: -2603.842852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.842852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.842852 (E_RNA) where: Base-Base interactions energy: -1841.248 where: short stacking energy: -738.222 Base-Backbone interact. energy: -1.819 local terms energy: -760.775500 where: bonds (distance) C4'-P energy: -150.888 bonds (distance) P-C4' energy: -135.240 flat angles C4'-P-C4' energy: -164.222 flat angles P-C4'-P energy: -106.545 tors. eta vs tors. theta energy: -203.880 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: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2573.391321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.391321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.391321 (E_RNA) where: Base-Base interactions energy: -1799.713 where: short stacking energy: -739.760 Base-Backbone interact. energy: 7.227 local terms energy: -780.904927 where: bonds (distance) C4'-P energy: -146.034 bonds (distance) P-C4' energy: -147.700 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -102.151 tors. eta vs tors. theta energy: -215.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2333.339257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.339257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.339257 (E_RNA) where: Base-Base interactions energy: -1629.187 where: short stacking energy: -674.586 Base-Backbone interact. energy: -0.525 local terms energy: -703.627433 where: bonds (distance) C4'-P energy: -132.347 bonds (distance) P-C4' energy: -126.561 flat angles C4'-P-C4' energy: -164.829 flat angles P-C4'-P energy: -86.570 tors. eta vs tors. theta energy: -193.321 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: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2226.227766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.227766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.227766 (E_RNA) where: Base-Base interactions energy: -1558.341 where: short stacking energy: -650.388 Base-Backbone interact. energy: -0.361 local terms energy: -667.525971 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -116.127 flat angles C4'-P-C4' energy: -158.156 flat angles P-C4'-P energy: -101.218 tors. eta vs tors. theta energy: -174.318 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: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2152.314523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.314523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.314523 (E_RNA) where: Base-Base interactions energy: -1490.887 where: short stacking energy: -648.513 Base-Backbone interact. energy: -0.776 local terms energy: -660.651319 where: bonds (distance) C4'-P energy: -141.228 bonds (distance) P-C4' energy: -129.027 flat angles C4'-P-C4' energy: -140.798 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -169.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1667.386014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.386014 (E_RNA) where: Base-Base interactions energy: -1075.292 where: short stacking energy: -470.548 Base-Backbone interact. energy: -3.142 local terms energy: -588.952127 where: bonds (distance) C4'-P energy: -105.123 bonds (distance) P-C4' energy: -138.946 flat angles C4'-P-C4' energy: -146.660 flat angles P-C4'-P energy: -82.338 tors. eta vs tors. theta energy: -115.884 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: 483 Temperature: 1.250000 Total energy: -1545.783189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.783189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.783189 (E_RNA) where: Base-Base interactions energy: -1000.920 where: short stacking energy: -449.241 Base-Backbone interact. energy: -2.605 local terms energy: -542.258399 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -123.981 flat angles P-C4'-P energy: -77.941 tors. eta vs tors. theta energy: -106.369 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: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1143.421524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.421524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.421524 (E_RNA) where: Base-Base interactions energy: -707.670 where: short stacking energy: -313.771 Base-Backbone interact. energy: -3.096 local terms energy: -432.655276 where: bonds (distance) C4'-P energy: -111.854 bonds (distance) P-C4' energy: -106.879 flat angles C4'-P-C4' energy: -110.402 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -27.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1020.758808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.758808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.758808 (E_RNA) where: Base-Base interactions energy: -596.636 where: short stacking energy: -307.960 Base-Backbone interact. energy: 2.478 local terms energy: -426.600939 where: bonds (distance) C4'-P energy: -118.343 bonds (distance) P-C4' energy: -94.702 flat angles C4'-P-C4' energy: -113.367 flat angles P-C4'-P energy: -84.035 tors. eta vs tors. theta energy: -16.154 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: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2776.600520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.600520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.600520 (E_RNA) where: Base-Base interactions energy: -1944.239 where: short stacking energy: -829.273 Base-Backbone interact. energy: -4.430 local terms energy: -827.932124 where: bonds (distance) C4'-P energy: -137.969 bonds (distance) P-C4' energy: -149.885 flat angles C4'-P-C4' energy: -179.848 flat angles P-C4'-P energy: -123.353 tors. eta vs tors. theta energy: -236.877 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: 2, replica: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2617.008846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.008846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.008846 (E_RNA) where: Base-Base interactions energy: -1862.974 where: short stacking energy: -765.207 Base-Backbone interact. energy: -0.088 local terms energy: -753.947132 where: bonds (distance) C4'-P energy: -139.303 bonds (distance) P-C4' energy: -143.649 flat angles C4'-P-C4' energy: -164.775 flat angles P-C4'-P energy: -102.491 tors. eta vs tors. theta energy: -203.729 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: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2582.100179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.100179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.100179 (E_RNA) where: Base-Base interactions energy: -1820.971 where: short stacking energy: -740.891 Base-Backbone interact. energy: -4.241 local terms energy: -756.888858 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -149.627 flat angles C4'-P-C4' energy: -160.640 flat angles P-C4'-P energy: -105.432 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: 4, replica: 1 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2339.465119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.465119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.465119 (E_RNA) where: Base-Base interactions energy: -1592.510 where: short stacking energy: -688.942 Base-Backbone interact. energy: 1.190 local terms energy: -748.144601 where: bonds (distance) C4'-P energy: -137.519 bonds (distance) P-C4' energy: -143.027 flat angles C4'-P-C4' energy: -159.571 flat angles P-C4'-P energy: -108.949 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: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2286.702299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.702299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.702299 (E_RNA) where: Base-Base interactions energy: -1553.498 where: short stacking energy: -673.943 Base-Backbone interact. energy: -1.805 local terms energy: -731.398887 where: bonds (distance) C4'-P energy: -131.034 bonds (distance) P-C4' energy: -154.633 flat angles C4'-P-C4' energy: -149.926 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -197.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2117.050566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.050566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.050566 (E_RNA) where: Base-Base interactions energy: -1447.309 where: short stacking energy: -618.435 Base-Backbone interact. energy: -0.067 local terms energy: -669.673886 where: bonds (distance) C4'-P energy: -118.105 bonds (distance) P-C4' energy: -131.334 flat angles C4'-P-C4' energy: -147.780 flat angles P-C4'-P energy: -95.948 tors. eta vs tors. theta energy: -176.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1739.354776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.354776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.354776 (E_RNA) where: Base-Base interactions energy: -1163.811 where: short stacking energy: -527.521 Base-Backbone interact. energy: 0.681 local terms energy: -576.224833 where: bonds (distance) C4'-P energy: -114.657 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -141.387 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -134.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1527.025473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.025473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.025473 (E_RNA) where: Base-Base interactions energy: -998.804 where: short stacking energy: -459.116 Base-Backbone interact. energy: -2.739 local terms energy: -525.482345 where: bonds (distance) C4'-P energy: -98.078 bonds (distance) P-C4' energy: -126.831 flat angles C4'-P-C4' energy: -134.914 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -93.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1221.556165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.556165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.556165 (E_RNA) where: Base-Base interactions energy: -759.005 where: short stacking energy: -360.108 Base-Backbone interact. energy: -2.307 local terms energy: -460.244925 where: bonds (distance) C4'-P energy: -110.960 bonds (distance) P-C4' energy: -106.226 flat angles C4'-P-C4' energy: -101.889 flat angles P-C4'-P energy: -81.270 tors. eta vs tors. theta energy: -59.899 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: 484 Temperature: 1.350000 Total energy: -962.450175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.450175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.450175 (E_RNA) where: Base-Base interactions energy: -552.151 where: short stacking energy: -260.077 Base-Backbone interact. energy: -1.173 local terms energy: -409.125857 where: bonds (distance) C4'-P energy: -109.543 bonds (distance) P-C4' energy: -110.680 flat angles C4'-P-C4' energy: -109.065 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2756.290966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.290966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.290966 (E_RNA) where: Base-Base interactions energy: -1939.582 where: short stacking energy: -810.640 Base-Backbone interact. energy: -6.296 local terms energy: -810.413136 where: bonds (distance) C4'-P energy: -144.278 bonds (distance) P-C4' energy: -162.088 flat angles C4'-P-C4' energy: -161.557 flat angles P-C4'-P energy: -105.185 tors. eta vs tors. theta energy: -237.305 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: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2627.360931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.360931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.360931 (E_RNA) where: Base-Base interactions energy: -1858.555 where: short stacking energy: -756.884 Base-Backbone interact. energy: -0.300 local terms energy: -768.505877 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -176.873 flat angles P-C4'-P energy: -100.789 tors. eta vs tors. theta energy: -218.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2574.297461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.297461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.297461 (E_RNA) where: Base-Base interactions energy: -1796.139 where: short stacking energy: -728.375 Base-Backbone interact. energy: -3.381 local terms energy: -774.777397 where: bonds (distance) C4'-P energy: -145.823 bonds (distance) P-C4' energy: -139.338 flat angles C4'-P-C4' energy: -161.349 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -216.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2445.459168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.459168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.459168 (E_RNA) where: Base-Base interactions energy: -1696.364 where: short stacking energy: -711.305 Base-Backbone interact. energy: -0.163 local terms energy: -748.932612 where: bonds (distance) C4'-P energy: -129.835 bonds (distance) P-C4' energy: -149.459 flat angles C4'-P-C4' energy: -168.276 flat angles P-C4'-P energy: -103.675 tors. eta vs tors. theta energy: -197.689 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: 485 Temperature: 1.100000 Total energy: -2290.645212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.645212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.645212 (E_RNA) where: Base-Base interactions energy: -1583.461 where: short stacking energy: -685.786 Base-Backbone interact. energy: -1.185 local terms energy: -705.999866 where: bonds (distance) C4'-P energy: -135.904 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -162.575 flat angles P-C4'-P energy: -94.449 tors. eta vs tors. theta energy: -195.