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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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/3_Mut-862edcf4/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_Mut-862edcf4/inputs/seq.fa: 1 curr_seq: _UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUCGACAUAGUGUGGUGGUGCCCUGUGAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAGAGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAGGAAGAGAAUCUCCGCAAGAAAGGGGAG 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 250 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: 1255 n_atoms_counter: 1255 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 250.000000 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: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1007.763667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763667 (E_RNA) where: Base-Base interactions energy: -34.815 where: short stacking energy: -34.815 Base-Backbone interact. energy: -0.000 local terms energy: -972.948555 where: bonds (distance) C4'-P energy: -242.895 bonds (distance) P-C4' energy: -224.558 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -209.969 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1209.465253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.465253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.465253 (E_RNA) where: Base-Base interactions energy: -519.750 where: short stacking energy: -515.787 Base-Backbone interact. energy: -0.232 local terms energy: -689.483041 where: bonds (distance) C4'-P energy: -146.678 bonds (distance) P-C4' energy: -165.679 flat angles C4'-P-C4' energy: -158.374 flat angles P-C4'-P energy: -89.725 tors. eta vs tors. theta energy: -129.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1156.719554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.719554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.719554 (E_RNA) where: Base-Base interactions energy: -465.179 where: short stacking energy: -459.878 Base-Backbone interact. energy: 0.217 local terms energy: -691.757040 where: bonds (distance) C4'-P energy: -150.280 bonds (distance) P-C4' energy: -166.089 flat angles C4'-P-C4' energy: -169.783 flat angles P-C4'-P energy: -91.490 tors. eta vs tors. theta energy: -114.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1052.519348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.519348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.519348 (E_RNA) where: Base-Base interactions energy: -428.471 where: short stacking energy: -422.121 Base-Backbone interact. energy: -0.080 local terms energy: -623.968850 where: bonds (distance) C4'-P energy: -155.120 bonds (distance) P-C4' energy: -152.469 flat angles C4'-P-C4' energy: -154.154 flat angles P-C4'-P energy: -67.715 tors. eta vs tors. theta energy: -94.511 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1016.983316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.983316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.983316 (E_RNA) where: Base-Base interactions energy: -163.102 where: short stacking energy: -163.102 Base-Backbone interact. energy: -0.000 local terms energy: -853.881194 where: bonds (distance) C4'-P energy: -187.821 bonds (distance) P-C4' energy: -162.887 flat angles C4'-P-C4' energy: -186.902 flat angles P-C4'-P energy: -190.711 tors. eta vs tors. theta energy: -125.560 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1018.578136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.578136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.578136 (E_RNA) where: Base-Base interactions energy: -104.448 where: short stacking energy: -104.448 Base-Backbone interact. energy: -0.000 local terms energy: -914.129991 where: bonds (distance) C4'-P energy: -220.922 bonds (distance) P-C4' energy: -182.223 flat angles C4'-P-C4' energy: -185.625 flat angles P-C4'-P energy: -200.866 tors. eta vs tors. theta energy: -124.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1037.854491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.854491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.854491 (E_RNA) where: Base-Base interactions energy: -216.387 where: short stacking energy: -216.387 Base-Backbone interact. energy: -0.000 local terms energy: -821.467552 where: bonds (distance) C4'-P energy: -170.270 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -179.952 flat angles P-C4'-P energy: -182.743 tors. eta vs tors. theta energy: -127.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1022.731343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.731343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.731343 (E_RNA) where: Base-Base interactions energy: -105.149 where: short stacking energy: -105.149 Base-Backbone interact. energy: -0.000 local terms energy: -917.582453 where: bonds (distance) C4'-P energy: -213.650 bonds (distance) P-C4' energy: -192.004 flat angles C4'-P-C4' energy: -186.319 flat angles P-C4'-P energy: -201.162 tors. eta vs tors. theta energy: -124.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1009.574678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.574678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.574678 (E_RNA) where: Base-Base interactions energy: -89.967 where: short stacking energy: -89.967 Base-Backbone interact. energy: -0.000 local terms energy: -919.607409 where: bonds (distance) C4'-P energy: -218.320 bonds (distance) P-C4' energy: -190.983 flat angles C4'-P-C4' energy: -186.023 flat angles P-C4'-P energy: -201.642 tors. eta vs tors. theta energy: -122.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1006.851499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.851499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.851499 (E_RNA) where: Base-Base interactions energy: -38.457 where: short stacking energy: -38.457 Base-Backbone interact. energy: -0.000 local terms energy: -968.394391 where: bonds (distance) C4'-P energy: -241.809 bonds (distance) P-C4' energy: -221.802 flat angles C4'-P-C4' energy: -182.782 flat angles P-C4'-P energy: -209.498 tors. eta vs tors. theta energy: -112.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1006.535086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.535086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.535086 (E_RNA) where: Base-Base interactions energy: -38.445 where: short stacking energy: -38.445 Base-Backbone interact. energy: -0.000 local terms energy: -968.089760 where: bonds (distance) C4'-P energy: -241.809 bonds (distance) P-C4' energy: -221.802 flat angles C4'-P-C4' energy: -182.622 flat angles P-C4'-P energy: -209.498 tors. eta vs tors. theta energy: -112.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1303.257162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.257162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.257162 (E_RNA) where: Base-Base interactions energy: -577.720 where: short stacking energy: -567.276 Base-Backbone interact. energy: 1.093 local terms energy: -726.629612 where: bonds (distance) C4'-P energy: -147.987 bonds (distance) P-C4' energy: -177.911 flat angles C4'-P-C4' energy: -164.086 flat angles P-C4'-P energy: -95.039 tors. eta vs tors. theta energy: -141.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1179.809686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.809686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.809686 (E_RNA) where: Base-Base interactions energy: -491.635 where: short stacking energy: -483.439 Base-Backbone interact. energy: -0.607 local terms energy: -687.566950 where: bonds (distance) C4'-P energy: -168.078 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -165.118 flat angles P-C4'-P energy: -101.650 tors. eta vs tors. theta energy: -100.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1099.012409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.012409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.012409 (E_RNA) where: Base-Base interactions energy: -480.982 where: short stacking energy: -466.134 Base-Backbone interact. energy: 1.455 local terms energy: -619.485578 where: bonds (distance) C4'-P energy: -142.975 bonds (distance) P-C4' energy: -150.003 flat angles C4'-P-C4' energy: -145.598 flat angles P-C4'-P energy: -78.959 tors. eta vs tors. theta energy: -101.950 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -991.269627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.269627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.269627 (E_RNA) where: Base-Base interactions energy: -401.274 where: short stacking energy: -379.714 Base-Backbone interact. energy: 0.860 local terms energy: -590.855964 where: bonds (distance) C4'-P energy: -139.182 bonds (distance) P-C4' energy: -145.306 flat angles C4'-P-C4' energy: -151.200 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -67.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -924.507134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.507134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.507134 (E_RNA) where: Base-Base interactions energy: -373.599 where: short stacking energy: -343.610 Base-Backbone interact. energy: -1.059 local terms energy: -549.849339 where: bonds (distance) C4'-P energy: -134.954 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -85.372 tors. eta vs tors. theta energy: -45.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -876.697711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.697711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.697711 (E_RNA) where: Base-Base interactions energy: -338.793 where: short stacking energy: -310.961 Base-Backbone interact. energy: -1.176 local terms energy: -536.727911 where: bonds (distance) C4'-P energy: -136.225 bonds (distance) P-C4' energy: -142.588 flat angles C4'-P-C4' energy: -124.268 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -56.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -763.858458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.858458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.858458 (E_RNA) where: Base-Base interactions energy: -280.296 where: short stacking energy: -261.620 Base-Backbone interact. energy: 4.957 local terms energy: -488.519159 where: bonds (distance) C4'-P energy: -128.654 bonds (distance) P-C4' energy: -133.076 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -74.674 tors. eta vs tors. theta energy: -28.847 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -698.424359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.424359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.424359 (E_RNA) where: Base-Base interactions energy: -244.920 where: short stacking energy: -222.307 Base-Backbone interact. energy: -0.538 local terms energy: -452.966392 where: bonds (distance) C4'-P energy: -135.392 bonds (distance) P-C4' energy: -140.404 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -54.324 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -646.020009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.020009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.020009 (E_RNA) where: Base-Base interactions energy: -213.849 where: short stacking energy: -201.611 Base-Backbone interact. energy: 0.506 local terms energy: -432.677510 where: bonds (distance) C4'-P energy: -124.283 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -89.261 flat angles P-C4'-P energy: -72.251 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -588.923771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.923771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.923771 (E_RNA) where: Base-Base interactions energy: -182.535 where: short stacking energy: -161.406 Base-Backbone interact. energy: 0.253 local terms energy: -406.641824 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -94.461 flat angles P-C4'-P energy: -65.976 tors. eta vs tors. theta energy: 24.447 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1310.625572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.625572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.625572 (E_RNA) where: Base-Base interactions energy: -583.975 where: short stacking energy: -579.547 Base-Backbone interact. energy: -0.731 local terms energy: -725.919295 where: bonds (distance) C4'-P energy: -159.039 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -167.347 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -136.713 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1189.883613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.883613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.883613 (E_RNA) where: Base-Base interactions energy: -551.962 where: short stacking energy: -493.354 Base-Backbone interact. energy: -1.594 local terms energy: -636.327782 where: bonds (distance) C4'-P energy: -145.302 bonds (distance) P-C4' energy: -147.069 flat angles C4'-P-C4' energy: -143.017 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -98.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1092.447849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.447849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.447849 (E_RNA) where: Base-Base interactions energy: -443.847 where: short stacking energy: -399.665 Base-Backbone interact. energy: -0.737 local terms energy: -647.863717 where: bonds (distance) C4'-P energy: -160.877 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -152.380 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -100.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -990.986958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.986958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.986958 (E_RNA) where: Base-Base interactions energy: -421.531 where: short stacking energy: -377.635 Base-Backbone interact. energy: -0.790 local terms energy: -568.665758 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -139.559 flat angles P-C4'-P energy: -85.664 tors. eta vs tors. theta energy: -66.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -994.760786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.760786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.760786 (E_RNA) where: Base-Base interactions energy: -427.421 where: short stacking energy: -376.103 Base-Backbone interact. energy: 0.782 local terms energy: -568.121784 where: bonds (distance) C4'-P energy: -121.791 bonds (distance) P-C4' energy: -140.593 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -73.105 tors. eta vs tors. theta energy: -78.175 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -869.754560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.754560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.754560 (E_RNA) where: Base-Base interactions energy: -305.772 where: short stacking energy: -269.350 Base-Backbone interact. energy: -0.283 local terms energy: -563.699198 where: bonds (distance) C4'-P energy: -157.774 bonds (distance) P-C4' energy: -134.541 flat angles C4'-P-C4' energy: -146.317 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -31.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -796.765455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.765455 (E_RNA) where: Base-Base interactions energy: -318.696 where: short stacking energy: -279.259 Base-Backbone interact. energy: 1.025 local terms energy: -479.094414 where: bonds (distance) C4'-P energy: -120.852 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -115.106 flat angles P-C4'-P energy: -73.978 tors. eta vs tors. theta energy: -22.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -700.339272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.339272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.339272 (E_RNA) where: Base-Base interactions energy: -265.956 where: short stacking energy: -247.478 Base-Backbone interact. energy: 2.356 local terms energy: -436.739130 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -122.534 flat angles P-C4'-P energy: -76.164 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -650.742427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.742427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.742427 (E_RNA) where: Base-Base interactions energy: -243.971 where: short stacking energy: -191.873 Base-Backbone interact. energy: -1.957 local terms energy: -404.814374 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -119.408 flat angles P-C4'-P energy: -67.067 tors. eta vs tors. theta energy: 17.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -591.304254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.304254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.304254 (E_RNA) where: Base-Base interactions energy: -187.127 where: short stacking energy: -148.335 Base-Backbone interact. energy: 0.756 local terms energy: -404.933741 where: bonds (distance) C4'-P energy: -141.954 bonds (distance) P-C4' energy: -128.950 flat angles C4'-P-C4' energy: -86.080 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: 12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1305.692363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.692363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.692363 (E_RNA) where: Base-Base interactions energy: -589.080 where: short stacking energy: -554.933 Base-Backbone interact. energy: 0.918 local terms energy: -717.530692 where: bonds (distance) C4'-P energy: -159.543 bonds (distance) P-C4' energy: -154.478 flat angles C4'-P-C4' energy: -160.781 flat angles P-C4'-P energy: -109.535 tors. eta vs tors. theta energy: -133.193 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: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1308.030888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.030888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.030888 (E_RNA) where: Base-Base interactions energy: -611.959 where: short stacking energy: -520.012 Base-Backbone interact. energy: 4.397 local terms energy: -700.468427 where: bonds (distance) C4'-P energy: -154.659 bonds (distance) P-C4' energy: -145.490 flat angles C4'-P-C4' energy: -178.288 flat angles P-C4'-P energy: -105.503 tors. eta vs tors. theta energy: -116.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1179.048973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.048973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.048973 (E_RNA) where: Base-Base interactions energy: -522.006 where: short stacking energy: -457.957 Base-Backbone interact. energy: 1.962 local terms energy: -659.004383 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -161.576 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -88.516 tors. eta vs tors. theta energy: -117.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1081.675865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.675865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.675865 (E_RNA) where: Base-Base interactions energy: -493.933 where: short stacking energy: -404.070 Base-Backbone interact. energy: 0.866 local terms energy: -588.609434 where: bonds (distance) C4'-P energy: -144.076 bonds (distance) P-C4' energy: -143.357 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -89.926 tors. eta vs tors. theta energy: -69.797 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -936.140839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.140839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.140839 (E_RNA) where: Base-Base interactions energy: -377.441 where: short stacking energy: -341.027 Base-Backbone interact. energy: -1.685 local terms energy: -557.015221 where: bonds (distance) C4'-P energy: -136.000 bonds (distance) P-C4' energy: -155.221 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -87.204 tors. eta vs tors. theta energy: -58.587 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: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -832.497412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.497412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.497412 (E_RNA) where: Base-Base interactions energy: -337.487 where: short stacking energy: -292.147 Base-Backbone interact. energy: 1.126 local terms energy: -496.136696 where: bonds (distance) C4'-P energy: -121.107 bonds (distance) P-C4' energy: -153.722 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: -8.816 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: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -854.653796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.653796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.653796 (E_RNA) where: Base-Base interactions energy: -335.499 where: short stacking energy: -322.554 Base-Backbone interact. energy: 0.110 local terms energy: -519.264446 where: bonds (distance) C4'-P energy: -140.129 bonds (distance) P-C4' energy: -146.886 flat angles C4'-P-C4' energy: -105.267 flat angles P-C4'-P energy: -95.873 tors. eta vs tors. theta energy: -31.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -726.773898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.773898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.773898 (E_RNA) where: Base-Base interactions energy: -284.714 where: short stacking energy: -230.952 Base-Backbone interact. energy: 1.661 local terms energy: -443.721091 where: bonds (distance) C4'-P energy: -126.123 bonds (distance) P-C4' energy: -145.659 flat angles C4'-P-C4' energy: -111.953 flat angles P-C4'-P energy: -71.445 tors. eta vs tors. theta energy: 11.459 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: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -650.591634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.591634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.591634 (E_RNA) where: Base-Base interactions energy: -246.811 where: short stacking energy: -204.943 Base-Backbone interact. energy: -0.429 local terms energy: -403.352309 where: bonds (distance) C4'-P energy: -129.158 bonds (distance) P-C4' energy: -109.748 flat angles C4'-P-C4' energy: -112.491 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: 9.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -591.869907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.869907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.869907 (E_RNA) where: Base-Base interactions energy: -214.852 where: short stacking energy: -171.990 Base-Backbone interact. energy: 5.358 local terms energy: -382.375406 where: bonds (distance) C4'-P energy: -105.925 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -101.103 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: 20.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1380.669352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.669352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.669352 (E_RNA) where: Base-Base interactions energy: -635.382 where: short stacking energy: -624.317 Base-Backbone interact. energy: 0.825 local terms energy: -746.112447 where: bonds (distance) C4'-P energy: -148.928 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -173.709 flat angles P-C4'-P energy: -110.790 tors. eta vs tors. theta energy: -167.045 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1316.357485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.357485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.357485 (E_RNA) where: Base-Base interactions energy: -634.096 where: short stacking energy: -515.844 Base-Backbone interact. energy: -0.425 local terms energy: -681.836549 where: bonds (distance) C4'-P energy: -140.095 bonds (distance) P-C4' energy: -163.141 flat angles C4'-P-C4' energy: -159.682 flat angles P-C4'-P energy: -105.473 tors. eta vs tors. theta energy: -113.445 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: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1215.054882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.054882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.054882 (E_RNA) where: Base-Base interactions energy: -594.842 where: short stacking energy: -439.759 Base-Backbone interact. energy: 0.283 local terms energy: -620.495987 where: bonds (distance) C4'-P energy: -143.683 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -153.249 flat angles P-C4'-P energy: -99.659 tors. eta vs tors. theta energy: -82.942 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: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1007.231654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.231654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.231654 (E_RNA) where: Base-Base interactions energy: -426.269 where: short stacking energy: -399.783 Base-Backbone interact. energy: -1.733 local terms energy: -579.229001 where: bonds (distance) C4'-P energy: -146.461 bonds (distance) P-C4' energy: -145.731 flat angles C4'-P-C4' energy: -136.576 flat angles P-C4'-P energy: -81.264 tors. eta vs tors. theta energy: -69.197 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: 6 Temperature: 1.100000 Total energy: -905.019724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.019724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.019724 (E_RNA) where: Base-Base interactions energy: -350.268 where: short stacking energy: -306.043 Base-Backbone interact. energy: -0.984 local terms energy: -553.768524 where: bonds (distance) C4'-P energy: -147.691 bonds (distance) P-C4' energy: -144.273 flat angles C4'-P-C4' energy: -135.524 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -46.368 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: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1008.402910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.402910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.402910 (E_RNA) where: Base-Base interactions energy: -480.168 where: short stacking energy: -322.439 Base-Backbone interact. energy: -1.918 local terms energy: -526.316829 where: bonds (distance) C4'-P energy: -124.387 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -128.595 flat angles P-C4'-P energy: -86.207 tors. eta vs tors. theta energy: -46.445 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -833.175605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.175605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.175605 (E_RNA) where: Base-Base interactions energy: -356.741 where: short stacking energy: -272.860 Base-Backbone interact. energy: 0.333 local terms energy: -476.768055 where: bonds (distance) C4'-P energy: -127.308 bonds (distance) P-C4' energy: -126.059 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -20.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -670.950996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.950996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.950996 (E_RNA) where: Base-Base interactions energy: -229.475 where: short stacking energy: -212.012 Base-Backbone interact. energy: -1.779 local terms energy: -439.697544 where: bonds (distance) C4'-P energy: -108.922 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -116.009 flat angles P-C4'-P energy: -67.666 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -730.273057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.273057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.273057 (E_RNA) where: Base-Base interactions energy: -310.558 where: short stacking energy: -248.970 Base-Backbone interact. energy: -1.068 local terms energy: -418.647103 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -116.498 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -4.611 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: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -617.679400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.679400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.679400 (E_RNA) where: Base-Base interactions energy: -227.574 where: short stacking energy: -197.942 Base-Backbone interact. energy: 4.615 local terms energy: -394.720233 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -116.209 flat angles C4'-P-C4' energy: -108.927 flat angles P-C4'-P energy: -56.818 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1405.311796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.311796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.311796 (E_RNA) where: Base-Base interactions energy: -668.909 where: short stacking energy: -664.703 Base-Backbone interact. energy: 0.401 local terms energy: -736.804610 where: bonds (distance) C4'-P energy: -142.653 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -113.022 tors. eta vs tors. theta energy: -178.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1358.605719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.605719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.605719 (E_RNA) where: Base-Base interactions energy: -699.329 where: short stacking energy: -525.390 Base-Backbone interact. energy: 5.068 local terms energy: -664.345194 where: bonds (distance) C4'-P energy: -150.807 bonds (distance) P-C4' energy: -148.397 flat angles C4'-P-C4' energy: -157.542 flat angles P-C4'-P energy: -86.876 tors. eta vs tors. theta energy: -120.722 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1239.707598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.707598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.707598 (E_RNA) where: Base-Base interactions energy: -634.974 where: short stacking energy: -462.331 Base-Backbone interact. energy: -1.994 local terms energy: -602.739624 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -163.219 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -73.150 tors. eta vs tors. theta energy: -95.499 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: 4, replica: 2 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1034.837469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.837469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.837469 (E_RNA) where: Base-Base interactions energy: -450.247 where: short stacking energy: -384.409 Base-Backbone interact. energy: -2.696 local terms energy: -581.894324 where: bonds (distance) C4'-P energy: -136.060 bonds (distance) P-C4' energy: -144.291 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -80.180 tors. eta vs tors. theta energy: -65.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -918.055405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.055405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.055405 (E_RNA) where: Base-Base interactions energy: -377.791 where: short stacking energy: -333.254 Base-Backbone interact. energy: 1.340 local terms energy: -541.604461 where: bonds (distance) C4'-P energy: -154.239 bonds (distance) P-C4' energy: -146.650 flat angles C4'-P-C4' energy: -115.699 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -35.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1048.063003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.063003 (E_RNA) where: Base-Base interactions energy: -515.145 where: short stacking energy: -313.760 Base-Backbone interact. energy: -1.027 local terms energy: -531.890814 where: bonds (distance) C4'-P energy: -133.444 bonds (distance) P-C4' energy: -158.116 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -20.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -878.865127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.865127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.865127 (E_RNA) where: Base-Base interactions energy: -371.941 where: short stacking energy: -262.200 Base-Backbone interact. energy: 3.866 local terms energy: -510.790138 where: bonds (distance) C4'-P energy: -123.942 bonds (distance) P-C4' energy: -152.799 flat angles C4'-P-C4' energy: -130.638 flat angles P-C4'-P energy: -87.602 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -764.182127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.182127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.182127 (E_RNA) where: Base-Base interactions energy: -299.545 where: short stacking energy: -205.782 Base-Backbone interact. energy: 1.490 local terms energy: -466.126597 where: bonds (distance) C4'-P energy: -126.312 bonds (distance) P-C4' energy: -160.156 flat angles C4'-P-C4' energy: -111.408 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: 10.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -665.512326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.512326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.512326 (E_RNA) where: Base-Base interactions energy: -240.965 where: short stacking energy: -192.855 Base-Backbone interact. energy: -1.675 local terms energy: -422.872211 where: bonds (distance) C4'-P energy: -118.591 bonds (distance) P-C4' energy: -125.458 flat angles C4'-P-C4' energy: -106.227 flat angles P-C4'-P energy: -62.454 tors. eta vs tors. theta energy: -10.142 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -621.217779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.217779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.217779 (E_RNA) where: Base-Base interactions energy: -244.624 where: short stacking energy: -175.356 Base-Backbone interact. energy: -2.423 local terms energy: -374.171464 where: bonds (distance) C4'-P energy: -115.831 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -85.519 flat angles P-C4'-P energy: -64.697 tors. eta vs tors. theta energy: 28.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1488.694803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.694803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.694803 (E_RNA) where: Base-Base interactions energy: -789.658 where: short stacking energy: -561.981 Base-Backbone interact. energy: 0.091 local terms energy: -699.127505 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -157.698 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -88.104 tors. eta vs tors. theta energy: -147.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1265.136722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.136722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.136722 (E_RNA) where: Base-Base interactions energy: -590.611 where: short stacking energy: -539.237 Base-Backbone interact. energy: -0.653 local terms energy: -673.873118 where: bonds (distance) C4'-P energy: -147.555 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -158.942 flat angles P-C4'-P energy: -95.299 tors. eta vs tors. theta energy: -125.445 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: 8 Temperature: 1.000000 Total energy: -1262.375549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.375549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.375549 (E_RNA) where: Base-Base interactions energy: -637.191 where: short stacking energy: -471.567 Base-Backbone interact. energy: -0.612 local terms energy: -624.573013 where: bonds (distance) C4'-P energy: -144.295 bonds (distance) P-C4' energy: -140.718 flat angles C4'-P-C4' energy: -149.696 flat angles P-C4'-P energy: -90.520 tors. eta vs tors. theta energy: -99.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1136.089418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.089418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.089418 (E_RNA) where: Base-Base interactions energy: -538.991 where: short stacking energy: -450.524 Base-Backbone interact. energy: -1.668 local terms energy: -595.429705 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -159.374 flat angles C4'-P-C4' energy: -134.494 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: -84.985 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1277.404085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.404085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.404085 (E_RNA) where: Base-Base interactions energy: -688.765 where: short stacking energy: -377.804 Base-Backbone interact. energy: -1.304 local terms energy: -587.335202 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -143.466 flat angles C4'-P-C4' energy: -143.525 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -56.617 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: 8 Temperature: 1.150000 Total energy: -887.688836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.688836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.688836 (E_RNA) where: Base-Base interactions energy: -361.733 where: short stacking energy: -294.085 Base-Backbone interact. energy: 2.770 local terms energy: -528.726431 where: bonds (distance) C4'-P energy: -128.109 bonds (distance) P-C4' energy: -158.408 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -32.377 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: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -910.351602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.351602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.351602 (E_RNA) where: Base-Base interactions energy: -445.431 where: short stacking energy: -287.661 Base-Backbone interact. energy: 5.383 local terms energy: -470.303326 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -127.600 flat angles C4'-P-C4' energy: -124.861 flat angles P-C4'-P energy: -76.968 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -794.223408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.223408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.223408 (E_RNA) where: Base-Base interactions energy: -344.772 where: short stacking energy: -264.575 Base-Backbone interact. energy: 2.860 local terms energy: -452.310995 where: bonds (distance) C4'-P energy: -115.521 bonds (distance) P-C4' energy: -132.866 flat angles C4'-P-C4' energy: -128.299 flat angles P-C4'-P energy: -65.621 tors. eta vs tors. theta energy: -10.004 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -750.728736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.728736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.728736 (E_RNA) where: Base-Base interactions energy: -343.210 where: short stacking energy: -217.718 Base-Backbone interact. energy: -0.980 local terms energy: -406.538841 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -126.575 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -50.431 tors. eta vs tors. theta energy: 6.334 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: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -576.405758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.405758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.405758 (E_RNA) where: Base-Base interactions energy: -184.302 where: short stacking energy: -139.256 Base-Backbone interact. energy: 5.020 local terms energy: -397.123807 where: bonds (distance) C4'-P energy: -128.333 bonds (distance) P-C4' energy: -141.643 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: 29.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1579.505113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.505113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.505113 (E_RNA) where: Base-Base interactions energy: -850.733 where: short stacking energy: -558.647 Base-Backbone interact. energy: -3.507 local terms energy: -725.265450 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -165.983 flat angles C4'-P-C4' energy: -158.763 flat angles P-C4'-P energy: -105.255 tors. eta vs tors. theta energy: -138.112 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1302.481905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.481905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.481905 (E_RNA) where: Base-Base interactions energy: -636.414 where: short stacking energy: -498.518 Base-Backbone interact. energy: 0.222 local terms energy: -666.289374 where: bonds (distance) C4'-P energy: -152.249 bonds (distance) P-C4' energy: -165.074 flat angles C4'-P-C4' energy: -146.678 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -107.308 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1327.626236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.626236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.626236 (E_RNA) where: Base-Base interactions energy: -694.231 where: short stacking energy: -445.759 Base-Backbone interact. energy: 0.840 local terms energy: -634.235504 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -131.248 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -94.