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2124.744927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.744927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.744927 (E_RNA) where: Base-Base interactions energy: -1463.942 where: short stacking energy: -630.604 Base-Backbone interact. energy: -1.787 local terms energy: -659.015372 where: bonds (distance) C4'-P energy: -125.239 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -142.640 flat angles P-C4'-P energy: -78.320 tors. eta vs tors. theta energy: -164.996 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: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1662.517562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.517562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.517562 (E_RNA) where: Base-Base interactions energy: -1088.578 where: short stacking energy: -493.160 Base-Backbone interact. energy: 0.901 local terms energy: -574.840978 where: bonds (distance) C4'-P energy: -115.453 bonds (distance) P-C4' energy: -119.405 flat angles C4'-P-C4' energy: -143.426 flat angles P-C4'-P energy: -86.237 tors. eta vs tors. theta energy: -110.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1553.386043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.386043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.386043 (E_RNA) where: Base-Base interactions energy: -1002.993 where: short stacking energy: -445.816 Base-Backbone interact. energy: -1.061 local terms energy: -549.332340 where: bonds (distance) C4'-P energy: -113.960 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -131.046 flat angles P-C4'-P energy: -79.680 tors. eta vs tors. theta energy: -104.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1265.917484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.917484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.917484 (E_RNA) where: Base-Base interactions energy: -783.504 where: short stacking energy: -402.905 Base-Backbone interact. energy: -0.144 local terms energy: -482.269346 where: bonds (distance) C4'-P energy: -121.176 bonds (distance) P-C4' energy: -106.150 flat angles C4'-P-C4' energy: -128.068 flat angles P-C4'-P energy: -66.376 tors. eta vs tors. theta energy: -60.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1006.528184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.528184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.528184 (E_RNA) where: Base-Base interactions energy: -566.769 where: short stacking energy: -302.836 Base-Backbone interact. energy: 0.227 local terms energy: -439.986105 where: bonds (distance) C4'-P energy: -119.277 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -124.348 flat angles P-C4'-P energy: -58.367 tors. eta vs tors. theta energy: -31.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2745.295819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.295819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.295819 (E_RNA) where: Base-Base interactions energy: -1916.035 where: short stacking energy: -816.986 Base-Backbone interact. energy: -3.979 local terms energy: -825.281699 where: bonds (distance) C4'-P energy: -140.200 bonds (distance) P-C4' energy: -158.342 flat angles C4'-P-C4' energy: -175.403 flat angles P-C4'-P energy: -111.241 tors. eta vs tors. theta energy: -240.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2634.666039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.666039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.666039 (E_RNA) where: Base-Base interactions energy: -1851.019 where: short stacking energy: -750.234 Base-Backbone interact. energy: -1.479 local terms energy: -782.168350 where: bonds (distance) C4'-P energy: -134.077 bonds (distance) P-C4' energy: -156.590 flat angles C4'-P-C4' energy: -170.710 flat angles P-C4'-P energy: -102.771 tors. eta vs tors. theta energy: -218.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2511.261323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.261323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.261323 (E_RNA) where: Base-Base interactions energy: -1775.629 where: short stacking energy: -724.936 Base-Backbone interact. energy: 1.324 local terms energy: -736.956346 where: bonds (distance) C4'-P energy: -127.630 bonds (distance) P-C4' energy: -139.082 flat angles C4'-P-C4' energy: -161.530 flat angles P-C4'-P energy: -103.798 tors. eta vs tors. theta energy: -204.917 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: 4, replica: 1 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2421.673233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.673233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.673233 (E_RNA) where: Base-Base interactions energy: -1677.715 where: short stacking energy: -704.720 Base-Backbone interact. energy: -3.634 local terms energy: -740.323562 where: bonds (distance) C4'-P energy: -130.556 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -160.494 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -201.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2280.076593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.076593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.076593 (E_RNA) where: Base-Base interactions energy: -1575.912 where: short stacking energy: -652.310 Base-Backbone interact. energy: -3.973 local terms energy: -700.191597 where: bonds (distance) C4'-P energy: -124.766 bonds (distance) P-C4' energy: -140.008 flat angles C4'-P-C4' energy: -164.799 flat angles P-C4'-P energy: -81.410 tors. eta vs tors. theta energy: -189.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2126.461917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.461917 (E_RNA) where: Base-Base interactions energy: -1469.996 where: short stacking energy: -608.478 Base-Backbone interact. energy: 1.234 local terms energy: -657.699312 where: bonds (distance) C4'-P energy: -124.565 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -149.195 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -153.193 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: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1768.001751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.001751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.001751 (E_RNA) where: Base-Base interactions energy: -1168.509 where: short stacking energy: -514.160 Base-Backbone interact. energy: 1.036 local terms energy: -600.528776 where: bonds (distance) C4'-P energy: -117.185 bonds (distance) P-C4' energy: -132.622 flat angles C4'-P-C4' energy: -147.264 flat angles P-C4'-P energy: -85.980 tors. eta vs tors. theta energy: -117.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1524.753983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.753983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.753983 (E_RNA) where: Base-Base interactions energy: -975.735 where: short stacking energy: -428.798 Base-Backbone interact. energy: -1.088 local terms energy: -547.930612 where: bonds (distance) C4'-P energy: -123.067 bonds (distance) P-C4' energy: -134.061 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -77.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1244.518758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.518758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.518758 (E_RNA) where: Base-Base interactions energy: -753.732 where: short stacking energy: -372.843 Base-Backbone interact. energy: 3.850 local terms energy: -494.636595 where: bonds (distance) C4'-P energy: -125.586 bonds (distance) P-C4' energy: -117.525 flat angles C4'-P-C4' energy: -131.618 flat angles P-C4'-P energy: -74.142 tors. eta vs tors. theta energy: -45.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -946.481586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.481586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.481586 (E_RNA) where: Base-Base interactions energy: -518.792 where: short stacking energy: -264.522 Base-Backbone interact. energy: -2.838 local terms energy: -424.851893 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -97.437 flat angles P-C4'-P energy: -83.027 tors. eta vs tors. theta energy: -12.401 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: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2794.729257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.729257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.729257 (E_RNA) where: Base-Base interactions energy: -1957.544 where: short stacking energy: -826.927 Base-Backbone interact. energy: -5.789 local terms energy: -831.395917 where: bonds (distance) C4'-P energy: -151.199 bonds (distance) P-C4' energy: -154.196 flat angles C4'-P-C4' energy: -173.455 flat angles P-C4'-P energy: -114.968 tors. eta vs tors. theta energy: -237.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2619.167561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.167561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.167561 (E_RNA) where: Base-Base interactions energy: -1833.617 where: short stacking energy: -742.963 Base-Backbone interact. energy: 3.927 local terms energy: -789.477953 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -157.204 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -110.607 tors. eta vs tors. theta energy: -209.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2530.718344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.718344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.718344 (E_RNA) where: Base-Base interactions energy: -1755.298 where: short stacking energy: -718.280 Base-Backbone interact. energy: 2.951 local terms energy: -778.370893 where: bonds (distance) C4'-P energy: -134.306 bonds (distance) P-C4' energy: -158.682 flat angles C4'-P-C4' energy: -167.894 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -209.720 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: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2413.615671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.615671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.615671 (E_RNA) where: Base-Base interactions energy: -1655.353 where: short stacking energy: -704.537 Base-Backbone interact. energy: 1.312 local terms energy: -759.574950 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -152.313 flat angles C4'-P-C4' energy: -161.979 flat angles P-C4'-P energy: -105.357 tors. eta vs tors. theta energy: -212.045 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: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2315.243659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.243659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.243659 (E_RNA) where: Base-Base interactions energy: -1599.691 where: short stacking energy: -704.866 Base-Backbone interact. energy: -2.951 local terms energy: -712.602453 where: bonds (distance) C4'-P energy: -137.283 bonds (distance) P-C4' energy: -124.154 flat angles C4'-P-C4' energy: -159.979 flat angles P-C4'-P energy: -93.380 tors. eta vs tors. theta energy: -197.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2087.421452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.421452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.421452 (E_RNA) where: Base-Base interactions energy: -1454.347 where: short stacking energy: -625.933 Base-Backbone interact. energy: -2.178 local terms energy: -630.896084 where: bonds (distance) C4'-P energy: -104.849 bonds (distance) P-C4' energy: -127.744 flat angles C4'-P-C4' energy: -159.822 flat angles P-C4'-P energy: -83.319 tors. eta vs tors. theta energy: -155.161 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: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1739.073513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.073513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.073513 (E_RNA) where: Base-Base interactions energy: -1134.596 where: short stacking energy: -499.030 Base-Backbone interact. energy: -2.584 local terms energy: -601.894202 where: bonds (distance) C4'-P energy: -119.358 bonds (distance) P-C4' energy: -131.938 flat angles C4'-P-C4' energy: -141.712 flat angles P-C4'-P energy: -93.435 tors. eta vs tors. theta energy: -115.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1489.031996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.031996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.031996 (E_RNA) where: Base-Base interactions energy: -966.690 where: short stacking energy: -444.100 Base-Backbone interact. energy: -3.229 local terms energy: -519.112948 where: bonds (distance) C4'-P energy: -100.888 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -125.181 flat angles P-C4'-P energy: -84.820 tors. eta vs tors. theta energy: -86.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1201.137612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.137612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.137612 (E_RNA) where: Base-Base interactions energy: -739.295 where: short stacking energy: -355.724 Base-Backbone interact. energy: 3.956 local terms energy: -465.798067 where: bonds (distance) C4'-P energy: -101.398 bonds (distance) P-C4' energy: -128.149 flat angles C4'-P-C4' energy: -116.498 flat angles P-C4'-P energy: -59.478 tors. eta vs tors. theta energy: -60.275 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: 487 Temperature: 1.350000 Total energy: -1011.424869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.424869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.424869 (E_RNA) where: Base-Base interactions energy: -577.414 where: short stacking energy: -292.967 Base-Backbone interact. energy: 0.840 local terms energy: -434.850993 where: bonds (distance) C4'-P energy: -110.399 bonds (distance) P-C4' energy: -122.425 flat angles C4'-P-C4' energy: -104.823 flat angles P-C4'-P energy: -59.124 tors. eta vs tors. theta energy: -38.080 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: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2749.515080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.515080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.515080 (E_RNA) where: Base-Base interactions energy: -1919.538 where: short stacking energy: -824.570 Base-Backbone interact. energy: -2.002 local terms energy: -827.974423 where: bonds (distance) C4'-P energy: -159.457 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -171.452 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -236.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2609.725024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.725024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.725024 (E_RNA) where: Base-Base interactions energy: -1827.769 where: short stacking energy: -763.951 Base-Backbone interact. energy: -1.474 local terms energy: -780.481893 where: bonds (distance) C4'-P energy: -148.656 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -171.155 flat angles P-C4'-P energy: -103.304 tors. eta vs tors. theta energy: -208.756 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: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2534.878336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.878336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.878336 (E_RNA) where: Base-Base interactions energy: -1775.630 where: short stacking energy: -724.650 Base-Backbone interact. energy: -2.747 local terms energy: -756.501182 where: bonds (distance) C4'-P energy: -129.888 bonds (distance) P-C4' energy: -148.924 flat angles C4'-P-C4' energy: -166.680 flat angles P-C4'-P energy: -99.903 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: 4, replica: 1 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2402.641713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.641713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.641713 (E_RNA) where: Base-Base interactions energy: -1687.967 where: short stacking energy: -720.412 Base-Backbone interact. energy: -0.683 local terms energy: -713.991701 where: bonds (distance) C4'-P energy: -134.264 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -153.935 flat angles P-C4'-P energy: -94.476 tors. eta vs tors. theta energy: -212.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2254.390285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.390285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.390285 (E_RNA) where: Base-Base interactions energy: -1561.444 where: short stacking energy: -674.787 Base-Backbone interact. energy: -0.896 local terms energy: -692.051138 where: bonds (distance) C4'-P energy: -136.859 bonds (distance) P-C4' energy: -134.154 flat angles C4'-P-C4' energy: -161.333 flat angles P-C4'-P energy: -72.209 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: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2084.789288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.789288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.789288 (E_RNA) where: Base-Base interactions energy: -1414.382 where: short stacking energy: -595.446 Base-Backbone interact. energy: -0.039 local terms energy: -670.368475 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -133.450 flat angles C4'-P-C4' energy: -142.397 flat angles P-C4'-P energy: -103.518 tors. eta vs tors. theta energy: -163.523 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: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1752.973124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.973124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.973124 (E_RNA) where: Base-Base interactions energy: -1155.074 where: short stacking energy: -503.272 Base-Backbone interact. energy: -0.738 local terms energy: -597.161799 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -125.541 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -132.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1498.232535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.232535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.232535 (E_RNA) where: Base-Base interactions energy: -945.110 where: short stacking energy: -413.512 Base-Backbone interact. energy: 0.050 local terms energy: -553.172183 where: bonds (distance) C4'-P energy: -130.356 bonds (distance) P-C4' energy: -123.363 flat angles C4'-P-C4' energy: -131.947 flat angles P-C4'-P energy: -74.919 tors. eta vs tors. theta energy: -92.586 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: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1234.309986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.309986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.309986 (E_RNA) where: Base-Base interactions energy: -776.602 where: short stacking energy: -387.360 Base-Backbone interact. energy: -1.369 local terms energy: -456.339127 where: bonds (distance) C4'-P energy: -103.042 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -45.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1024.456912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.456912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.456912 (E_RNA) where: Base-Base interactions energy: -550.385 where: short stacking energy: -258.171 Base-Backbone interact. energy: -2.432 local terms energy: -471.639331 where: bonds (distance) C4'-P energy: -121.519 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -109.114 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -26.234 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: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2744.688959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.688959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.688959 (E_RNA) where: Base-Base interactions energy: -1929.037 where: short stacking energy: -812.879 Base-Backbone interact. energy: -3.922 local terms energy: -811.729650 where: bonds (distance) C4'-P energy: -146.011 bonds (distance) P-C4' energy: -135.018 flat angles C4'-P-C4' energy: -175.115 flat angles P-C4'-P energy: -118.305 tors. eta vs tors. theta energy: -237.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2602.115918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.115918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.115918 (E_RNA) where: Base-Base interactions energy: -1826.846 where: short stacking energy: -764.002 Base-Backbone interact. energy: -4.051 local terms energy: -771.219258 where: bonds (distance) C4'-P energy: -147.499 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -161.249 flat angles P-C4'-P energy: -106.736 tors. eta vs tors. theta energy: -213.577 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: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2533.005507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.005507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.005507 (E_RNA) where: Base-Base interactions energy: -1772.234 where: short stacking energy: -725.173 Base-Backbone interact. energy: -4.835 local terms energy: -755.936372 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -130.483 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -119.818 tors. eta vs tors. theta energy: -212.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2393.614021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.614021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.614021 (E_RNA) where: Base-Base interactions energy: -1632.896 where: short stacking energy: -702.585 Base-Backbone interact. energy: -0.868 local terms energy: -759.850397 where: bonds (distance) C4'-P energy: -127.093 bonds (distance) P-C4' energy: -149.267 flat angles C4'-P-C4' energy: -158.567 flat angles P-C4'-P energy: -117.489 tors. eta vs tors. theta energy: -207.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2307.547189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.547189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.547189 (E_RNA) where: Base-Base interactions energy: -1587.102 where: short stacking energy: -682.715 Base-Backbone interact. energy: -1.349 local terms energy: -719.096251 where: bonds (distance) C4'-P energy: -124.134 bonds (distance) P-C4' energy: -134.258 flat angles C4'-P-C4' energy: -159.552 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -201.281 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: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2089.509612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.509612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.509612 (E_RNA) where: Base-Base interactions energy: -1405.340 where: short stacking energy: -600.628 Base-Backbone interact. energy: -2.569 local terms energy: -681.601319 where: bonds (distance) C4'-P energy: -122.475 bonds (distance) P-C4' energy: -139.514 flat angles C4'-P-C4' energy: -163.770 flat angles P-C4'-P energy: -94.008 tors. eta vs tors. theta energy: -161.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1737.725841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.725841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.725841 (E_RNA) where: Base-Base interactions energy: -1144.710 where: short stacking energy: -488.789 Base-Backbone interact. energy: -2.167 local terms energy: -590.848807 where: bonds (distance) C4'-P energy: -138.222 bonds (distance) P-C4' energy: -120.167 flat angles C4'-P-C4' energy: -132.483 flat angles P-C4'-P energy: -73.797 tors. eta vs tors. theta energy: -126.180 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: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1551.118163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.118163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.118163 (E_RNA) where: Base-Base interactions energy: -987.890 where: short stacking energy: -449.645 Base-Backbone interact. energy: 0.062 local terms energy: -563.290105 where: bonds (distance) C4'-P energy: -122.522 bonds (distance) P-C4' energy: -116.835 flat angles C4'-P-C4' energy: -138.671 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -107.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1214.857387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.857387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.857387 (E_RNA) where: Base-Base interactions energy: -744.724 where: short stacking energy: -343.929 Base-Backbone interact. energy: -3.668 local terms energy: -466.465904 where: bonds (distance) C4'-P energy: -119.203 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -108.178 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -51.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1109.619046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.619046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.619046 (E_RNA) where: Base-Base interactions energy: -651.250 where: short stacking energy: -308.723 Base-Backbone interact. energy: -1.870 local terms energy: -456.498610 where: bonds (distance) C4'-P energy: -117.632 bonds (distance) P-C4' energy: -135.712 flat angles C4'-P-C4' energy: -103.965 flat angles P-C4'-P energy: -67.129 tors. eta vs tors. theta energy: -32.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2762.866964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.866964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.866964 (E_RNA) where: Base-Base interactions energy: -1923.256 where: short stacking energy: -806.340 Base-Backbone interact. energy: 2.961 local terms energy: -842.572104 where: bonds (distance) C4'-P energy: -145.155 bonds (distance) P-C4' energy: -158.058 flat angles C4'-P-C4' energy: -181.770 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -237.638 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: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2637.571003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.571003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.571003 (E_RNA) where: Base-Base interactions energy: -1845.032 where: short stacking energy: -758.833 Base-Backbone interact. energy: 7.050 local terms energy: -799.588557 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -168.630 flat angles P-C4'-P energy: -125.782 tors. eta vs tors. theta energy: -218.306 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: 10 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2544.000335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.000335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.000335 (E_RNA) where: Base-Base interactions energy: -1800.722 where: short stacking energy: -741.511 Base-Backbone interact. energy: -2.789 local terms energy: -740.489603 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -139.597 flat angles C4'-P-C4' energy: -159.414 flat angles P-C4'-P energy: -100.748 tors. eta vs tors. theta energy: -213.