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1444.845772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.845772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.845772 (E_RNA) where: Base-Base interactions energy: -832.533 where: short stacking energy: -468.181 Base-Backbone interact. energy: -0.137 local terms energy: -612.175729 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -141.527 flat angles C4'-P-C4' energy: -150.297 flat angles P-C4'-P energy: -81.448 tors. eta vs tors. theta energy: -101.251 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: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1048.912442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.912442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.912442 (E_RNA) where: Base-Base interactions energy: -484.984 where: short stacking energy: -335.061 Base-Backbone interact. energy: -4.493 local terms energy: -559.435077 where: bonds (distance) C4'-P energy: -134.860 bonds (distance) P-C4' energy: -159.291 flat angles C4'-P-C4' energy: -134.172 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -36.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1011.510374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.510374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.510374 (E_RNA) where: Base-Base interactions energy: -478.150 where: short stacking energy: -352.691 Base-Backbone interact. energy: 2.442 local terms energy: -535.801692 where: bonds (distance) C4'-P energy: -130.098 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -127.763 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: -56.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -856.227423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.227423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.227423 (E_RNA) where: Base-Base interactions energy: -335.959 where: short stacking energy: -283.905 Base-Backbone interact. energy: -2.383 local terms energy: -517.885648 where: bonds (distance) C4'-P energy: -142.798 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -34.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -800.355961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.355961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.355961 (E_RNA) where: Base-Base interactions energy: -339.200 where: short stacking energy: -249.252 Base-Backbone interact. energy: -2.637 local terms energy: -458.518826 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -151.158 flat angles C4'-P-C4' energy: -113.058 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: -11.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -743.901382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.901382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.901382 (E_RNA) where: Base-Base interactions energy: -317.946 where: short stacking energy: -247.529 Base-Backbone interact. energy: -1.812 local terms energy: -424.144045 where: bonds (distance) C4'-P energy: -143.183 bonds (distance) P-C4' energy: -126.332 flat angles C4'-P-C4' energy: -105.710 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -590.615996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.615996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.615996 (E_RNA) where: Base-Base interactions energy: -192.184 where: short stacking energy: -143.700 Base-Backbone interact. energy: 3.926 local terms energy: -402.358379 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -139.233 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: 20.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1609.262400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.262400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.262400 (E_RNA) where: Base-Base interactions energy: -868.956 where: short stacking energy: -571.004 Base-Backbone interact. energy: -1.072 local terms energy: -739.234111 where: bonds (distance) C4'-P energy: -144.324 bonds (distance) P-C4' energy: -168.575 flat angles C4'-P-C4' energy: -167.330 flat angles P-C4'-P energy: -102.078 tors. eta vs tors. theta energy: -156.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1361.162885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.162885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.162885 (E_RNA) where: Base-Base interactions energy: -708.255 where: short stacking energy: -526.077 Base-Backbone interact. energy: -2.263 local terms energy: -650.644929 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -111.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1520.881814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.881814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.881814 (E_RNA) where: Base-Base interactions energy: -845.548 where: short stacking energy: -489.304 Base-Backbone interact. energy: 4.275 local terms energy: -679.609028 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -163.944 flat angles C4'-P-C4' energy: -158.907 flat angles P-C4'-P energy: -110.422 tors. eta vs tors. theta energy: -100.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1325.156684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.156684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.156684 (E_RNA) where: Base-Base interactions energy: -723.045 where: short stacking energy: -462.194 Base-Backbone interact. energy: -0.512 local terms energy: -601.600114 where: bonds (distance) C4'-P energy: -143.983 bonds (distance) P-C4' energy: -147.334 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -83.863 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: 10 Temperature: 1.100000 Total energy: -1123.457619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.457619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.457619 (E_RNA) where: Base-Base interactions energy: -550.714 where: short stacking energy: -398.868 Base-Backbone interact. energy: -0.087 local terms energy: -572.656610 where: bonds (distance) C4'-P energy: -134.791 bonds (distance) P-C4' energy: -142.250 flat angles C4'-P-C4' energy: -143.731 flat angles P-C4'-P energy: -79.247 tors. eta vs tors. theta energy: -72.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1012.324201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.324201 (E_RNA) where: Base-Base interactions energy: -517.791 where: short stacking energy: -302.253 Base-Backbone interact. energy: -1.212 local terms energy: -493.321366 where: bonds (distance) C4'-P energy: -128.602 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -131.099 flat angles P-C4'-P energy: -65.023 tors. eta vs tors. theta energy: -31.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -924.405354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.405354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.405354 (E_RNA) where: Base-Base interactions energy: -438.717 where: short stacking energy: -290.880 Base-Backbone interact. energy: -0.901 local terms energy: -484.787752 where: bonds (distance) C4'-P energy: -122.955 bonds (distance) P-C4' energy: -148.984 flat angles C4'-P-C4' energy: -114.590 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: -18.889 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: 10 Temperature: 1.250000 Total energy: -750.670897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.670897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.670897 (E_RNA) where: Base-Base interactions energy: -279.983 where: short stacking energy: -228.712 Base-Backbone interact. energy: -1.991 local terms energy: -468.696697 where: bonds (distance) C4'-P energy: -128.820 bonds (distance) P-C4' energy: -128.962 flat angles C4'-P-C4' energy: -125.794 flat angles P-C4'-P energy: -85.366 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -666.582234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.582234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.582234 (E_RNA) where: Base-Base interactions energy: -246.069 where: short stacking energy: -192.553 Base-Backbone interact. energy: 0.843 local terms energy: -421.355666 where: bonds (distance) C4'-P energy: -123.472 bonds (distance) P-C4' energy: -123.903 flat angles C4'-P-C4' energy: -124.985 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: 11.020 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: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -555.621082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.621082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.621082 (E_RNA) where: Base-Base interactions energy: -191.650 where: short stacking energy: -162.795 Base-Backbone interact. energy: -1.056 local terms energy: -362.914922 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -115.744 flat angles C4'-P-C4' energy: -84.713 flat angles P-C4'-P energy: -63.068 tors. eta vs tors. theta energy: 24.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1619.479519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.479519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.479519 (E_RNA) where: Base-Base interactions energy: -876.097 where: short stacking energy: -553.708 Base-Backbone interact. energy: -1.912 local terms energy: -741.470233 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -161.793 flat angles C4'-P-C4' energy: -162.773 flat angles P-C4'-P energy: -104.927 tors. eta vs tors. theta energy: -156.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1669.780491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.780491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.780491 (E_RNA) where: Base-Base interactions energy: -980.707 where: short stacking energy: -552.807 Base-Backbone interact. energy: -0.827 local terms energy: -688.246925 where: bonds (distance) C4'-P energy: -150.809 bonds (distance) P-C4' energy: -146.793 flat angles C4'-P-C4' energy: -165.926 flat angles P-C4'-P energy: -97.690 tors. eta vs tors. theta energy: -127.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1368.535204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.535204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.535204 (E_RNA) where: Base-Base interactions energy: -716.615 where: short stacking energy: -483.561 Base-Backbone interact. energy: -0.746 local terms energy: -651.174774 where: bonds (distance) C4'-P energy: -148.082 bonds (distance) P-C4' energy: -157.230 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -106.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1391.748485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.748485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.748485 (E_RNA) where: Base-Base interactions energy: -759.630 where: short stacking energy: -432.999 Base-Backbone interact. energy: -1.099 local terms energy: -631.019913 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -151.728 flat angles C4'-P-C4' energy: -144.492 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -104.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1139.913841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.913841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.913841 (E_RNA) where: Base-Base interactions energy: -575.035 where: short stacking energy: -402.789 Base-Backbone interact. energy: -1.544 local terms energy: -563.335224 where: bonds (distance) C4'-P energy: -145.719 bonds (distance) P-C4' energy: -145.583 flat angles C4'-P-C4' energy: -137.955 flat angles P-C4'-P energy: -64.515 tors. eta vs tors. theta energy: -69.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1004.254386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.254386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.254386 (E_RNA) where: Base-Base interactions energy: -514.689 where: short stacking energy: -319.667 Base-Backbone interact. energy: -2.402 local terms energy: -487.163105 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -126.466 flat angles C4'-P-C4' energy: -126.935 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -32.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -860.969091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.969091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.969091 (E_RNA) where: Base-Base interactions energy: -376.791 where: short stacking energy: -268.560 Base-Backbone interact. energy: -0.418 local terms energy: -483.759460 where: bonds (distance) C4'-P energy: -139.179 bonds (distance) P-C4' energy: -147.633 flat angles C4'-P-C4' energy: -138.774 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -758.705781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.705781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.705781 (E_RNA) where: Base-Base interactions energy: -282.806 where: short stacking energy: -229.760 Base-Backbone interact. energy: -0.803 local terms energy: -475.097153 where: bonds (distance) C4'-P energy: -133.026 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -130.444 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: -11.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -769.393112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.393112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.393112 (E_RNA) where: Base-Base interactions energy: -328.929 where: short stacking energy: -220.684 Base-Backbone interact. energy: -1.329 local terms energy: -439.135129 where: bonds (distance) C4'-P energy: -134.952 bonds (distance) P-C4' energy: -114.950 flat angles C4'-P-C4' energy: -108.803 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -8.126 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: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -625.784544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.784544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.784544 (E_RNA) where: Base-Base interactions energy: -251.922 where: short stacking energy: -186.622 Base-Backbone interact. energy: -1.700 local terms energy: -372.162550 where: bonds (distance) C4'-P energy: -118.467 bonds (distance) P-C4' energy: -122.625 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: 37.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1742.568759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.568759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.568759 (E_RNA) where: Base-Base interactions energy: -1017.951 where: short stacking energy: -588.369 Base-Backbone interact. energy: -3.325 local terms energy: -721.292188 where: bonds (distance) C4'-P energy: -162.553 bonds (distance) P-C4' energy: -171.055 flat angles C4'-P-C4' energy: -155.886 flat angles P-C4'-P energy: -92.499 tors. eta vs tors. theta energy: -139.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1585.002949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.002949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.002949 (E_RNA) where: Base-Base interactions energy: -878.863 where: short stacking energy: -554.991 Base-Backbone interact. energy: -2.782 local terms energy: -703.357868 where: bonds (distance) C4'-P energy: -153.064 bonds (distance) P-C4' energy: -137.277 flat angles C4'-P-C4' energy: -167.307 flat angles P-C4'-P energy: -103.132 tors. eta vs tors. theta energy: -142.578 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: 12 Temperature: 1.000000 Total energy: -1542.080331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.080331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.080331 (E_RNA) where: Base-Base interactions energy: -932.418 where: short stacking energy: -498.030 Base-Backbone interact. energy: -3.794 local terms energy: -605.868518 where: bonds (distance) C4'-P energy: -139.113 bonds (distance) P-C4' energy: -148.341 flat angles C4'-P-C4' energy: -140.003 flat angles P-C4'-P energy: -81.233 tors. eta vs tors. theta energy: -97.178 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: 12 Temperature: 1.050000 Total energy: -1309.664244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.664244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.664244 (E_RNA) where: Base-Base interactions energy: -681.706 where: short stacking energy: -460.410 Base-Backbone interact. energy: -2.035 local terms energy: -625.922822 where: bonds (distance) C4'-P energy: -148.023 bonds (distance) P-C4' energy: -135.120 flat angles C4'-P-C4' energy: -158.063 flat angles P-C4'-P energy: -95.249 tors. eta vs tors. theta energy: -89.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1245.570650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.570650 (E_RNA) where: Base-Base interactions energy: -694.935 where: short stacking energy: -399.816 Base-Backbone interact. energy: 2.516 local terms energy: -553.151339 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -129.488 flat angles P-C4'-P energy: -83.803 tors. eta vs tors. theta energy: -56.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1009.924561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.924561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.924561 (E_RNA) where: Base-Base interactions energy: -482.629 where: short stacking energy: -311.912 Base-Backbone interact. energy: -0.698 local terms energy: -526.597891 where: bonds (distance) C4'-P energy: -134.876 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -129.844 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -27.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -903.444008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.444008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.444008 (E_RNA) where: Base-Base interactions energy: -428.167 where: short stacking energy: -303.190 Base-Backbone interact. energy: 2.444 local terms energy: -477.721579 where: bonds (distance) C4'-P energy: -128.448 bonds (distance) P-C4' energy: -130.818 flat angles C4'-P-C4' energy: -104.562 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -29.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -745.553373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.553373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.553373 (E_RNA) where: Base-Base interactions energy: -304.205 where: short stacking energy: -220.124 Base-Backbone interact. energy: 3.650 local terms energy: -444.998278 where: bonds (distance) C4'-P energy: -112.199 bonds (distance) P-C4' energy: -153.599 flat angles C4'-P-C4' energy: -107.659 flat angles P-C4'-P energy: -74.735 tors. eta vs tors. theta energy: 3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -665.095014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.095014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.095014 (E_RNA) where: Base-Base interactions energy: -257.527 where: short stacking energy: -234.623 Base-Backbone interact. energy: 0.796 local terms energy: -408.364234 where: bonds (distance) C4'-P energy: -134.512 bonds (distance) P-C4' energy: -114.019 flat angles C4'-P-C4' energy: -103.878 flat angles P-C4'-P energy: -60.870 tors. eta vs tors. theta energy: 4.915 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: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -745.638629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.638629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.638629 (E_RNA) where: Base-Base interactions energy: -343.726 where: short stacking energy: -241.567 Base-Backbone interact. energy: -1.874 local terms energy: -400.038330 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -133.423 flat angles C4'-P-C4' energy: -125.718 flat angles P-C4'-P energy: -54.004 tors. eta vs tors. theta energy: 11.