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2373.769858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.769858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.769858 (E_RNA) where: Base-Base interactions energy: -1639.070 where: short stacking energy: -705.403 Base-Backbone interact. energy: 0.726 local terms energy: -735.426110 where: bonds (distance) C4'-P energy: -146.817 bonds (distance) P-C4' energy: -135.465 flat angles C4'-P-C4' energy: -162.614 flat angles P-C4'-P energy: -94.234 tors. eta vs tors. theta energy: -196.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2284.785092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.785092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.785092 (E_RNA) where: Base-Base interactions energy: -1536.490 where: short stacking energy: -671.734 Base-Backbone interact. energy: 0.517 local terms energy: -748.811949 where: bonds (distance) C4'-P energy: -141.858 bonds (distance) P-C4' energy: -142.880 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -107.071 tors. eta vs tors. theta energy: -195.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2095.159910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.159910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.159910 (E_RNA) where: Base-Base interactions energy: -1437.612 where: short stacking energy: -613.898 Base-Backbone interact. energy: -4.825 local terms energy: -652.723149 where: bonds (distance) C4'-P energy: -115.551 bonds (distance) P-C4' energy: -133.424 flat angles C4'-P-C4' energy: -149.975 flat angles P-C4'-P energy: -99.358 tors. eta vs tors. theta energy: -154.415 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: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1767.650224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.650224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.650224 (E_RNA) where: Base-Base interactions energy: -1164.846 where: short stacking energy: -522.072 Base-Backbone interact. energy: 3.153 local terms energy: -605.957061 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -138.127 flat angles P-C4'-P energy: -96.276 tors. eta vs tors. theta energy: -126.802 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: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1600.537569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.537569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.537569 (E_RNA) where: Base-Base interactions energy: -994.062 where: short stacking energy: -433.271 Base-Backbone interact. energy: 4.658 local terms energy: -611.132975 where: bonds (distance) C4'-P energy: -145.104 bonds (distance) P-C4' energy: -141.948 flat angles C4'-P-C4' energy: -135.642 flat angles P-C4'-P energy: -91.439 tors. eta vs tors. theta energy: -96.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1213.523806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.523806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.523806 (E_RNA) where: Base-Base interactions energy: -742.076 where: short stacking energy: -339.263 Base-Backbone interact. energy: 1.394 local terms energy: -472.841595 where: bonds (distance) C4'-P energy: -135.031 bonds (distance) P-C4' energy: -111.549 flat angles C4'-P-C4' energy: -118.278 flat angles P-C4'-P energy: -67.609 tors. eta vs tors. theta energy: -40.375 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: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1109.108790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.108790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.108790 (E_RNA) where: Base-Base interactions energy: -666.133 where: short stacking energy: -328.760 Base-Backbone interact. energy: -0.413 local terms energy: -442.562839 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -123.232 flat angles C4'-P-C4' energy: -106.989 flat angles P-C4'-P energy: -76.478 tors. eta vs tors. theta energy: -40.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2752.098073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.098073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.098073 (E_RNA) where: Base-Base interactions energy: -1927.851 where: short stacking energy: -810.344 Base-Backbone interact. energy: -1.733 local terms energy: -822.514643 where: bonds (distance) C4'-P energy: -154.930 bonds (distance) P-C4' energy: -145.584 flat angles C4'-P-C4' energy: -168.332 flat angles P-C4'-P energy: -120.818 tors. eta vs tors. theta energy: -232.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2629.832374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.832374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.832374 (E_RNA) where: Base-Base interactions energy: -1839.469 where: short stacking energy: -772.663 Base-Backbone interact. energy: -3.307 local terms energy: -787.056960 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -154.045 flat angles C4'-P-C4' energy: -171.392 flat angles P-C4'-P energy: -105.663 tors. eta vs tors. theta energy: -213.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2493.470118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.470118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.470118 (E_RNA) where: Base-Base interactions energy: -1756.699 where: short stacking energy: -692.851 Base-Backbone interact. energy: -3.285 local terms energy: -733.486179 where: bonds (distance) C4'-P energy: -133.244 bonds (distance) P-C4' energy: -136.206 flat angles C4'-P-C4' energy: -153.025 flat angles P-C4'-P energy: -111.828 tors. eta vs tors. theta energy: -199.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2388.821894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.821894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.821894 (E_RNA) where: Base-Base interactions energy: -1666.281 where: short stacking energy: -683.261 Base-Backbone interact. energy: -0.002 local terms energy: -722.538341 where: bonds (distance) C4'-P energy: -142.514 bonds (distance) P-C4' energy: -120.966 flat angles C4'-P-C4' energy: -156.980 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -198.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2239.782821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.782821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.782821 (E_RNA) where: Base-Base interactions energy: -1529.693 where: short stacking energy: -645.015 Base-Backbone interact. energy: -1.541 local terms energy: -708.549304 where: bonds (distance) C4'-P energy: -137.005 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -152.985 flat angles P-C4'-P energy: -103.448 tors. eta vs tors. theta energy: -178.126 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: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2011.865257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.865257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.865257 (E_RNA) where: Base-Base interactions energy: -1382.580 where: short stacking energy: -588.451 Base-Backbone interact. energy: -1.269 local terms energy: -628.016414 where: bonds (distance) C4'-P energy: -109.600 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -140.461 flat angles P-C4'-P energy: -94.240 tors. eta vs tors. theta energy: -151.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1734.097218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.097218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.097218 (E_RNA) where: Base-Base interactions energy: -1160.042 where: short stacking energy: -502.812 Base-Backbone interact. energy: -0.389 local terms energy: -573.665647 where: bonds (distance) C4'-P energy: -112.574 bonds (distance) P-C4' energy: -133.853 flat angles C4'-P-C4' energy: -138.934 flat angles P-C4'-P energy: -78.767 tors. eta vs tors. theta energy: -109.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1523.235052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.235052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.235052 (E_RNA) where: Base-Base interactions energy: -989.924 where: short stacking energy: -432.651 Base-Backbone interact. energy: -0.849 local terms energy: -532.462099 where: bonds (distance) C4'-P energy: -128.586 bonds (distance) P-C4' energy: -121.707 flat angles C4'-P-C4' energy: -124.325 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: -87.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1186.337319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.337319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.337319 (E_RNA) where: Base-Base interactions energy: -730.645 where: short stacking energy: -355.150 Base-Backbone interact. energy: -0.165 local terms energy: -455.527991 where: bonds (distance) C4'-P energy: -113.850 bonds (distance) P-C4' energy: -114.787 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -66.967 tors. eta vs tors. theta energy: -42.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1022.287099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.287099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.287099 (E_RNA) where: Base-Base interactions energy: -559.504 where: short stacking energy: -272.034 Base-Backbone interact. energy: -1.331 local terms energy: -461.452359 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -125.577 flat angles C4'-P-C4' energy: -124.069 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2769.889781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.889781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.889781 (E_RNA) where: Base-Base interactions energy: -1954.535 where: short stacking energy: -803.257 Base-Backbone interact. energy: -3.542 local terms energy: -811.812512 where: bonds (distance) C4'-P energy: -124.228 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -177.341 flat angles P-C4'-P energy: -118.088 tors. eta vs tors. theta energy: -234.526 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: 492 Temperature: 0.950000 Total energy: -2638.396762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.396762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.396762 (E_RNA) where: Base-Base interactions energy: -1858.025 where: short stacking energy: -789.597 Base-Backbone interact. energy: -1.192 local terms energy: -779.179401 where: bonds (distance) C4'-P energy: -147.207 bonds (distance) P-C4' energy: -138.194 flat angles C4'-P-C4' energy: -171.273 flat angles P-C4'-P energy: -109.958 tors. eta vs tors. theta energy: -212.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2512.830967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.830967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.830967 (E_RNA) where: Base-Base interactions energy: -1757.399 where: short stacking energy: -703.283 Base-Backbone interact. energy: -0.981 local terms energy: -754.450035 where: bonds (distance) C4'-P energy: -143.317 bonds (distance) P-C4' energy: -142.985 flat angles C4'-P-C4' energy: -156.628 flat angles P-C4'-P energy: -104.396 tors. eta vs tors. theta energy: -207.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2379.507850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.507850 (E_RNA) where: Base-Base interactions energy: -1652.571 where: short stacking energy: -676.741 Base-Backbone interact. energy: -4.314 local terms energy: -722.622037 where: bonds (distance) C4'-P energy: -143.298 bonds (distance) P-C4' energy: -133.499 flat angles C4'-P-C4' energy: -167.018 flat angles P-C4'-P energy: -81.498 tors. eta vs tors. theta energy: -197.310 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: 492 Temperature: 1.100000 Total energy: -2287.949287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.949287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.949287 (E_RNA) where: Base-Base interactions energy: -1577.513 where: short stacking energy: -687.678 Base-Backbone interact. energy: -1.361 local terms energy: -709.075923 where: bonds (distance) C4'-P energy: -138.803 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -141.396 flat angles P-C4'-P energy: -87.449 tors. eta vs tors. theta energy: -200.510 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: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1974.289825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.289825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.289825 (E_RNA) where: Base-Base interactions energy: -1311.496 where: short stacking energy: -555.845 Base-Backbone interact. energy: -1.360 local terms energy: -661.433613 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -128.958 flat angles C4'-P-C4' energy: -151.550 flat angles P-C4'-P energy: -103.059 tors. eta vs tors. theta energy: -143.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1769.859139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.859139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.859139 (E_RNA) where: Base-Base interactions energy: -1162.032 where: short stacking energy: -500.642 Base-Backbone interact. energy: 0.657 local terms energy: -608.484066 where: bonds (distance) C4'-P energy: -136.437 bonds (distance) P-C4' energy: -130.578 flat angles C4'-P-C4' energy: -154.252 flat angles P-C4'-P energy: -83.510 tors. eta vs tors. theta energy: -103.706 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: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1535.267248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.267248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.267248 (E_RNA) where: Base-Base interactions energy: -1016.849 where: short stacking energy: -457.550 Base-Backbone interact. energy: -2.431 local terms energy: -515.986589 where: bonds (distance) C4'-P energy: -125.595 bonds (distance) P-C4' energy: -126.906 flat angles C4'-P-C4' energy: -112.458 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -81.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1285.997660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.997660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.997660 (E_RNA) where: Base-Base interactions energy: -811.060 where: short stacking energy: -373.183 Base-Backbone interact. energy: 13.323 local terms energy: -488.260936 where: bonds (distance) C4'-P energy: -109.656 bonds (distance) P-C4' energy: -126.097 flat angles C4'-P-C4' energy: -111.222 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -61.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1002.276998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.276998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.276998 (E_RNA) where: Base-Base interactions energy: -584.732 where: short stacking energy: -282.929 Base-Backbone interact. energy: -0.284 local terms energy: -417.261361 where: bonds (distance) C4'-P energy: -91.102 bonds (distance) P-C4' energy: -123.284 flat angles C4'-P-C4' energy: -124.173 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: -15.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2764.688412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.688412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.688412 (E_RNA) where: Base-Base interactions energy: -1966.400 where: short stacking energy: -826.057 Base-Backbone interact. energy: -5.743 local terms energy: -792.546042 where: bonds (distance) C4'-P energy: -143.564 bonds (distance) P-C4' energy: -132.872 flat angles C4'-P-C4' energy: -183.931 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -226.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2651.672187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.672187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.672187 (E_RNA) where: Base-Base interactions energy: -1847.115 where: short stacking energy: -778.926 Base-Backbone interact. energy: 1.776 local terms energy: -806.333507 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -147.108 flat angles C4'-P-C4' energy: -180.021 flat angles P-C4'-P energy: -122.183 tors. eta vs tors. theta energy: -215.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2527.804993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.804993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.804993 (E_RNA) where: Base-Base interactions energy: -1783.124 where: short stacking energy: -726.146 Base-Backbone interact. energy: 1.431 local terms energy: -746.111729 where: bonds (distance) C4'-P energy: -144.647 bonds (distance) P-C4' energy: -149.859 flat angles C4'-P-C4' energy: -151.488 flat angles P-C4'-P energy: -97.761 tors. eta vs tors. theta energy: -202.357 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: 4, replica: 1 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2429.257120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.257120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.257120 (E_RNA) where: Base-Base interactions energy: -1681.420 where: short stacking energy: -709.911 Base-Backbone interact. energy: -2.811 local terms energy: -745.026513 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -131.439 flat angles C4'-P-C4' energy: -159.865 flat angles P-C4'-P energy: -117.152 tors. eta vs tors. theta energy: -205.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2254.203236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.203236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.203236 (E_RNA) where: Base-Base interactions energy: -1569.138 where: short stacking energy: -698.419 Base-Backbone interact. energy: -3.380 local terms energy: -681.685226 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -180.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1962.357261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.357261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.357261 (E_RNA) where: Base-Base interactions energy: -1317.948 where: short stacking energy: -550.928 Base-Backbone interact. energy: -1.202 local terms energy: -643.207028 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -132.884 flat angles C4'-P-C4' energy: -142.079 flat angles P-C4'-P energy: -101.073 tors. eta vs tors. theta energy: -137.010 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: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1773.854100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.854100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.854100 (E_RNA) where: Base-Base interactions energy: -1186.609 where: short stacking energy: -523.419 Base-Backbone interact. energy: 0.915 local terms energy: -588.159909 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -129.760 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -133.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1524.701186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.701186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.701186 (E_RNA) where: Base-Base interactions energy: -983.817 where: short stacking energy: -410.198 Base-Backbone interact. energy: -4.351 local terms energy: -536.533410 where: bonds (distance) C4'-P energy: -112.098 bonds (distance) P-C4' energy: -133.361 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -78.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1292.904977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.904977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.904977 (E_RNA) where: Base-Base interactions energy: -787.918 where: short stacking energy: -381.830 Base-Backbone interact. energy: 2.595 local terms energy: -507.582086 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -120.662 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -79.957 tors. eta vs tors. theta energy: -57.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1037.232893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.232893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.232893 (E_RNA) where: Base-Base interactions energy: -612.793 where: short stacking energy: -290.900 Base-Backbone interact. energy: -2.150 local terms energy: -422.289921 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -123.814 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -73.158 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2776.390579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.390579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.390579 (E_RNA) where: Base-Base interactions energy: -1942.307 where: short stacking energy: -823.772 Base-Backbone interact. energy: -3.684 local terms energy: -830.399021 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -153.539 flat angles C4'-P-C4' energy: -183.428 flat angles P-C4'-P energy: -117.055 tors. eta vs tors. theta energy: -238.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2685.325122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.325122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.325122 (E_RNA) where: Base-Base interactions energy: -1873.353 where: short stacking energy: -756.368 Base-Backbone interact. energy: 1.507 local terms energy: -813.478594 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -158.854 flat angles C4'-P-C4' energy: -168.407 flat angles P-C4'-P energy: -124.406 tors. eta vs tors. theta energy: -223.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2548.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.743340 (E_RNA) where: Base-Base interactions energy: -1792.460 where: short stacking energy: -747.205 Base-Backbone interact. energy: -2.103 local terms energy: -754.180253 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -134.839 flat angles C4'-P-C4' energy: -163.331 flat angles P-C4'-P energy: -115.124 tors. eta vs tors. theta energy: -209.901 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: 1 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2448.964559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.964559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.964559 (E_RNA) where: Base-Base interactions energy: -1697.203 where: short stacking energy: -722.005 Base-Backbone interact. energy: -2.273 local terms energy: -749.488801 where: bonds (distance) C4'-P energy: -131.426 bonds (distance) P-C4' energy: -150.776 flat angles C4'-P-C4' energy: -164.537 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -215.209 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: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2205.750026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.750026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.750026 (E_RNA) where: Base-Base interactions energy: -1512.739 where: short stacking energy: -662.797 Base-Backbone interact. energy: 1.566 local terms energy: -694.577363 where: bonds (distance) C4'-P energy: -128.142 bonds (distance) P-C4' energy: -134.161 flat angles C4'-P-C4' energy: -152.350 flat angles P-C4'-P energy: -88.847 tors. eta vs tors. theta energy: -191.077 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: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1957.005897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.005897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.005897 (E_RNA) where: Base-Base interactions energy: -1328.563 where: short stacking energy: -576.211 Base-Backbone interact. energy: -2.281 local terms energy: -626.161734 where: bonds (distance) C4'-P energy: -134.651 bonds (distance) P-C4' energy: -112.389 flat angles C4'-P-C4' energy: -137.662 flat angles P-C4'-P energy: -94.729 tors. eta vs tors. theta energy: -146.730 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: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1805.220339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.220339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.220339 (E_RNA) where: Base-Base interactions energy: -1230.999 where: short stacking energy: -547.858 Base-Backbone interact. energy: -0.900 local terms energy: -573.321244 where: bonds (distance) C4'-P energy: -107.860 bonds (distance) P-C4' energy: -117.571 flat angles C4'-P-C4' energy: -136.084 flat angles P-C4'-P energy: -80.407 tors. eta vs tors. theta energy: -131.399 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: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1480.393227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.393227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.393227 (E_RNA) where: Base-Base interactions energy: -940.994 where: short stacking energy: -425.697 Base-Backbone interact. energy: 3.465 local terms energy: -542.865130 where: bonds (distance) C4'-P energy: -112.949 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -143.211 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -105.972 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: 9, replica: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1332.681463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.681463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.681463 (E_RNA) where: Base-Base interactions energy: -809.166 where: short stacking energy: -386.442 Base-Backbone interact. energy: -1.939 local terms energy: -521.576551 where: bonds (distance) C4'-P energy: -117.880 bonds (distance) P-C4' energy: -114.271 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -71.042 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: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1014.697957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.697957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.697957 (E_RNA) where: Base-Base interactions energy: -564.680 where: short stacking energy: -262.654 Base-Backbone interact. energy: 0.728 local terms energy: -450.746554 where: bonds (distance) C4'-P energy: -98.824 bonds (distance) P-C4' energy: -124.098 flat angles C4'-P-C4' energy: -120.018 flat angles P-C4'-P energy: -81.604 tors. eta vs tors. theta energy: -26.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2758.713766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.713766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.713766 (E_RNA) where: Base-Base interactions energy: -1943.560 where: short stacking energy: -815.468 Base-Backbone interact. energy: -4.597 local terms energy: -810.557443 where: bonds (distance) C4'-P energy: -129.559 bonds (distance) P-C4' energy: -147.771 flat angles C4'-P-C4' energy: -180.249 flat angles P-C4'-P energy: -117.370 tors. eta vs tors. theta energy: -235.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2669.222535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.222535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.222535 (E_RNA) where: Base-Base interactions energy: -1897.842 where: short stacking energy: -788.071 Base-Backbone interact. energy: -3.864 local terms energy: -767.516216 where: bonds (distance) C4'-P energy: -127.835 bonds (distance) P-C4' energy: -147.110 flat angles C4'-P-C4' energy: -162.033 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -221.