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1828.802439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.802439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.802439 (E_RNA) where: Base-Base interactions energy: -1079.955 where: short stacking energy: -627.734 Base-Backbone interact. energy: -2.969 local terms energy: -745.878182 where: bonds (distance) C4'-P energy: -164.117 bonds (distance) P-C4' energy: -163.923 flat angles C4'-P-C4' energy: -167.882 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -151.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1668.607597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.607597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.607597 (E_RNA) where: Base-Base interactions energy: -965.519 where: short stacking energy: -535.094 Base-Backbone interact. energy: -1.985 local terms energy: -701.103857 where: bonds (distance) C4'-P energy: -139.590 bonds (distance) P-C4' energy: -155.682 flat angles C4'-P-C4' energy: -154.137 flat angles P-C4'-P energy: -120.279 tors. eta vs tors. theta energy: -131.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1477.923799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.923799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.923799 (E_RNA) where: Base-Base interactions energy: -831.996 where: short stacking energy: -477.461 Base-Backbone interact. energy: 2.662 local terms energy: -648.589990 where: bonds (distance) C4'-P energy: -143.610 bonds (distance) P-C4' energy: -130.746 flat angles C4'-P-C4' energy: -149.384 flat angles P-C4'-P energy: -108.471 tors. eta vs tors. theta energy: -116.380 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: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1406.554718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.554718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.554718 (E_RNA) where: Base-Base interactions energy: -771.474 where: short stacking energy: -452.525 Base-Backbone interact. energy: -0.925 local terms energy: -634.156312 where: bonds (distance) C4'-P energy: -141.475 bonds (distance) P-C4' energy: -155.539 flat angles C4'-P-C4' energy: -149.941 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -89.623 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: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1150.171609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.171609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.171609 (E_RNA) where: Base-Base interactions energy: -605.894 where: short stacking energy: -405.184 Base-Backbone interact. energy: 1.907 local terms energy: -546.184326 where: bonds (distance) C4'-P energy: -148.612 bonds (distance) P-C4' energy: -122.939 flat angles C4'-P-C4' energy: -129.357 flat angles P-C4'-P energy: -66.252 tors. eta vs tors. theta energy: -79.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1135.939201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.939201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.939201 (E_RNA) where: Base-Base interactions energy: -604.182 where: short stacking energy: -349.297 Base-Backbone interact. energy: -2.684 local terms energy: -529.073267 where: bonds (distance) C4'-P energy: -142.172 bonds (distance) P-C4' energy: -128.523 flat angles C4'-P-C4' energy: -131.292 flat angles P-C4'-P energy: -78.657 tors. eta vs tors. theta energy: -48.430 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: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -889.035526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.035526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.035526 (E_RNA) where: Base-Base interactions energy: -410.721 where: short stacking energy: -306.256 Base-Backbone interact. energy: 2.372 local terms energy: -480.685837 where: bonds (distance) C4'-P energy: -133.865 bonds (distance) P-C4' energy: -137.597 flat angles C4'-P-C4' energy: -122.839 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: -19.960 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: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -805.883090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.883090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.883090 (E_RNA) where: Base-Base interactions energy: -349.076 where: short stacking energy: -234.861 Base-Backbone interact. energy: -1.312 local terms energy: -455.494519 where: bonds (distance) C4'-P energy: -132.933 bonds (distance) P-C4' energy: -110.423 flat angles C4'-P-C4' energy: -123.493 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -694.192383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.192383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.192383 (E_RNA) where: Base-Base interactions energy: -266.504 where: short stacking energy: -192.345 Base-Backbone interact. energy: 8.282 local terms energy: -435.970173 where: bonds (distance) C4'-P energy: -121.403 bonds (distance) P-C4' energy: -146.154 flat angles C4'-P-C4' energy: -103.146 flat angles P-C4'-P energy: -79.220 tors. eta vs tors. theta energy: 13.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -754.269108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.269108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.269108 (E_RNA) where: Base-Base interactions energy: -335.784 where: short stacking energy: -230.551 Base-Backbone interact. energy: -0.090 local terms energy: -418.394768 where: bonds (distance) C4'-P energy: -123.112 bonds (distance) P-C4' energy: -125.843 flat angles C4'-P-C4' energy: -103.368 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: 8.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1926.355725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.355725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.355725 (E_RNA) where: Base-Base interactions energy: -1182.358 where: short stacking energy: -638.712 Base-Backbone interact. energy: -1.410 local terms energy: -742.587448 where: bonds (distance) C4'-P energy: -156.757 bonds (distance) P-C4' energy: -160.821 flat angles C4'-P-C4' energy: -161.323 flat angles P-C4'-P energy: -109.709 tors. eta vs tors. theta energy: -153.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1705.694684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.694684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.694684 (E_RNA) where: Base-Base interactions energy: -1027.786 where: short stacking energy: -544.379 Base-Backbone interact. energy: -1.668 local terms energy: -676.240780 where: bonds (distance) C4'-P energy: -148.311 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -162.323 flat angles P-C4'-P energy: -92.075 tors. eta vs tors. theta energy: -127.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1566.408854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.408854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.408854 (E_RNA) where: Base-Base interactions energy: -877.893 where: short stacking energy: -523.138 Base-Backbone interact. energy: -1.729 local terms energy: -686.786956 where: bonds (distance) C4'-P energy: -138.063 bonds (distance) P-C4' energy: -165.082 flat angles C4'-P-C4' energy: -148.574 flat angles P-C4'-P energy: -101.425 tors. eta vs tors. theta energy: -133.643 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: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1402.997996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.997996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.997996 (E_RNA) where: Base-Base interactions energy: -746.476 where: short stacking energy: -459.384 Base-Backbone interact. energy: -1.314 local terms energy: -655.207778 where: bonds (distance) C4'-P energy: -147.819 bonds (distance) P-C4' energy: -138.030 flat angles C4'-P-C4' energy: -165.985 flat angles P-C4'-P energy: -96.626 tors. eta vs tors. theta energy: -106.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1295.355067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.355067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.355067 (E_RNA) where: Base-Base interactions energy: -718.899 where: short stacking energy: -392.348 Base-Backbone interact. energy: -0.002 local terms energy: -576.454175 where: bonds (distance) C4'-P energy: -144.623 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -87.199 tors. eta vs tors. theta energy: -60.281 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: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1083.693502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.693502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.693502 (E_RNA) where: Base-Base interactions energy: -557.514 where: short stacking energy: -373.403 Base-Backbone interact. energy: -1.287 local terms energy: -524.892820 where: bonds (distance) C4'-P energy: -140.686 bonds (distance) P-C4' energy: -135.718 flat angles C4'-P-C4' energy: -116.136 flat angles P-C4'-P energy: -71.130 tors. eta vs tors. theta energy: -61.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -964.977442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.977442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.977442 (E_RNA) where: Base-Base interactions energy: -441.961 where: short stacking energy: -264.495 Base-Backbone interact. energy: -2.597 local terms energy: -520.419133 where: bonds (distance) C4'-P energy: -135.109 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -131.258 flat angles P-C4'-P energy: -80.274 tors. eta vs tors. theta energy: -23.728 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: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -901.012967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.012967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.012967 (E_RNA) where: Base-Base interactions energy: -440.696 where: short stacking energy: -273.569 Base-Backbone interact. energy: -1.425 local terms energy: -458.892377 where: bonds (distance) C4'-P energy: -117.301 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -19.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -816.327588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.327588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.327588 (E_RNA) where: Base-Base interactions energy: -364.022 where: short stacking energy: -216.966 Base-Backbone interact. energy: -1.649 local terms energy: -450.657188 where: bonds (distance) C4'-P energy: -137.726 bonds (distance) P-C4' energy: -145.156 flat angles C4'-P-C4' energy: -123.134 flat angles P-C4'-P energy: -58.884 tors. eta vs tors. theta energy: 14.242 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: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -705.183450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.183450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.183450 (E_RNA) where: Base-Base interactions energy: -336.728 where: short stacking energy: -200.384 Base-Backbone interact. energy: 6.535 local terms energy: -374.989917 where: bonds (distance) C4'-P energy: -116.120 bonds (distance) P-C4' energy: -120.622 flat angles C4'-P-C4' energy: -110.237 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: 25.683 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1897.420959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.420959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.420959 (E_RNA) where: Base-Base interactions energy: -1162.594 where: short stacking energy: -607.689 Base-Backbone interact. energy: -3.446 local terms energy: -731.381166 where: bonds (distance) C4'-P energy: -161.370 bonds (distance) P-C4' energy: -165.803 flat angles C4'-P-C4' energy: -160.230 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -148.711 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1771.162468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.162468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.162468 (E_RNA) where: Base-Base interactions energy: -1074.086 where: short stacking energy: -548.445 Base-Backbone interact. energy: -2.604 local terms energy: -694.472522 where: bonds (distance) C4'-P energy: -138.020 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -108.862 tors. eta vs tors. theta energy: -128.096 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: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1629.560325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.560325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.560325 (E_RNA) where: Base-Base interactions energy: -976.807 where: short stacking energy: -553.243 Base-Backbone interact. energy: 1.328 local terms energy: -654.081542 where: bonds (distance) C4'-P energy: -139.290 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -94.950 tors. eta vs tors. theta energy: -125.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1426.782533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.782533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.782533 (E_RNA) where: Base-Base interactions energy: -833.212 where: short stacking energy: -429.804 Base-Backbone interact. energy: -3.127 local terms energy: -590.442751 where: bonds (distance) C4'-P energy: -141.997 bonds (distance) P-C4' energy: -147.945 flat angles C4'-P-C4' energy: -128.710 flat angles P-C4'-P energy: -89.680 tors. eta vs tors. theta energy: -82.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1306.876184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.876184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.876184 (E_RNA) where: Base-Base interactions energy: -726.473 where: short stacking energy: -426.112 Base-Backbone interact. energy: -2.103 local terms energy: -578.299845 where: bonds (distance) C4'-P energy: -128.736 bonds (distance) P-C4' energy: -146.868 flat angles C4'-P-C4' energy: -141.617 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -87.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1026.847190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.847190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.847190 (E_RNA) where: Base-Base interactions energy: -506.069 where: short stacking energy: -330.463 Base-Backbone interact. energy: 0.480 local terms energy: -521.257864 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -129.052 flat angles P-C4'-P energy: -77.396 tors. eta vs tors. theta energy: -50.131 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: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1044.652839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.652839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.652839 (E_RNA) where: Base-Base interactions energy: -535.671 where: short stacking energy: -344.434 Base-Backbone interact. energy: -3.085 local terms energy: -505.896823 where: bonds (distance) C4'-P energy: -117.162 bonds (distance) P-C4' energy: -137.449 flat angles C4'-P-C4' energy: -137.780 flat angles P-C4'-P energy: -78.244 tors. eta vs tors. theta energy: -35.262 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: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -857.206140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.206140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.206140 (E_RNA) where: Base-Base interactions energy: -393.729 where: short stacking energy: -251.394 Base-Backbone interact. energy: 0.790 local terms energy: -464.267224 where: bonds (distance) C4'-P energy: -148.222 bonds (distance) P-C4' energy: -130.769 flat angles C4'-P-C4' energy: -102.704 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -20.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -819.270993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.270993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.270993 (E_RNA) where: Base-Base interactions energy: -415.987 where: short stacking energy: -274.192 Base-Backbone interact. energy: 3.786 local terms energy: -407.069357 where: bonds (distance) C4'-P energy: -118.501 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -0.278 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: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -661.209896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.209896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.209896 (E_RNA) where: Base-Base interactions energy: -291.758 where: short stacking energy: -165.236 Base-Backbone interact. energy: 2.793 local terms energy: -372.245559 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -125.896 flat angles C4'-P-C4' energy: -89.446 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: 28.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1924.289199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.289199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.289199 (E_RNA) where: Base-Base interactions energy: -1193.397 where: short stacking energy: -616.811 Base-Backbone interact. energy: 0.881 local terms energy: -731.774003 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -139.129 flat angles C4'-P-C4' energy: -180.799 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -154.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1832.690850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.690850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.690850 (E_RNA) where: Base-Base interactions energy: -1132.621 where: short stacking energy: -579.093 Base-Backbone interact. energy: -3.428 local terms energy: -696.642099 where: bonds (distance) C4'-P energy: -140.102 bonds (distance) P-C4' energy: -159.752 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -92.495 tors. eta vs tors. theta energy: -146.211 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1649.091118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.091118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.091118 (E_RNA) where: Base-Base interactions energy: -987.783 where: short stacking energy: -550.000 Base-Backbone interact. energy: 0.783 local terms energy: -662.090753 where: bonds (distance) C4'-P energy: -150.604 bonds (distance) P-C4' energy: -150.946 flat angles C4'-P-C4' energy: -154.792 flat angles P-C4'-P energy: -93.179 tors. eta vs tors. theta energy: -112.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1485.634900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.634900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.634900 (E_RNA) where: Base-Base interactions energy: -897.292 where: short stacking energy: -447.807 Base-Backbone interact. energy: 3.052 local terms energy: -591.394538 where: bonds (distance) C4'-P energy: -137.211 bonds (distance) P-C4' energy: -132.155 flat angles C4'-P-C4' energy: -141.500 flat angles P-C4'-P energy: -99.367 tors. eta vs tors. theta energy: -81.161 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: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1307.539390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.539390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.539390 (E_RNA) where: Base-Base interactions energy: -710.103 where: short stacking energy: -418.470 Base-Backbone interact. energy: 1.485 local terms energy: -598.921839 where: bonds (distance) C4'-P energy: -149.757 bonds (distance) P-C4' energy: -136.928 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -86.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -979.083037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.083037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.083037 (E_RNA) where: Base-Base interactions energy: -451.756 where: short stacking energy: -283.106 Base-Backbone interact. energy: -1.874 local terms energy: -525.453357 where: bonds (distance) C4'-P energy: -133.949 bonds (distance) P-C4' energy: -151.793 flat angles C4'-P-C4' energy: -120.125 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -46.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1023.944378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.944378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.944378 (E_RNA) where: Base-Base interactions energy: -524.942 where: short stacking energy: -340.431 Base-Backbone interact. energy: -1.115 local terms energy: -497.887161 where: bonds (distance) C4'-P energy: -111.605 bonds (distance) P-C4' energy: -134.539 flat angles C4'-P-C4' energy: -131.562 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -43.169 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: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -805.685133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.685133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.685133 (E_RNA) where: Base-Base interactions energy: -379.517 where: short stacking energy: -229.072 Base-Backbone interact. energy: 3.175 local terms energy: -429.343182 where: bonds (distance) C4'-P energy: -122.874 bonds (distance) P-C4' energy: -141.001 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: 2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -780.574098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.574098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.574098 (E_RNA) where: Base-Base interactions energy: -344.449 where: short stacking energy: -220.190 Base-Backbone interact. energy: -1.094 local terms energy: -435.030715 where: bonds (distance) C4'-P energy: -125.384 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -119.931 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: 20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -680.051616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.051616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.051616 (E_RNA) where: Base-Base interactions energy: -307.175 where: short stacking energy: -219.124 Base-Backbone interact. energy: 6.698 local terms energy: -379.574785 where: bonds (distance) C4'-P energy: -101.858 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -115.676 flat angles P-C4'-P energy: -62.505 tors. eta vs tors. theta energy: 12.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1999.575154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.575154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.575154 (E_RNA) where: Base-Base interactions energy: -1252.276 where: short stacking energy: -651.418 Base-Backbone interact. energy: -2.741 local terms energy: -744.558321 where: bonds (distance) C4'-P energy: -159.661 bonds (distance) P-C4' energy: -157.822 flat angles C4'-P-C4' energy: -145.456 flat angles P-C4'-P energy: -111.946 tors. eta vs tors. theta energy: -169.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1873.358269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.358269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.358269 (E_RNA) where: Base-Base interactions energy: -1165.430 where: short stacking energy: -597.014 Base-Backbone interact. energy: -2.490 local terms energy: -705.438067 where: bonds (distance) C4'-P energy: -160.219 bonds (distance) P-C4' energy: -146.466 flat angles C4'-P-C4' energy: -175.849 flat angles P-C4'-P energy: -88.121 tors. eta vs tors. theta energy: -134.782 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1646.696903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.696903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.696903 (E_RNA) where: Base-Base interactions energy: -1026.424 where: short stacking energy: -502.359 Base-Backbone interact. energy: -3.825 local terms energy: -616.447306 where: bonds (distance) C4'-P energy: -137.715 bonds (distance) P-C4' energy: -123.449 flat angles C4'-P-C4' energy: -149.266 flat angles P-C4'-P energy: -93.512 tors. eta vs tors. theta energy: -112.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1535.075598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.075598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.075598 (E_RNA) where: Base-Base interactions energy: -904.455 where: short stacking energy: -452.619 Base-Backbone interact. energy: -3.212 local terms energy: -627.408748 where: bonds (distance) C4'-P energy: -124.762 bonds (distance) P-C4' energy: -157.564 flat angles C4'-P-C4' energy: -157.223 flat angles P-C4'-P energy: -96.299 tors. eta vs tors. theta energy: -91.562 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: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1358.164685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.164685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.164685 (E_RNA) where: Base-Base interactions energy: -775.569 where: short stacking energy: -423.890 Base-Backbone interact. energy: -1.416 local terms energy: -581.179911 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -155.348 flat angles C4'-P-C4' energy: -128.448 flat angles P-C4'-P energy: -92.279 tors. eta vs tors. theta energy: -76.282 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: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1155.155355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.155355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.155355 (E_RNA) where: Base-Base interactions energy: -606.936 where: short stacking energy: -365.087 Base-Backbone interact. energy: 0.938 local terms energy: -549.157327 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -139.733 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -61.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1010.998393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.998393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.998393 (E_RNA) where: Base-Base interactions energy: -520.007 where: short stacking energy: -331.422 Base-Backbone interact. energy: -4.580 local terms energy: -486.411503 where: bonds (distance) C4'-P energy: -117.375 bonds (distance) P-C4' energy: -146.673 flat angles C4'-P-C4' energy: -119.341 flat angles P-C4'-P energy: -62.976 tors. eta vs tors. theta energy: -40.046 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: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -890.830912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.830912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.830912 (E_RNA) where: Base-Base interactions energy: -436.250 where: short stacking energy: -260.572 Base-Backbone interact. energy: 0.907 local terms energy: -455.487922 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -146.752 flat angles C4'-P-C4' energy: -119.837 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: -6.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -775.755213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.755213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.755213 (E_RNA) where: Base-Base interactions energy: -354.697 where: short stacking energy: -222.787 Base-Backbone interact. energy: 0.850 local terms energy: -421.908364 where: bonds (distance) C4'-P energy: -121.203 bonds (distance) P-C4' energy: -136.269 flat angles C4'-P-C4' energy: -102.394 flat angles P-C4'-P energy: -60.376 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: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -645.836276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.836276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.836276 (E_RNA) where: Base-Base interactions energy: -286.416 where: short stacking energy: -228.329 Base-Backbone interact. energy: -3.273 local terms energy: -356.147155 where: bonds (distance) C4'-P energy: -106.757 bonds (distance) P-C4' energy: -119.695 flat angles C4'-P-C4' energy: -97.213 flat angles P-C4'-P energy: -58.104 tors. eta vs tors. theta energy: 25.623 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: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2012.437406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.437406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.437406 (E_RNA) where: Base-Base interactions energy: -1255.395 where: short stacking energy: -624.302 Base-Backbone interact. energy: -1.122 local terms energy: -755.920696 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -168.521 flat angles C4'-P-C4' energy: -166.845 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -171.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1950.529500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.529500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.529500 (E_RNA) where: Base-Base interactions energy: -1220.189 where: short stacking energy: -604.566 Base-Backbone interact. energy: -2.353 local terms energy: -727.987773 where: bonds (distance) C4'-P energy: -153.602 bonds (distance) P-C4' energy: -165.623 flat angles C4'-P-C4' energy: -175.509 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -143.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1635.979096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.979096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.979096 (E_RNA) where: Base-Base interactions energy: -986.661 where: short stacking energy: -489.424 Base-Backbone interact. energy: -0.109 local terms energy: -649.209602 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -153.782 flat angles C4'-P-C4' energy: -146.544 flat angles P-C4'-P energy: -107.006 tors. eta vs tors. theta energy: -100.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1662.940442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.940442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.940442 (E_RNA) where: Base-Base interactions energy: -1010.279 where: short stacking energy: -531.818 Base-Backbone interact. energy: -2.854 local terms energy: -649.807861 where: bonds (distance) C4'-P energy: -151.155 bonds (distance) P-C4' energy: -135.116 flat angles C4'-P-C4' energy: -149.514 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -126.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1392.270552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.270552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.270552 (E_RNA) where: Base-Base interactions energy: -784.794 where: short stacking energy: -441.417 Base-Backbone interact. energy: 0.500 local terms energy: -607.976000 where: bonds (distance) C4'-P energy: -140.611 bonds (distance) P-C4' energy: -148.331 flat angles C4'-P-C4' energy: -123.418 flat angles P-C4'-P energy: -95.336 tors. eta vs tors. theta energy: -100.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1219.131231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.131231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.131231 (E_RNA) where: Base-Base interactions energy: -642.564 where: short stacking energy: -382.418 Base-Backbone interact. energy: -1.003 local terms energy: -575.563680 where: bonds (distance) C4'-P energy: -148.653 bonds (distance) P-C4' energy: -135.192 flat angles C4'-P-C4' energy: -147.714 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -65.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -978.643131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.643131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.643131 (E_RNA) where: Base-Base interactions energy: -464.599 where: short stacking energy: -282.705 Base-Backbone interact. energy: 1.882 local terms energy: -515.926094 where: bonds (distance) C4'-P energy: -146.392 bonds (distance) P-C4' energy: -141.563 flat angles C4'-P-C4' energy: -122.183 flat angles P-C4'-P energy: -79.178 tors. eta vs tors. theta energy: -26.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -954.802590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.802590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.802590 (E_RNA) where: Base-Base interactions energy: -482.369 where: short stacking energy: -253.348 Base-Backbone interact. energy: -3.344 local terms energy: -469.089508 where: bonds (distance) C4'-P energy: -124.885 bonds (distance) P-C4' energy: -138.071 flat angles C4'-P-C4' energy: -122.120 flat angles P-C4'-P energy: -76.468 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -817.569491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.569491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.569491 (E_RNA) where: Base-Base interactions energy: -370.951 where: short stacking energy: -225.357 Base-Backbone interact. energy: -1.635 local terms energy: -444.982716 where: bonds (distance) C4'-P energy: -134.663 bonds (distance) P-C4' energy: -136.697 flat angles C4'-P-C4' energy: -99.126 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -6.465 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: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -719.436259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.436259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.436259 (E_RNA) where: Base-Base interactions energy: -330.810 where: short stacking energy: -189.738 Base-Backbone interact. energy: 1.179 local terms energy: -389.805156 where: bonds (distance) C4'-P energy: -123.039 bonds (distance) P-C4' energy: -131.394 flat angles C4'-P-C4' energy: -101.632 flat angles P-C4'-P energy: -67.129 tors. eta vs tors. theta energy: 33.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2020.730801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.730801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.730801 (E_RNA) where: Base-Base interactions energy: -1272.669 where: short stacking energy: -671.289 Base-Backbone interact. energy: -1.396 local terms energy: -746.665316 where: bonds (distance) C4'-P energy: -139.035 bonds (distance) P-C4' energy: -174.318 flat angles C4'-P-C4' energy: -166.757 flat angles P-C4'-P energy: -106.922 tors. eta vs tors. theta energy: -159.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2019.356862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.356862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.356862 (E_RNA) where: Base-Base interactions energy: -1279.104 where: short stacking energy: -637.268 Base-Backbone interact. energy: -5.073 local terms energy: -735.179800 where: bonds (distance) C4'-P energy: -150.783 bonds (distance) P-C4' energy: -158.688 flat angles C4'-P-C4' energy: -157.371 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -169.016 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: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1705.655115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.655115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.655115 (E_RNA) where: Base-Base interactions energy: -1056.700 where: short stacking energy: -536.459 Base-Backbone interact. energy: -0.385 local terms energy: -648.570038 where: bonds (distance) C4'-P energy: -151.359 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -147.161 flat angles P-C4'-P energy: -99.302 tors. eta vs tors. theta energy: -109.943 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: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1610.220806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.220806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.220806 (E_RNA) where: Base-Base interactions energy: -968.439 where: short stacking energy: -480.711 Base-Backbone interact. energy: -2.860 local terms energy: -638.922030 where: bonds (distance) C4'-P energy: -150.286 bonds (distance) P-C4' energy: -135.261 flat angles C4'-P-C4' energy: -159.652 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -101.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1440.305102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.305102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.305102 (E_RNA) where: Base-Base interactions energy: -826.944 where: short stacking energy: -452.708 Base-Backbone interact. energy: -4.563 local terms energy: -608.798190 where: bonds (distance) C4'-P energy: -139.479 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -134.396 flat angles P-C4'-P energy: -84.848 tors. eta vs tors. theta energy: -98.125 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: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1241.168057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.168057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.168057 (E_RNA) where: Base-Base interactions energy: -674.467 where: short stacking energy: -388.109 Base-Backbone interact. energy: 0.916 local terms energy: -567.616538 where: bonds (distance) C4'-P energy: -144.683 bonds (distance) P-C4' energy: -141.471 flat angles C4'-P-C4' energy: -143.019 flat angles P-C4'-P energy: -74.066 tors. eta vs tors. theta energy: -64.377 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: 7, replica: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -995.241037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.241037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.241037 (E_RNA) where: Base-Base interactions energy: -511.808 where: short stacking energy: -320.349 Base-Backbone interact. energy: 3.707 local terms energy: -487.139911 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -121.335 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: -34.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -874.072232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.072232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.072232 (E_RNA) where: Base-Base interactions energy: -413.129 where: short stacking energy: -239.511 Base-Backbone interact. energy: 0.263 local terms energy: -461.205909 where: bonds (distance) C4'-P energy: -125.822 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -115.652 flat angles P-C4'-P energy: -83.136 tors. eta vs tors. theta energy: -10.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -882.011380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.011380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.011380 (E_RNA) where: Base-Base interactions energy: -431.398 where: short stacking energy: -253.559 Base-Backbone interact. energy: 4.369 local terms energy: -454.981938 where: bonds (distance) C4'-P energy: -119.574 bonds (distance) P-C4' energy: -139.844 flat angles C4'-P-C4' energy: -105.437 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -0.137 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: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -777.485476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.485476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.485476 (E_RNA) where: Base-Base interactions energy: -355.497 where: short stacking energy: -220.954 Base-Backbone interact. energy: 5.198 local terms energy: -427.186973 where: bonds (distance) C4'-P energy: -140.253 bonds (distance) P-C4' energy: -132.322 flat angles C4'-P-C4' energy: -105.234 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: 18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2059.445575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.445575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.445575 (E_RNA) where: Base-Base interactions energy: -1288.967 where: short stacking energy: -658.535 Base-Backbone interact. energy: -4.772 local terms energy: -765.705864 where: bonds (distance) C4'-P energy: -167.695 bonds (distance) P-C4' energy: -160.649 flat angles C4'-P-C4' energy: -160.215 flat angles P-C4'-P energy: -109.098 tors. eta vs tors. theta energy: -168.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2043.019634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.019634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.019634 (E_RNA) where: Base-Base interactions energy: -1331.313 where: short stacking energy: -635.207 Base-Backbone interact. energy: -2.990 local terms energy: -708.716864 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -150.902 flat angles C4'-P-C4' energy: -155.152 flat angles P-C4'-P energy: -113.035 tors. eta vs tors. theta energy: -163.