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2513.213244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.213244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.213244 (E_RNA) where: Base-Base interactions energy: -1755.292 where: short stacking energy: -703.163 Base-Backbone interact. energy: -3.284 local terms energy: -754.637701 where: bonds (distance) C4'-P energy: -145.289 bonds (distance) P-C4' energy: -129.252 flat angles C4'-P-C4' energy: -173.958 flat angles P-C4'-P energy: -102.350 tors. eta vs tors. theta energy: -203.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2406.260894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.260894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.260894 (E_RNA) where: Base-Base interactions energy: -1651.555 where: short stacking energy: -720.786 Base-Backbone interact. energy: -1.630 local terms energy: -753.076090 where: bonds (distance) C4'-P energy: -132.287 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -169.142 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -203.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2213.524756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.524756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.524756 (E_RNA) where: Base-Base interactions energy: -1499.116 where: short stacking energy: -639.767 Base-Backbone interact. energy: -1.694 local terms energy: -712.714498 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -136.289 flat angles C4'-P-C4' energy: -159.741 flat angles P-C4'-P energy: -108.399 tors. eta vs tors. theta energy: -182.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1988.724162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.724162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.724162 (E_RNA) where: Base-Base interactions energy: -1377.307 where: short stacking energy: -559.167 Base-Backbone interact. energy: -3.007 local terms energy: -608.409900 where: bonds (distance) C4'-P energy: -125.753 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -149.188 flat angles P-C4'-P energy: -87.083 tors. eta vs tors. theta energy: -125.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1755.552627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.552627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.552627 (E_RNA) where: Base-Base interactions energy: -1146.962 where: short stacking energy: -492.698 Base-Backbone interact. energy: -2.470 local terms energy: -606.120544 where: bonds (distance) C4'-P energy: -132.577 bonds (distance) P-C4' energy: -125.929 flat angles C4'-P-C4' energy: -140.281 flat angles P-C4'-P energy: -89.818 tors. eta vs tors. theta energy: -117.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1493.605351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.605351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.605351 (E_RNA) where: Base-Base interactions energy: -938.830 where: short stacking energy: -424.568 Base-Backbone interact. energy: -3.074 local terms energy: -551.701290 where: bonds (distance) C4'-P energy: -137.560 bonds (distance) P-C4' energy: -123.693 flat angles C4'-P-C4' energy: -116.723 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -85.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1344.981590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.981590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.981590 (E_RNA) where: Base-Base interactions energy: -820.488 where: short stacking energy: -369.598 Base-Backbone interact. energy: 5.083 local terms energy: -529.576790 where: bonds (distance) C4'-P energy: -135.844 bonds (distance) P-C4' energy: -121.794 flat angles C4'-P-C4' energy: -125.298 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -68.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1021.418563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.418563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.418563 (E_RNA) where: Base-Base interactions energy: -583.595 where: short stacking energy: -272.530 Base-Backbone interact. energy: -2.912 local terms energy: -434.911847 where: bonds (distance) C4'-P energy: -114.025 bonds (distance) P-C4' energy: -106.105 flat angles C4'-P-C4' energy: -121.946 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -20.336 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: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2769.539323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.539323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.539323 (E_RNA) where: Base-Base interactions energy: -1967.220 where: short stacking energy: -825.846 Base-Backbone interact. energy: -2.873 local terms energy: -799.446038 where: bonds (distance) C4'-P energy: -147.820 bonds (distance) P-C4' energy: -127.550 flat angles C4'-P-C4' energy: -170.308 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -237.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2647.094197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.094197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.094197 (E_RNA) where: Base-Base interactions energy: -1865.240 where: short stacking energy: -744.618 Base-Backbone interact. energy: -3.645 local terms energy: -778.208899 where: bonds (distance) C4'-P energy: -147.411 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -163.830 flat angles P-C4'-P energy: -109.782 tors. eta vs tors. theta energy: -217.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2528.624621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.624621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.624621 (E_RNA) where: Base-Base interactions energy: -1759.006 where: short stacking energy: -731.349 Base-Backbone interact. energy: -1.184 local terms energy: -768.435115 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -178.497 flat angles P-C4'-P energy: -122.397 tors. eta vs tors. theta energy: -210.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2422.611816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.611816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.611816 (E_RNA) where: Base-Base interactions energy: -1641.755 where: short stacking energy: -704.740 Base-Backbone interact. energy: -0.377 local terms energy: -780.479511 where: bonds (distance) C4'-P energy: -157.268 bonds (distance) P-C4' energy: -145.140 flat angles C4'-P-C4' energy: -170.239 flat angles P-C4'-P energy: -101.579 tors. eta vs tors. theta energy: -206.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2192.124513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.124513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.124513 (E_RNA) where: Base-Base interactions energy: -1494.656 where: short stacking energy: -627.136 Base-Backbone interact. energy: -1.542 local terms energy: -695.926704 where: bonds (distance) C4'-P energy: -130.722 bonds (distance) P-C4' energy: -135.118 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -106.546 tors. eta vs tors. theta energy: -167.641 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: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2037.655264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.655264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.655264 (E_RNA) where: Base-Base interactions energy: -1355.404 where: short stacking energy: -566.423 Base-Backbone interact. energy: -3.689 local terms energy: -678.562099 where: bonds (distance) C4'-P energy: -134.029 bonds (distance) P-C4' energy: -148.138 flat angles C4'-P-C4' energy: -138.320 flat angles P-C4'-P energy: -98.523 tors. eta vs tors. theta energy: -159.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1709.064892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.064892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.064892 (E_RNA) where: Base-Base interactions energy: -1103.376 where: short stacking energy: -489.658 Base-Backbone interact. energy: 3.383 local terms energy: -609.072570 where: bonds (distance) C4'-P energy: -126.616 bonds (distance) P-C4' energy: -131.528 flat angles C4'-P-C4' energy: -140.793 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -118.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1475.437520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.437520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.437520 (E_RNA) where: Base-Base interactions energy: -946.822 where: short stacking energy: -418.985 Base-Backbone interact. energy: -1.477 local terms energy: -527.138474 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -113.502 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -77.744 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: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1290.667399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.667399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.667399 (E_RNA) where: Base-Base interactions energy: -818.913 where: short stacking energy: -379.181 Base-Backbone interact. energy: -1.281 local terms energy: -470.474136 where: bonds (distance) C4'-P energy: -102.150 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -115.871 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -58.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1015.794541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.794541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.794541 (E_RNA) where: Base-Base interactions energy: -579.119 where: short stacking energy: -274.603 Base-Backbone interact. energy: 0.546 local terms energy: -437.221837 where: bonds (distance) C4'-P energy: -125.679 bonds (distance) P-C4' energy: -139.895 flat angles C4'-P-C4' energy: -99.660 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -11.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2752.422978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.422978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.422978 (E_RNA) where: Base-Base interactions energy: -1926.835 where: short stacking energy: -810.029 Base-Backbone interact. energy: -3.265 local terms energy: -822.322291 where: bonds (distance) C4'-P energy: -141.286 bonds (distance) P-C4' energy: -152.575 flat angles C4'-P-C4' energy: -174.173 flat angles P-C4'-P energy: -115.868 tors. eta vs tors. theta energy: -238.421 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: 497 Temperature: 0.950000 Total energy: -2658.692833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.692833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.692833 (E_RNA) where: Base-Base interactions energy: -1870.835 where: short stacking energy: -779.230 Base-Backbone interact. energy: -0.663 local terms energy: -787.195200 where: bonds (distance) C4'-P energy: -143.422 bonds (distance) P-C4' energy: -148.242 flat angles C4'-P-C4' energy: -160.485 flat angles P-C4'-P energy: -116.005 tors. eta vs tors. theta energy: -219.042 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: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2574.827478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.827478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.827478 (E_RNA) where: Base-Base interactions energy: -1779.106 where: short stacking energy: -746.631 Base-Backbone interact. energy: -3.413 local terms energy: -792.308987 where: bonds (distance) C4'-P energy: -135.365 bonds (distance) P-C4' energy: -158.746 flat angles C4'-P-C4' energy: -164.003 flat angles P-C4'-P energy: -116.070 tors. eta vs tors. theta energy: -218.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2415.872787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.872787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.872787 (E_RNA) where: Base-Base interactions energy: -1704.124 where: short stacking energy: -722.655 Base-Backbone interact. energy: -2.060 local terms energy: -709.688942 where: bonds (distance) C4'-P energy: -114.867 bonds (distance) P-C4' energy: -137.051 flat angles C4'-P-C4' energy: -150.210 flat angles P-C4'-P energy: -97.744 tors. eta vs tors. theta energy: -209.816 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: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2180.853463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.853463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.853463 (E_RNA) where: Base-Base interactions energy: -1482.158 where: short stacking energy: -667.355 Base-Backbone interact. energy: -2.720 local terms energy: -695.974805 where: bonds (distance) C4'-P energy: -123.616 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -136.729 flat angles P-C4'-P energy: -110.270 tors. eta vs tors. theta energy: -187.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2030.815128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.815128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.815128 (E_RNA) where: Base-Base interactions energy: -1390.582 where: short stacking energy: -626.347 Base-Backbone interact. energy: 1.046 local terms energy: -641.279235 where: bonds (distance) C4'-P energy: -110.564 bonds (distance) P-C4' energy: -133.252 flat angles C4'-P-C4' energy: -142.973 flat angles P-C4'-P energy: -96.570 tors. eta vs tors. theta energy: -157.922 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: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1762.708113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.708113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.708113 (E_RNA) where: Base-Base interactions energy: -1162.965 where: short stacking energy: -539.235 Base-Backbone interact. energy: 4.121 local terms energy: -603.863364 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -144.412 flat angles C4'-P-C4' energy: -137.888 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -142.708 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: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1493.634292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.634292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.634292 (E_RNA) where: Base-Base interactions energy: -933.187 where: short stacking energy: -405.101 Base-Backbone interact. energy: -1.700 local terms energy: -558.747966 where: bonds (distance) C4'-P energy: -130.708 bonds (distance) P-C4' energy: -140.933 flat angles C4'-P-C4' energy: -123.926 flat angles P-C4'-P energy: -77.050 tors. eta vs tors. theta energy: -86.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1284.053329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.053329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.053329 (E_RNA) where: Base-Base interactions energy: -803.098 where: short stacking energy: -396.873 Base-Backbone interact. energy: -3.345 local terms energy: -477.610833 where: bonds (distance) C4'-P energy: -118.615 bonds (distance) P-C4' energy: -107.506 flat angles C4'-P-C4' energy: -124.872 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -64.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1052.907370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.907370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.907370 (E_RNA) where: Base-Base interactions energy: -584.169 where: short stacking energy: -278.400 Base-Backbone interact. energy: -3.907 local terms energy: -464.831302 where: bonds (distance) C4'-P energy: -117.712 bonds (distance) P-C4' energy: -128.711 flat angles C4'-P-C4' energy: -104.393 flat angles P-C4'-P energy: -80.349 tors. eta vs tors. theta energy: -33.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2759.512116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.512116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.512116 (E_RNA) where: Base-Base interactions energy: -1935.029 where: short stacking energy: -831.468 Base-Backbone interact. energy: -2.585 local terms energy: -821.898515 where: bonds (distance) C4'-P energy: -144.177 bonds (distance) P-C4' energy: -132.901 flat angles C4'-P-C4' energy: -175.789 flat angles P-C4'-P energy: -123.443 tors. eta vs tors. theta energy: -245.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2638.617833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.617833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.617833 (E_RNA) where: Base-Base interactions energy: -1886.370 where: short stacking energy: -770.253 Base-Backbone interact. energy: 2.807 local terms energy: -755.054910 where: bonds (distance) C4'-P energy: -136.937 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -96.038 tors. eta vs tors. theta energy: -212.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2566.496130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.496130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.496130 (E_RNA) where: Base-Base interactions energy: -1784.168 where: short stacking energy: -714.797 Base-Backbone interact. energy: -1.638 local terms energy: -780.690236 where: bonds (distance) C4'-P energy: -139.536 bonds (distance) P-C4' energy: -150.668 flat angles C4'-P-C4' energy: -167.114 flat angles P-C4'-P energy: -108.872 tors. eta vs tors. theta energy: -214.501 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: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2391.441871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.441871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.441871 (E_RNA) where: Base-Base interactions energy: -1669.756 where: short stacking energy: -698.366 Base-Backbone interact. energy: -0.874 local terms energy: -720.811838 where: bonds (distance) C4'-P energy: -125.656 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -163.597 flat angles P-C4'-P energy: -96.173 tors. eta vs tors. theta energy: -205.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2215.131635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.131635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.131635 (E_RNA) where: Base-Base interactions energy: -1489.602 where: short stacking energy: -645.490 Base-Backbone interact. energy: -1.183 local terms energy: -724.346287 where: bonds (distance) C4'-P energy: -153.247 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -152.690 flat angles P-C4'-P energy: -97.354 tors. eta vs tors. theta energy: -178.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2067.222667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.222667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.222667 (E_RNA) where: Base-Base interactions energy: -1402.688 where: short stacking energy: -602.060 Base-Backbone interact. energy: 0.164 local terms energy: -664.698987 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -146.505 flat angles C4'-P-C4' energy: -145.350 flat angles P-C4'-P energy: -101.838 tors. eta vs tors. theta energy: -147.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1740.743822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.743822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.743822 (E_RNA) where: Base-Base interactions energy: -1150.847 where: short stacking energy: -498.702 Base-Backbone interact. energy: -2.285 local terms energy: -587.611463 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -141.216 flat angles C4'-P-C4' energy: -132.656 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -123.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1531.256068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.256068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.256068 (E_RNA) where: Base-Base interactions energy: -1021.095 where: short stacking energy: -423.212 Base-Backbone interact. energy: 9.332 local terms energy: -519.493269 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -113.053 flat angles C4'-P-C4' energy: -137.560 flat angles P-C4'-P energy: -76.290 tors. eta vs tors. theta energy: -82.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1286.792938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.792938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.792938 (E_RNA) where: Base-Base interactions energy: -787.856 where: short stacking energy: -387.782 Base-Backbone interact. energy: -1.461 local terms energy: -497.475924 where: bonds (distance) C4'-P energy: -118.673 bonds (distance) P-C4' energy: -130.373 flat angles C4'-P-C4' energy: -130.110 flat angles P-C4'-P energy: -48.306 tors. eta vs tors. theta energy: -70.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1053.017080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.017080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.017080 (E_RNA) where: Base-Base interactions energy: -622.218 where: short stacking energy: -289.386 Base-Backbone interact. energy: 4.412 local terms energy: -435.210424 where: bonds (distance) C4'-P energy: -120.564 bonds (distance) P-C4' energy: -106.227 flat angles C4'-P-C4' energy: -114.466 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -28.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2750.481561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.481561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.481561 (E_RNA) where: Base-Base interactions energy: -1925.540 where: short stacking energy: -812.756 Base-Backbone interact. energy: -3.995 local terms energy: -820.946647 where: bonds (distance) C4'-P energy: -137.339 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -184.097 flat angles P-C4'-P energy: -112.718 tors. eta vs tors. theta energy: -242.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2660.243675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.243675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.243675 (E_RNA) where: Base-Base interactions energy: -1862.667 where: short stacking energy: -753.786 Base-Backbone interact. energy: -2.770 local terms energy: -794.805916 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -150.424 flat angles C4'-P-C4' energy: -172.429 flat angles P-C4'-P energy: -117.289 tors. eta vs tors. theta energy: -204.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2527.120683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.120683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.120683 (E_RNA) where: Base-Base interactions energy: -1763.905 where: short stacking energy: -752.245 Base-Backbone interact. energy: -0.323 local terms energy: -762.892526 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -130.700 flat angles C4'-P-C4' energy: -167.365 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -224.353 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: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2333.805908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.805908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.805908 (E_RNA) where: Base-Base interactions energy: -1624.482 where: short stacking energy: -670.485 Base-Backbone interact. energy: -1.367 local terms energy: -707.956958 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -143.666 flat angles C4'-P-C4' energy: -146.134 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -183.131 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: 499 Temperature: 1.100000 Total energy: -2207.199716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.199716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.199716 (E_RNA) where: Base-Base interactions energy: -1508.990 where: short stacking energy: -642.429 Base-Backbone interact. energy: 5.302 local terms energy: -703.511932 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -133.131 flat angles C4'-P-C4' energy: -156.041 flat angles P-C4'-P energy: -105.516 tors. eta vs tors. theta energy: -177.445 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: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2006.279676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.279676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.279676 (E_RNA) where: Base-Base interactions energy: -1361.716 where: short stacking energy: -573.456 Base-Backbone interact. energy: 0.965 local terms energy: -645.529091 where: bonds (distance) C4'-P energy: -129.335 bonds (distance) P-C4' energy: -130.195 flat angles C4'-P-C4' energy: -142.832 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -148.864 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: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1804.874535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.874535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.874535 (E_RNA) where: Base-Base interactions energy: -1223.434 where: short stacking energy: -517.591 Base-Backbone interact. energy: -0.918 local terms energy: -580.522703 where: bonds (distance) C4'-P energy: -120.722 bonds (distance) P-C4' energy: -118.667 flat angles C4'-P-C4' energy: -132.423 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -125.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1655.683591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.683591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.683591 (E_RNA) where: Base-Base interactions energy: -1130.044 where: short stacking energy: -481.300 Base-Backbone interact. energy: -2.810 local terms energy: -522.830324 where: bonds (distance) C4'-P energy: -107.813 bonds (distance) P-C4' energy: -123.436 flat angles C4'-P-C4' energy: -122.273 flat angles P-C4'-P energy: -70.400 tors. eta vs tors. theta energy: -98.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1305.584446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.584446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.584446 (E_RNA) where: Base-Base interactions energy: -840.668 where: short stacking energy: -369.548 Base-Backbone interact. energy: -0.562 local terms energy: -464.354550 where: bonds (distance) C4'-P energy: -111.328 bonds (distance) P-C4' energy: -122.078 flat angles C4'-P-C4' energy: -117.332 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: -59.570 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: 10, replica: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -980.894089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.894089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.894089 (E_RNA) where: Base-Base interactions energy: -578.695 where: short stacking energy: -287.047 Base-Backbone interact. energy: 2.054 local terms energy: -404.252967 where: bonds (distance) C4'-P energy: -109.872 bonds (distance) P-C4' energy: -127.299 flat angles C4'-P-C4' energy: -99.406 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -16.