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1750.364535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.364535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.364535 (E_RNA) where: Base-Base interactions energy: -1050.691 where: short stacking energy: -530.020 Base-Backbone interact. energy: -1.029 local terms energy: -698.644332 where: bonds (distance) C4'-P energy: -150.489 bonds (distance) P-C4' energy: -162.074 flat angles C4'-P-C4' energy: -153.499 flat angles P-C4'-P energy: -107.610 tors. eta vs tors. theta energy: -124.972 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: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1673.475812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.475812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.475812 (E_RNA) where: Base-Base interactions energy: -1002.328 where: short stacking energy: -515.877 Base-Backbone interact. energy: -3.992 local terms energy: -667.156035 where: bonds (distance) C4'-P energy: -136.793 bonds (distance) P-C4' energy: -156.746 flat angles C4'-P-C4' energy: -162.065 flat angles P-C4'-P energy: -89.625 tors. eta vs tors. theta energy: -121.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1469.506168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.506168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.506168 (E_RNA) where: Base-Base interactions energy: -910.530 where: short stacking energy: -448.586 Base-Backbone interact. energy: -2.016 local terms energy: -556.960842 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -133.765 flat angles C4'-P-C4' energy: -152.966 flat angles P-C4'-P energy: -83.768 tors. eta vs tors. theta energy: -65.550 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: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1237.468718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.468718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.468718 (E_RNA) where: Base-Base interactions energy: -693.461 where: short stacking energy: -406.339 Base-Backbone interact. energy: 4.884 local terms energy: -548.891615 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -142.472 flat angles P-C4'-P energy: -57.594 tors. eta vs tors. theta energy: -66.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1048.004787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.004787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.004787 (E_RNA) where: Base-Base interactions energy: -544.389 where: short stacking energy: -304.795 Base-Backbone interact. energy: 3.407 local terms energy: -507.022882 where: bonds (distance) C4'-P energy: -128.418 bonds (distance) P-C4' energy: -149.768 flat angles C4'-P-C4' energy: -126.519 flat angles P-C4'-P energy: -74.408 tors. eta vs tors. theta energy: -27.911 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: 20 Temperature: 1.250000 Total energy: -868.153624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.153624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.153624 (E_RNA) where: Base-Base interactions energy: -416.915 where: short stacking energy: -282.051 Base-Backbone interact. energy: -2.817 local terms energy: -448.421030 where: bonds (distance) C4'-P energy: -112.063 bonds (distance) P-C4' energy: -125.746 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -68.372 tors. eta vs tors. theta energy: -26.396 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: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -841.829051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.829051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.829051 (E_RNA) where: Base-Base interactions energy: -409.118 where: short stacking energy: -244.148 Base-Backbone interact. energy: 3.086 local terms energy: -435.797749 where: bonds (distance) C4'-P energy: -128.138 bonds (distance) P-C4' energy: -144.424 flat angles C4'-P-C4' energy: -105.705 flat angles P-C4'-P energy: -47.595 tors. eta vs tors. theta energy: -9.937 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: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -776.097471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.097471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.097471 (E_RNA) where: Base-Base interactions energy: -364.025 where: short stacking energy: -211.174 Base-Backbone interact. energy: 1.303 local terms energy: -413.374903 where: bonds (distance) C4'-P energy: -120.951 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -110.331 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: 15.799 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: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2056.737097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.737097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.737097 (E_RNA) where: Base-Base interactions energy: -1324.594 where: short stacking energy: -643.292 Base-Backbone interact. energy: -0.069 local terms energy: -732.074733 where: bonds (distance) C4'-P energy: -149.797 bonds (distance) P-C4' energy: -157.943 flat angles C4'-P-C4' energy: -163.999 flat angles P-C4'-P energy: -95.793 tors. eta vs tors. theta energy: -164.542 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: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2038.427672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.427672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.427672 (E_RNA) where: Base-Base interactions energy: -1313.154 where: short stacking energy: -645.289 Base-Backbone interact. energy: -3.764 local terms energy: -721.509608 where: bonds (distance) C4'-P energy: -151.862 bonds (distance) P-C4' energy: -127.124 flat angles C4'-P-C4' energy: -171.042 flat angles P-C4'-P energy: -110.704 tors. eta vs tors. theta energy: -160.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1765.630234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.630234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.630234 (E_RNA) where: Base-Base interactions energy: -1103.054 where: short stacking energy: -518.222 Base-Backbone interact. energy: 1.212 local terms energy: -663.788623 where: bonds (distance) C4'-P energy: -158.841 bonds (distance) P-C4' energy: -139.607 flat angles C4'-P-C4' energy: -158.642 flat angles P-C4'-P energy: -78.491 tors. eta vs tors. theta energy: -128.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1699.425268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.425268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.425268 (E_RNA) where: Base-Base interactions energy: -1076.371 where: short stacking energy: -512.342 Base-Backbone interact. energy: -3.833 local terms energy: -619.220960 where: bonds (distance) C4'-P energy: -124.251 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -152.649 flat angles P-C4'-P energy: -100.958 tors. eta vs tors. theta energy: -104.255 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1648.413517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.413517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.413517 (E_RNA) where: Base-Base interactions energy: -1024.770 where: short stacking energy: -496.337 Base-Backbone interact. energy: 0.315 local terms energy: -623.959358 where: bonds (distance) C4'-P energy: -148.062 bonds (distance) P-C4' energy: -143.659 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -79.000 tors. eta vs tors. theta energy: -108.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1311.539710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.539710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.539710 (E_RNA) where: Base-Base interactions energy: -747.464 where: short stacking energy: -424.128 Base-Backbone interact. energy: 3.704 local terms energy: -567.780347 where: bonds (distance) C4'-P energy: -128.658 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -147.938 flat angles P-C4'-P energy: -74.016 tors. eta vs tors. theta energy: -73.470 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1061.728732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.728732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.728732 (E_RNA) where: Base-Base interactions energy: -541.150 where: short stacking energy: -332.967 Base-Backbone interact. energy: -1.882 local terms energy: -518.697400 where: bonds (distance) C4'-P energy: -136.458 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -123.910 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -63.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1006.889728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.889728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.889728 (E_RNA) where: Base-Base interactions energy: -511.720 where: short stacking energy: -283.621 Base-Backbone interact. energy: -1.976 local terms energy: -493.193789 where: bonds (distance) C4'-P energy: -127.990 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -122.852 flat angles P-C4'-P energy: -76.259 tors. eta vs tors. theta energy: -25.971 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: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -744.352788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.352788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.352788 (E_RNA) where: Base-Base interactions energy: -326.597 where: short stacking energy: -219.509 Base-Backbone interact. energy: -1.992 local terms energy: -415.764429 where: bonds (distance) C4'-P energy: -121.457 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -102.900 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -787.916242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.916242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.916242 (E_RNA) where: Base-Base interactions energy: -391.356 where: short stacking energy: -213.708 Base-Backbone interact. energy: -0.873 local terms energy: -395.687502 where: bonds (distance) C4'-P energy: -125.639 bonds (distance) P-C4' energy: -124.773 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: 4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2101.107364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.107364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.107364 (E_RNA) where: Base-Base interactions energy: -1341.466 where: short stacking energy: -667.736 Base-Backbone interact. energy: -2.743 local terms energy: -756.898168 where: bonds (distance) C4'-P energy: -152.911 bonds (distance) P-C4' energy: -162.450 flat angles C4'-P-C4' energy: -164.301 flat angles P-C4'-P energy: -105.920 tors. eta vs tors. theta energy: -171.315 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: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2068.361668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.361668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.361668 (E_RNA) where: Base-Base interactions energy: -1342.292 where: short stacking energy: -658.583 Base-Backbone interact. energy: -2.692 local terms energy: -723.376806 where: bonds (distance) C4'-P energy: -154.300 bonds (distance) P-C4' energy: -152.539 flat angles C4'-P-C4' energy: -166.908 flat angles P-C4'-P energy: -91.534 tors. eta vs tors. theta energy: -158.096 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1882.865891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.865891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.865891 (E_RNA) where: Base-Base interactions energy: -1218.439 where: short stacking energy: -567.944 Base-Backbone interact. energy: -2.501 local terms energy: -661.926190 where: bonds (distance) C4'-P energy: -149.501 bonds (distance) P-C4' energy: -130.171 flat angles C4'-P-C4' energy: -147.993 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -127.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1746.792785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.792785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.792785 (E_RNA) where: Base-Base interactions energy: -1107.165 where: short stacking energy: -516.403 Base-Backbone interact. energy: 0.346 local terms energy: -639.973360 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -139.773 flat angles C4'-P-C4' energy: -151.038 flat angles P-C4'-P energy: -88.054 tors. eta vs tors. theta energy: -111.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1665.267120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.267120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.267120 (E_RNA) where: Base-Base interactions energy: -1059.541 where: short stacking energy: -507.273 Base-Backbone interact. energy: 4.260 local terms energy: -609.985974 where: bonds (distance) C4'-P energy: -133.761 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -141.089 flat angles P-C4'-P energy: -78.980 tors. eta vs tors. theta energy: -118.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1326.373604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.373604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.373604 (E_RNA) where: Base-Base interactions energy: -785.202 where: short stacking energy: -398.392 Base-Backbone interact. energy: 1.180 local terms energy: -542.351518 where: bonds (distance) C4'-P energy: -131.489 bonds (distance) P-C4' energy: -140.242 flat angles C4'-P-C4' energy: -129.243 flat angles P-C4'-P energy: -77.594 tors. eta vs tors. theta energy: -63.783 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1064.665843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.665843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.665843 (E_RNA) where: Base-Base interactions energy: -552.853 where: short stacking energy: -287.312 Base-Backbone interact. energy: -3.569 local terms energy: -508.244305 where: bonds (distance) C4'-P energy: -134.916 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -116.376 flat angles P-C4'-P energy: -82.615 tors. eta vs tors. theta energy: -30.874 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: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -951.229177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.229177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.229177 (E_RNA) where: Base-Base interactions energy: -462.558 where: short stacking energy: -274.758 Base-Backbone interact. energy: -4.384 local terms energy: -484.287225 where: bonds (distance) C4'-P energy: -124.705 bonds (distance) P-C4' energy: -144.086 flat angles C4'-P-C4' energy: -123.249 flat angles P-C4'-P energy: -80.402 tors. eta vs tors. theta energy: -11.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -854.578643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.578643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.578643 (E_RNA) where: Base-Base interactions energy: -415.351 where: short stacking energy: -233.387 Base-Backbone interact. energy: -1.964 local terms energy: -437.263796 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -125.388 flat angles P-C4'-P energy: -66.373 tors. eta vs tors. theta energy: 7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -717.875196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.875196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.875196 (E_RNA) where: Base-Base interactions energy: -299.839 where: short stacking energy: -211.832 Base-Backbone interact. energy: 3.794 local terms energy: -421.830522 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -115.643 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -2.039 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: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2063.708439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.708439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.708439 (E_RNA) where: Base-Base interactions energy: -1362.546 where: short stacking energy: -661.992 Base-Backbone interact. energy: -1.719 local terms energy: -699.443726 where: bonds (distance) C4'-P energy: -144.947 bonds (distance) P-C4' energy: -143.562 flat angles C4'-P-C4' energy: -156.513 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -153.742 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: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2070.092798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.092798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.092798 (E_RNA) where: Base-Base interactions energy: -1310.208 where: short stacking energy: -633.311 Base-Backbone interact. energy: -5.364 local terms energy: -754.521200 where: bonds (distance) C4'-P energy: -138.420 bonds (distance) P-C4' energy: -158.293 flat angles C4'-P-C4' energy: -177.034 flat angles P-C4'-P energy: -117.115 tors. eta vs tors. theta energy: -163.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1882.719430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.719430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.719430 (E_RNA) where: Base-Base interactions energy: -1199.864 where: short stacking energy: -549.179 Base-Backbone interact. energy: 0.620 local terms energy: -683.475422 where: bonds (distance) C4'-P energy: -159.590 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -141.904 flat angles P-C4'-P energy: -105.596 tors. eta vs tors. theta energy: -129.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1824.159375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.159375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.159375 (E_RNA) where: Base-Base interactions energy: -1164.631 where: short stacking energy: -560.686 Base-Backbone interact. energy: -1.574 local terms energy: -657.953960 where: bonds (distance) C4'-P energy: -130.208 bonds (distance) P-C4' energy: -143.114 flat angles C4'-P-C4' energy: -161.842 flat angles P-C4'-P energy: -87.402 tors. eta vs tors. theta energy: -135.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1605.019855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.019855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.019855 (E_RNA) where: Base-Base interactions energy: -1005.979 where: short stacking energy: -504.605 Base-Backbone interact. energy: -1.429 local terms energy: -597.611362 where: bonds (distance) C4'-P energy: -132.238 bonds (distance) P-C4' energy: -107.386 flat angles C4'-P-C4' energy: -147.000 flat angles P-C4'-P energy: -92.885 tors. eta vs tors. theta energy: -118.102 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: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1420.869273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.869273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.869273 (E_RNA) where: Base-Base interactions energy: -818.387 where: short stacking energy: -447.920 Base-Backbone interact. energy: -0.015 local terms energy: -602.466475 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -144.220 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -98.727 tors. eta vs tors. theta energy: -83.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1162.516277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.516277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.516277 (E_RNA) where: Base-Base interactions energy: -634.533 where: short stacking energy: -325.185 Base-Backbone interact. energy: -3.717 local terms energy: -524.265702 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -126.115 flat angles P-C4'-P energy: -78.287 tors. eta vs tors. theta energy: -45.952 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: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -968.244353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.244353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.244353 (E_RNA) where: Base-Base interactions energy: -471.748 where: short stacking energy: -287.433 Base-Backbone interact. energy: 1.094 local terms energy: -497.590554 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -123.452 flat angles P-C4'-P energy: -88.129 tors. eta vs tors. theta energy: -19.