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2756.301165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.301165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.301165 (E_RNA) where: Base-Base interactions energy: -1934.836 where: short stacking energy: -822.662 Base-Backbone interact. energy: -3.665 local terms energy: -817.799969 where: bonds (distance) C4'-P energy: -138.844 bonds (distance) P-C4' energy: -133.538 flat angles C4'-P-C4' energy: -173.792 flat angles P-C4'-P energy: -122.263 tors. eta vs tors. theta energy: -249.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2638.166603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.166603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.166603 (E_RNA) where: Base-Base interactions energy: -1868.257 where: short stacking energy: -740.924 Base-Backbone interact. energy: -3.993 local terms energy: -765.916935 where: bonds (distance) C4'-P energy: -126.966 bonds (distance) P-C4' energy: -144.164 flat angles C4'-P-C4' energy: -168.850 flat angles P-C4'-P energy: -118.484 tors. eta vs tors. theta energy: -207.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2536.383749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.383749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.383749 (E_RNA) where: Base-Base interactions energy: -1763.866 where: short stacking energy: -738.167 Base-Backbone interact. energy: 6.401 local terms energy: -778.919143 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -142.983 flat angles C4'-P-C4' energy: -164.442 flat angles P-C4'-P energy: -105.167 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: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2356.708033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.708033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.708033 (E_RNA) where: Base-Base interactions energy: -1630.095 where: short stacking energy: -685.251 Base-Backbone interact. energy: -2.354 local terms energy: -724.259358 where: bonds (distance) C4'-P energy: -146.505 bonds (distance) P-C4' energy: -130.622 flat angles C4'-P-C4' energy: -146.142 flat angles P-C4'-P energy: -94.042 tors. eta vs tors. theta energy: -206.948 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: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2197.470744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.470744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.470744 (E_RNA) where: Base-Base interactions energy: -1483.163 where: short stacking energy: -621.198 Base-Backbone interact. energy: 0.033 local terms energy: -714.341248 where: bonds (distance) C4'-P energy: -136.368 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -106.681 tors. eta vs tors. theta energy: -186.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2146.217759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.217759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.217759 (E_RNA) where: Base-Base interactions energy: -1474.956 where: short stacking energy: -653.317 Base-Backbone interact. energy: -0.939 local terms energy: -670.323115 where: bonds (distance) C4'-P energy: -111.180 bonds (distance) P-C4' energy: -147.942 flat angles C4'-P-C4' energy: -144.695 flat angles P-C4'-P energy: -87.525 tors. eta vs tors. theta energy: -178.982 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: 7, replica: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1829.151464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.151464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.151464 (E_RNA) where: Base-Base interactions energy: -1222.853 where: short stacking energy: -526.853 Base-Backbone interact. energy: -1.016 local terms energy: -605.282395 where: bonds (distance) C4'-P energy: -124.430 bonds (distance) P-C4' energy: -134.189 flat angles C4'-P-C4' energy: -140.342 flat angles P-C4'-P energy: -76.472 tors. eta vs tors. theta energy: -129.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1665.244386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.244386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.244386 (E_RNA) where: Base-Base interactions energy: -1106.297 where: short stacking energy: -466.861 Base-Backbone interact. energy: -2.766 local terms energy: -556.181964 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -126.991 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -110.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1315.316745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.316745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.316745 (E_RNA) where: Base-Base interactions energy: -826.570 where: short stacking energy: -367.005 Base-Backbone interact. energy: 0.915 local terms energy: -489.661331 where: bonds (distance) C4'-P energy: -119.310 bonds (distance) P-C4' energy: -130.905 flat angles C4'-P-C4' energy: -117.557 flat angles P-C4'-P energy: -67.362 tors. eta vs tors. theta energy: -54.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -987.221147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.221147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.221147 (E_RNA) where: Base-Base interactions energy: -570.437 where: short stacking energy: -272.064 Base-Backbone interact. energy: -0.831 local terms energy: -415.953501 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -95.483 flat angles P-C4'-P energy: -75.249 tors. eta vs tors. theta energy: -14.516 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: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2760.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.861235 (E_RNA) where: Base-Base interactions energy: -1940.423 where: short stacking energy: -804.598 Base-Backbone interact. energy: -2.498 local terms energy: -817.940513 where: bonds (distance) C4'-P energy: -156.219 bonds (distance) P-C4' energy: -136.395 flat angles C4'-P-C4' energy: -169.018 flat angles P-C4'-P energy: -123.535 tors. eta vs tors. theta energy: -232.774 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: 501 Temperature: 0.950000 Total energy: -2653.460695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.460695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.460695 (E_RNA) where: Base-Base interactions energy: -1859.262 where: short stacking energy: -773.676 Base-Backbone interact. energy: -0.940 local terms energy: -793.258399 where: bonds (distance) C4'-P energy: -137.896 bonds (distance) P-C4' energy: -142.855 flat angles C4'-P-C4' energy: -178.910 flat angles P-C4'-P energy: -115.027 tors. eta vs tors. theta energy: -218.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2540.737620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.737620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.737620 (E_RNA) where: Base-Base interactions energy: -1777.600 where: short stacking energy: -748.368 Base-Backbone interact. energy: 0.286 local terms energy: -763.423793 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -136.659 flat angles C4'-P-C4' energy: -159.919 flat angles P-C4'-P energy: -103.404 tors. eta vs tors. theta energy: -226.284 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: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2370.929421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.929421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.929421 (E_RNA) where: Base-Base interactions energy: -1638.813 where: short stacking energy: -704.568 Base-Backbone interact. energy: -0.405 local terms energy: -731.711571 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -130.552 flat angles C4'-P-C4' energy: -158.978 flat angles P-C4'-P energy: -108.491 tors. eta vs tors. theta energy: -204.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2188.462543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.462543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.462543 (E_RNA) where: Base-Base interactions energy: -1509.236 where: short stacking energy: -666.541 Base-Backbone interact. energy: -0.206 local terms energy: -679.020742 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -120.009 flat angles C4'-P-C4' energy: -140.541 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -183.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2144.254836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.254836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.254836 (E_RNA) where: Base-Base interactions energy: -1437.986 where: short stacking energy: -617.020 Base-Backbone interact. energy: -1.813 local terms energy: -704.455867 where: bonds (distance) C4'-P energy: -133.883 bonds (distance) P-C4' energy: -138.349 flat angles C4'-P-C4' energy: -145.383 flat angles P-C4'-P energy: -105.480 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: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1744.358499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.358499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.358499 (E_RNA) where: Base-Base interactions energy: -1136.350 where: short stacking energy: -482.501 Base-Backbone interact. energy: -0.589 local terms energy: -607.419121 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -150.151 flat angles C4'-P-C4' energy: -140.636 flat angles P-C4'-P energy: -83.484 tors. eta vs tors. theta energy: -101.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1675.175949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.175949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.175949 (E_RNA) where: Base-Base interactions energy: -1091.402 where: short stacking energy: -466.010 Base-Backbone interact. energy: -3.038 local terms energy: -580.735585 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -129.006 flat angles C4'-P-C4' energy: -139.390 flat angles P-C4'-P energy: -79.603 tors. eta vs tors. theta energy: -112.095 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: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1254.990030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.990030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.990030 (E_RNA) where: Base-Base interactions energy: -798.495 where: short stacking energy: -335.342 Base-Backbone interact. energy: -1.409 local terms energy: -455.086483 where: bonds (distance) C4'-P energy: -130.470 bonds (distance) P-C4' energy: -113.803 flat angles C4'-P-C4' energy: -101.955 flat angles P-C4'-P energy: -60.985 tors. eta vs tors. theta energy: -47.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -1017.700601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.700601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.700601 (E_RNA) where: Base-Base interactions energy: -571.902 where: short stacking energy: -306.157 Base-Backbone interact. energy: 4.469 local terms energy: -450.268164 where: bonds (distance) C4'-P energy: -115.774 bonds (distance) P-C4' energy: -102.981 flat angles C4'-P-C4' energy: -123.553 flat angles P-C4'-P energy: -64.466 tors. eta vs tors. theta energy: -43.495 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 146854943 moves confirmed later: 166179815 all moves confirmed: 313034758 percent of confirmed moves: 39.129345 current total energy: -2667.740586 recalc. total energy: -2667.740586 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 122558631 moves confirmed later: 134772091 all moves confirmed: 257330722 percent of confirmed moves: 32.166340 current total energy: -2550.672285 recalc. total energy: -2550.672285 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 119645603 moves confirmed later: 131469178 all moves confirmed: 251114781 percent of confirmed moves: 31.389348 current total energy: -2443.395324 recalc. total energy: -2443.395324 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 146171143 moves confirmed later: 164625635 all moves confirmed: 310796778 percent of confirmed moves: 38.849597 current total energy: -2201.968713 recalc. total energy: -2201.968713 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 150093994 moves confirmed later: 169569996 all moves confirmed: 319663990 percent of confirmed moves: 39.957999 current total energy: -2092.999923 recalc. total energy: -2092.999923 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 202244508 moves confirmed later: 238814365 all moves confirmed: 441058873 percent of confirmed moves: 55.132359 current total energy: -1960.857555 recalc. total energy: -1960.857555 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 220761958 moves confirmed later: 261895996 all moves confirmed: 482657954 percent of confirmed moves: 60.332244 current total energy: -1548.965616 recalc. total energy: -1548.965616 replica 2 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 152581575 moves confirmed later: 173202495 all moves confirmed: 325784070 percent of confirmed moves: 40.723009 current total energy: -1477.397734 recalc. total energy: -1477.397734 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 172903080 moves confirmed later: 199494342 all moves confirmed: 372397422 percent of confirmed moves: 46.549678 current total energy: -1121.834411 recalc. total energy: -1121.834411 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 250125796 moves confirmed later: 300495095 all moves confirmed: 550620891 percent of confirmed moves: 68.827611 current total energy: -853.090688 recalc. total energy: -853.090688 out arg RESULTS//1/WT-49920443_01 Time of doing 8000000 iterations: 58375.685 seconds