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -892.758744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.758744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.758744 (E_RNA) where: Base-Base interactions energy: -456.435 where: short stacking energy: -234.312 Base-Backbone interact. energy: -2.077 local terms energy: -434.247076 where: bonds (distance) C4'-P energy: -135.507 bonds (distance) P-C4' energy: -114.648 flat angles C4'-P-C4' energy: -118.510 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: 4.832 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: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -641.241931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.241931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.241931 (E_RNA) where: Base-Base interactions energy: -245.719 where: short stacking energy: -182.753 Base-Backbone interact. energy: 1.106 local terms energy: -396.628433 where: bonds (distance) C4'-P energy: -124.725 bonds (distance) P-C4' energy: -128.591 flat angles C4'-P-C4' energy: -108.326 flat angles P-C4'-P energy: -47.623 tors. eta vs tors. theta energy: 12.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2123.513774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.513774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.513774 (E_RNA) where: Base-Base interactions energy: -1388.420 where: short stacking energy: -676.241 Base-Backbone interact. energy: -2.680 local terms energy: -732.413998 where: bonds (distance) C4'-P energy: -130.367 bonds (distance) P-C4' energy: -137.578 flat angles C4'-P-C4' energy: -181.342 flat angles P-C4'-P energy: -103.451 tors. eta vs tors. theta energy: -179.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2044.025291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.025291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.025291 (E_RNA) where: Base-Base interactions energy: -1311.375 where: short stacking energy: -643.894 Base-Backbone interact. energy: -4.965 local terms energy: -727.685336 where: bonds (distance) C4'-P energy: -152.932 bonds (distance) P-C4' energy: -156.326 flat angles C4'-P-C4' energy: -171.514 flat angles P-C4'-P energy: -91.661 tors. eta vs tors. theta energy: -155.253 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1947.685372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.685372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.685372 (E_RNA) where: Base-Base interactions energy: -1279.584 where: short stacking energy: -566.734 Base-Backbone interact. energy: -2.515 local terms energy: -665.586138 where: bonds (distance) C4'-P energy: -133.744 bonds (distance) P-C4' energy: -130.779 flat angles C4'-P-C4' energy: -149.925 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -147.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1863.318458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.318458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.318458 (E_RNA) where: Base-Base interactions energy: -1194.222 where: short stacking energy: -542.606 Base-Backbone interact. energy: -1.833 local terms energy: -667.263132 where: bonds (distance) C4'-P energy: -147.076 bonds (distance) P-C4' energy: -151.899 flat angles C4'-P-C4' energy: -135.541 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: -140.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1751.974739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.974739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.974739 (E_RNA) where: Base-Base interactions energy: -1119.980 where: short stacking energy: -540.817 Base-Backbone interact. energy: 0.748 local terms energy: -632.742921 where: bonds (distance) C4'-P energy: -133.496 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -93.836 tors. eta vs tors. theta energy: -120.353 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: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1348.103764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.103764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.103764 (E_RNA) where: Base-Base interactions energy: -787.694 where: short stacking energy: -405.673 Base-Backbone interact. energy: -2.146 local terms energy: -558.263703 where: bonds (distance) C4'-P energy: -123.362 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -139.824 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -81.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1147.624403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.624403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.624403 (E_RNA) where: Base-Base interactions energy: -642.932 where: short stacking energy: -341.460 Base-Backbone interact. energy: 4.734 local terms energy: -509.425718 where: bonds (distance) C4'-P energy: -132.825 bonds (distance) P-C4' energy: -150.385 flat angles C4'-P-C4' energy: -129.453 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -31.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -935.673953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.673953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.673953 (E_RNA) where: Base-Base interactions energy: -463.345 where: short stacking energy: -307.599 Base-Backbone interact. energy: 2.911 local terms energy: -475.240721 where: bonds (distance) C4'-P energy: -140.903 bonds (distance) P-C4' energy: -114.135 flat angles C4'-P-C4' energy: -117.404 flat angles P-C4'-P energy: -77.467 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: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -938.924488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.924488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.924488 (E_RNA) where: Base-Base interactions energy: -484.057 where: short stacking energy: -260.928 Base-Backbone interact. energy: 0.522 local terms energy: -455.389071 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -104.039 flat angles C4'-P-C4' energy: -132.001 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -22.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -658.133904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.133904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.133904 (E_RNA) where: Base-Base interactions energy: -271.402 where: short stacking energy: -177.788 Base-Backbone interact. energy: 3.040 local terms energy: -389.771536 where: bonds (distance) C4'-P energy: -122.718 bonds (distance) P-C4' energy: -139.660 flat angles C4'-P-C4' energy: -87.739 flat angles P-C4'-P energy: -61.654 tors. eta vs tors. theta energy: 22.000 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: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2171.878588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.878588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.878588 (E_RNA) where: Base-Base interactions energy: -1413.901 where: short stacking energy: -704.295 Base-Backbone interact. energy: -1.132 local terms energy: -756.845870 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -136.572 flat angles C4'-P-C4' energy: -172.593 flat angles P-C4'-P energy: -100.543 tors. eta vs tors. theta energy: -182.207 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2031.436497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.436497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.436497 (E_RNA) where: Base-Base interactions energy: -1314.125 where: short stacking energy: -582.396 Base-Backbone interact. energy: 0.410 local terms energy: -717.720925 where: bonds (distance) C4'-P energy: -148.879 bonds (distance) P-C4' energy: -154.904 flat angles C4'-P-C4' energy: -160.962 flat angles P-C4'-P energy: -102.381 tors. eta vs tors. theta energy: -150.596 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1900.281490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.281490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.281490 (E_RNA) where: Base-Base interactions energy: -1181.997 where: short stacking energy: -603.580 Base-Backbone interact. energy: -7.827 local terms energy: -710.457643 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -162.155 flat angles P-C4'-P energy: -84.582 tors. eta vs tors. theta energy: -162.474 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: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1856.798719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.798719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.798719 (E_RNA) where: Base-Base interactions energy: -1225.106 where: short stacking energy: -548.365 Base-Backbone interact. energy: -1.501 local terms energy: -630.191815 where: bonds (distance) C4'-P energy: -132.744 bonds (distance) P-C4' energy: -159.718 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -114.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1740.027875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.027875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.027875 (E_RNA) where: Base-Base interactions energy: -1119.512 where: short stacking energy: -519.212 Base-Backbone interact. energy: 0.424 local terms energy: -620.940222 where: bonds (distance) C4'-P energy: -132.578 bonds (distance) P-C4' energy: -142.980 flat angles C4'-P-C4' energy: -144.841 flat angles P-C4'-P energy: -97.527 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: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1402.116609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.116609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.116609 (E_RNA) where: Base-Base interactions energy: -839.086 where: short stacking energy: -450.831 Base-Backbone interact. energy: -0.835 local terms energy: -562.195894 where: bonds (distance) C4'-P energy: -122.751 bonds (distance) P-C4' energy: -128.596 flat angles C4'-P-C4' energy: -137.259 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -91.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1147.915481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.915481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.915481 (E_RNA) where: Base-Base interactions energy: -660.291 where: short stacking energy: -313.814 Base-Backbone interact. energy: -0.587 local terms energy: -487.037323 where: bonds (distance) C4'-P energy: -131.762 bonds (distance) P-C4' energy: -145.090 flat angles C4'-P-C4' energy: -111.483 flat angles P-C4'-P energy: -60.174 tors. eta vs tors. theta energy: -38.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1061.011313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.011313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.011313 (E_RNA) where: Base-Base interactions energy: -558.422 where: short stacking energy: -318.265 Base-Backbone interact. energy: -0.017 local terms energy: -502.572317 where: bonds (distance) C4'-P energy: -132.756 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -82.075 tors. eta vs tors. theta energy: -42.127 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: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -899.715659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.715659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.715659 (E_RNA) where: Base-Base interactions energy: -436.555 where: short stacking energy: -259.139 Base-Backbone interact. energy: 0.969 local terms energy: -464.129885 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -146.647 flat angles C4'-P-C4' energy: -125.417 flat angles P-C4'-P energy: -57.439 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -689.739428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.739428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.739428 (E_RNA) where: Base-Base interactions energy: -281.222 where: short stacking energy: -181.419 Base-Backbone interact. energy: -2.062 local terms energy: -406.455623 where: bonds (distance) C4'-P energy: -116.424 bonds (distance) P-C4' energy: -131.801 flat angles C4'-P-C4' energy: -110.433 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: 31.388 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: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2179.212333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.212333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.212333 (E_RNA) where: Base-Base interactions energy: -1403.278 where: short stacking energy: -727.956 Base-Backbone interact. energy: 4.668 local terms energy: -780.602278 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -165.469 flat angles C4'-P-C4' energy: -168.154 flat angles P-C4'-P energy: -97.453 tors. eta vs tors. theta energy: -200.925 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: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2090.646963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.646963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.646963 (E_RNA) where: Base-Base interactions energy: -1359.377 where: short stacking energy: -642.141 Base-Backbone interact. energy: 0.319 local terms energy: -731.589611 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -164.790 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -161.365 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: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1913.945472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.945472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.945472 (E_RNA) where: Base-Base interactions energy: -1235.036 where: short stacking energy: -586.474 Base-Backbone interact. energy: -3.604 local terms energy: -675.305023 where: bonds (distance) C4'-P energy: -139.724 bonds (distance) P-C4' energy: -160.330 flat angles C4'-P-C4' energy: -154.429 flat angles P-C4'-P energy: -89.015 tors. eta vs tors. theta energy: -131.807 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: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1848.335252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.335252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.335252 (E_RNA) where: Base-Base interactions energy: -1216.595 where: short stacking energy: -565.388 Base-Backbone interact. energy: -1.897 local terms energy: -629.843691 where: bonds (distance) C4'-P energy: -137.678 bonds (distance) P-C4' energy: -149.782 flat angles C4'-P-C4' energy: -137.760 flat angles P-C4'-P energy: -87.448 tors. eta vs tors. theta energy: -117.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1726.801081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.801081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.801081 (E_RNA) where: Base-Base interactions energy: -1082.865 where: short stacking energy: -491.630 Base-Backbone interact. energy: -0.232 local terms energy: -643.704125 where: bonds (distance) C4'-P energy: -145.986 bonds (distance) P-C4' energy: -152.410 flat angles C4'-P-C4' energy: -147.898 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -108.688 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: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1361.356696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.356696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.356696 (E_RNA) where: Base-Base interactions energy: -787.312 where: short stacking energy: -420.159 Base-Backbone interact. energy: -2.539 local terms energy: -571.505835 where: bonds (distance) C4'-P energy: -130.288 bonds (distance) P-C4' energy: -129.749 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -83.340 tors. eta vs tors. theta energy: -90.338 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: 26 Temperature: 1.200000 Total energy: -1274.455811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.455811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.455811 (E_RNA) where: Base-Base interactions energy: -755.890 where: short stacking energy: -353.809 Base-Backbone interact. energy: -1.735 local terms energy: -516.831030 where: bonds (distance) C4'-P energy: -124.405 bonds (distance) P-C4' energy: -135.013 flat angles C4'-P-C4' energy: -133.428 flat angles P-C4'-P energy: -77.850 tors. eta vs tors. theta energy: -46.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1100.815913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.815913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.815913 (E_RNA) where: Base-Base interactions energy: -621.216 where: short stacking energy: -298.434 Base-Backbone interact. energy: 0.821 local terms energy: -480.421094 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -139.724 flat angles C4'-P-C4' energy: -128.018 flat angles P-C4'-P energy: -80.152 tors. eta vs tors. theta energy: -24.185 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: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -891.406108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.406108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.406108 (E_RNA) where: Base-Base interactions energy: -438.875 where: short stacking energy: -277.570 Base-Backbone interact. energy: 2.025 local terms energy: -454.556087 where: bonds (distance) C4'-P energy: -132.464 bonds (distance) P-C4' energy: -124.152 flat angles C4'-P-C4' energy: -122.751 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -709.403395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.403395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.403395 (E_RNA) where: Base-Base interactions energy: -303.790 where: short stacking energy: -196.690 Base-Backbone interact. energy: 0.059 local terms energy: -405.672974 where: bonds (distance) C4'-P energy: -135.099 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -74.636 flat angles P-C4'-P energy: -74.987 tors. eta vs tors. theta energy: 9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2181.613138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.613138 (E_RNA) where: Base-Base interactions energy: -1391.333 where: short stacking energy: -723.904 Base-Backbone interact. energy: -1.482 local terms energy: -788.798582 where: bonds (distance) C4'-P energy: -158.501 bonds (distance) P-C4' energy: -159.646 flat angles C4'-P-C4' energy: -162.038 flat angles P-C4'-P energy: -116.139 tors. eta vs tors. theta energy: -192.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2092.010596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.010596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.010596 (E_RNA) where: Base-Base interactions energy: -1374.614 where: short stacking energy: -650.286 Base-Backbone interact. energy: 0.445 local terms energy: -717.841190 where: bonds (distance) C4'-P energy: -136.662 bonds (distance) P-C4' energy: -147.565 flat angles C4'-P-C4' energy: -163.310 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -166.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1932.572621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.572621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.572621 (E_RNA) where: Base-Base interactions energy: -1245.346 where: short stacking energy: -570.934 Base-Backbone interact. energy: 1.917 local terms energy: -689.144039 where: bonds (distance) C4'-P energy: -145.233 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -163.926 flat angles P-C4'-P energy: -94.015 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: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1881.366618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.366618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.366618 (E_RNA) where: Base-Base interactions energy: -1247.400 where: short stacking energy: -596.089 Base-Backbone interact. energy: -1.135 local terms energy: -632.832317 where: bonds (distance) C4'-P energy: -117.929 bonds (distance) P-C4' energy: -127.415 flat angles C4'-P-C4' energy: -153.529 flat angles P-C4'-P energy: -100.497 tors. eta vs tors. theta energy: -133.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1705.893544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.893544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.893544 (E_RNA) where: Base-Base interactions energy: -1092.976 where: short stacking energy: -503.023 Base-Backbone interact. energy: -1.856 local terms energy: -611.061668 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -136.522 flat angles P-C4'-P energy: -106.083 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: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1340.014138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.014138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.014138 (E_RNA) where: Base-Base interactions energy: -761.277 where: short stacking energy: -421.843 Base-Backbone interact. energy: -3.881 local terms energy: -574.856505 where: bonds (distance) C4'-P energy: -129.284 bonds (distance) P-C4' energy: -121.413 flat angles C4'-P-C4' energy: -144.248 flat angles P-C4'-P energy: -103.167 tors. eta vs tors. theta energy: -76.744 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: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1274.719753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.719753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.719753 (E_RNA) where: Base-Base interactions energy: -734.202 where: short stacking energy: -401.134 Base-Backbone interact. energy: -0.472 local terms energy: -540.046235 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -130.947 flat angles P-C4'-P energy: -84.551 tors. eta vs tors. theta energy: -58.660 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: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1208.432163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.432163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.432163 (E_RNA) where: Base-Base interactions energy: -723.714 where: short stacking energy: -350.414 Base-Backbone interact. energy: -0.411 local terms energy: -484.307238 where: bonds (distance) C4'-P energy: -107.431 bonds (distance) P-C4' energy: -125.009 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -77.706 tors. eta vs tors. theta energy: -44.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -882.737398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.737398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.737398 (E_RNA) where: Base-Base interactions energy: -473.965 where: short stacking energy: -268.233 Base-Backbone interact. energy: 0.985 local terms energy: -409.756899 where: bonds (distance) C4'-P energy: -126.066 bonds (distance) P-C4' energy: -118.803 flat angles C4'-P-C4' energy: -92.713 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: 2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -714.520981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.520981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.520981 (E_RNA) where: Base-Base interactions energy: -324.345 where: short stacking energy: -201.677 Base-Backbone interact. energy: -2.266 local terms energy: -387.910632 where: bonds (distance) C4'-P energy: -121.467 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -116.831 flat angles P-C4'-P energy: -64.990 tors. eta vs tors. theta energy: 39.260 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2189.261781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.261781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.261781 (E_RNA) where: Base-Base interactions energy: -1406.183 where: short stacking energy: -696.093 Base-Backbone interact. energy: -3.778 local terms energy: -779.300733 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -159.535 flat angles C4'-P-C4' energy: -160.284 flat angles P-C4'-P energy: -112.047 tors. eta vs tors. theta energy: -203.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2134.384815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.384815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.384815 (E_RNA) where: Base-Base interactions energy: -1405.824 where: short stacking energy: -659.680 Base-Backbone interact. energy: -5.693 local terms energy: -722.868040 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -150.614 flat angles C4'-P-C4' energy: -168.363 flat angles P-C4'-P energy: -94.962 tors. eta vs tors. theta energy: -173.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1899.220161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.220161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.220161 (E_RNA) where: Base-Base interactions energy: -1218.520 where: short stacking energy: -597.091 Base-Backbone interact. energy: -2.986 local terms energy: -677.714571 where: bonds (distance) C4'-P energy: -147.765 bonds (distance) P-C4' energy: -140.971 flat angles C4'-P-C4' energy: -157.690 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -143.806 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1879.796903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.796903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.796903 (E_RNA) where: Base-Base interactions energy: -1257.014 where: short stacking energy: -562.053 Base-Backbone interact. energy: -2.484 local terms energy: -620.299709 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -137.576 flat angles C4'-P-C4' energy: -158.369 flat angles P-C4'-P energy: -86.946 tors. eta vs tors. theta energy: -116.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1768.307158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.307158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.307158 (E_RNA) where: Base-Base interactions energy: -1117.109 where: short stacking energy: -508.016 Base-Backbone interact. energy: 4.225 local terms energy: -655.422577 where: bonds (distance) C4'-P energy: -133.947 bonds (distance) P-C4' energy: -159.869 flat angles C4'-P-C4' energy: -162.360 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -100.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1286.641952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.641952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.641952 (E_RNA) where: Base-Base interactions energy: -753.284 where: short stacking energy: -366.309 Base-Backbone interact. energy: -1.052 local terms energy: -532.305950 where: bonds (distance) C4'-P energy: -130.036 bonds (distance) P-C4' energy: -125.615 flat angles C4'-P-C4' energy: -131.368 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -44.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1297.885603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.885603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.885603 (E_RNA) where: Base-Base interactions energy: -760.292 where: short stacking energy: -384.418 Base-Backbone interact. energy: 3.036 local terms energy: -540.629829 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -139.523 flat angles C4'-P-C4' energy: -141.073 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -68.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1069.218538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.218538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.218538 (E_RNA) where: Base-Base interactions energy: -582.795 where: short stacking energy: -311.737 Base-Backbone interact. energy: 6.781 local terms energy: -493.204726 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -140.907 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -34.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -755.774458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.774458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.774458 (E_RNA) where: Base-Base interactions energy: -345.540 where: short stacking energy: -214.618 Base-Backbone interact. energy: 3.584 local terms energy: -413.818718 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: 5.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -864.649304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.649304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.649304 (E_RNA) where: Base-Base interactions energy: -424.147 where: short stacking energy: -215.444 Base-Backbone interact. energy: -1.233 local terms energy: -439.269439 where: bonds (distance) C4'-P energy: -108.942 bonds (distance) P-C4' energy: -132.675 flat angles C4'-P-C4' energy: -121.633 flat angles P-C4'-P energy: -52.354 tors. eta vs tors. theta energy: -23.666 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2215.411683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.411683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.411683 (E_RNA) where: Base-Base interactions energy: -1413.570 where: short stacking energy: -707.511 Base-Backbone interact. energy: -3.597 local terms energy: -798.244174 where: bonds (distance) C4'-P energy: -166.538 bonds (distance) P-C4' energy: -155.415 flat angles C4'-P-C4' energy: -183.924 flat angles P-C4'-P energy: -95.386 tors. eta vs tors. theta energy: -196.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2156.845483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.845483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.845483 (E_RNA) where: Base-Base interactions energy: -1419.259 where: short stacking energy: -640.848 Base-Backbone interact. energy: -4.695 local terms energy: -732.891570 where: bonds (distance) C4'-P energy: -143.022 bonds (distance) P-C4' energy: -157.429 flat angles C4'-P-C4' energy: -174.637 flat angles P-C4'-P energy: -101.279 tors. eta vs tors. theta energy: -156.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1914.322682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.322682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.322682 (E_RNA) where: Base-Base interactions energy: -1223.121 where: short stacking energy: -621.012 Base-Backbone interact. energy: 0.386 local terms energy: -691.587627 where: bonds (distance) C4'-P energy: -130.206 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -102.645 tors. eta vs tors. theta energy: -160.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1961.905475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.905475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.905475 (E_RNA) where: Base-Base interactions energy: -1268.473 where: short stacking energy: -586.105 Base-Backbone interact. energy: -1.712 local terms energy: -691.720220 where: bonds (distance) C4'-P energy: -140.930 bonds (distance) P-C4' energy: -149.931 flat angles C4'-P-C4' energy: -168.520 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -140.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1693.406059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.406059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.406059 (E_RNA) where: Base-Base interactions energy: -1097.437 where: short stacking energy: -480.319 Base-Backbone interact. energy: -2.767 local terms energy: -593.202969 where: bonds (distance) C4'-P energy: -120.607 bonds (distance) P-C4' energy: -142.889 flat angles C4'-P-C4' energy: -144.476 flat angles P-C4'-P energy: -93.960 tors. eta vs tors. theta energy: -91.271 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1363.810426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.810426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.810426 (E_RNA) where: Base-Base interactions energy: -752.627 where: short stacking energy: -437.749 Base-Backbone interact. energy: -0.229 local terms energy: -610.954347 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -149.202 flat angles C4'-P-C4' energy: -141.881 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -104.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1219.168164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.168164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.168164 (E_RNA) where: Base-Base interactions energy: -679.583 where: short stacking energy: -358.437 Base-Backbone interact. energy: 2.553 local terms energy: -542.137819 where: bonds (distance) C4'-P energy: -115.355 bonds (distance) P-C4' energy: -151.912 flat angles C4'-P-C4' energy: -132.191 flat angles P-C4'-P energy: -95.399 tors. eta vs tors. theta energy: -47.281 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: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1126.821917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.821917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.821917 (E_RNA) where: Base-Base interactions energy: -617.650 where: short stacking energy: -303.336 Base-Backbone interact. energy: -1.401 local terms energy: -507.771253 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -121.527 flat angles C4'-P-C4' energy: -137.046 flat angles P-C4'-P energy: -82.307 tors. eta vs tors. theta energy: -33.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -737.488298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.488298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.488298 (E_RNA) where: Base-Base interactions energy: -353.914 where: short stacking energy: -216.724 Base-Backbone interact. energy: -0.218 local terms energy: -383.355939 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -53.436 tors. eta vs tors. theta energy: 23.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -826.741430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.741430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.741430 (E_RNA) where: Base-Base interactions energy: -413.273 where: short stacking energy: -221.963 Base-Backbone interact. energy: 0.512 local terms energy: -413.980656 where: bonds (distance) C4'-P energy: -114.077 bonds (distance) P-C4' energy: -124.458 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -4.709 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: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2238.822043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.822043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.822043 (E_RNA) where: Base-Base interactions energy: -1485.680 where: short stacking energy: -653.562 Base-Backbone interact. energy: -1.972 local terms energy: -751.170518 where: bonds (distance) C4'-P energy: -157.140 bonds (distance) P-C4' energy: -161.650 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -104.401 tors. eta vs tors. theta energy: -173.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2067.954194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.954194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.954194 (E_RNA) where: Base-Base interactions energy: -1351.899 where: short stacking energy: -663.534 Base-Backbone interact. energy: -3.923 local terms energy: -712.132043 where: bonds (distance) C4'-P energy: -148.870 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -152.218 flat angles P-C4'-P energy: -78.277 tors. eta vs tors. theta energy: -179.426 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: 3, replica: 9 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2020.881055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.881055 (E_RNA) where: Base-Base interactions energy: -1319.322 where: short stacking energy: -593.104 Base-Backbone interact. energy: -4.370 local terms energy: -697.189444 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -141.981 flat angles C4'-P-C4' energy: -143.761 flat angles P-C4'-P energy: -105.793 tors. eta vs tors. theta energy: -159.377 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: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1836.927985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.927985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.927985 (E_RNA) where: Base-Base interactions energy: -1169.952 where: short stacking energy: -576.919 Base-Backbone interact. energy: -1.090 local terms energy: -665.886353 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -145.686 flat angles C4'-P-C4' energy: -153.892 flat angles P-C4'-P energy: -101.231 tors. eta vs tors. theta energy: -132.609 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: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1816.212949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.212949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.212949 (E_RNA) where: Base-Base interactions energy: -1202.666 where: short stacking energy: -528.697 Base-Backbone interact. energy: -3.941 local terms energy: -609.605826 where: bonds (distance) C4'-P energy: -133.478 bonds (distance) P-C4' energy: -118.364 flat angles C4'-P-C4' energy: -144.734 flat angles P-C4'-P energy: -93.764 tors. eta vs tors. theta energy: -119.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1346.664306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.664306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.664306 (E_RNA) where: Base-Base interactions energy: -786.935 where: short stacking energy: -389.821 Base-Backbone interact. energy: -1.646 local terms energy: -558.083252 where: bonds (distance) C4'-P energy: -122.630 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -144.471 flat angles P-C4'-P energy: -84.175 tors. eta vs tors. theta energy: -65.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1255.796607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.796607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.796607 (E_RNA) where: Base-Base interactions energy: -757.043 where: short stacking energy: -392.697 Base-Backbone interact. energy: 1.826 local terms energy: -500.579219 where: bonds (distance) C4'-P energy: -127.649 bonds (distance) P-C4' energy: -134.201 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: -61.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1158.106490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.106490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.106490 (E_RNA) where: Base-Base interactions energy: -707.457 where: short stacking energy: -355.001 Base-Backbone interact. energy: 3.708 local terms energy: -454.356868 where: bonds (distance) C4'-P energy: -105.156 bonds (distance) P-C4' energy: -121.190 flat angles C4'-P-C4' energy: -106.005 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -59.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -828.425106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.425106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.425106 (E_RNA) where: Base-Base interactions energy: -392.563 where: short stacking energy: -252.824 Base-Backbone interact. energy: 9.372 local terms energy: -445.233902 where: bonds (distance) C4'-P energy: -116.152 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -86.721 tors. eta vs tors. theta energy: -17.415 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: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -648.029398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.029398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.029398 (E_RNA) where: Base-Base interactions energy: -252.300 where: short stacking energy: -188.341 Base-Backbone interact. energy: -0.255 local terms energy: -395.474832 where: bonds (distance) C4'-P energy: -108.693 bonds (distance) P-C4' energy: -138.567 flat angles C4'-P-C4' energy: -97.228 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: 17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2225.286530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.286530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.286530 (E_RNA) where: Base-Base interactions energy: -1451.601 where: short stacking energy: -655.268 Base-Backbone interact. energy: -1.136 local terms energy: -772.549838 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -170.649 flat angles C4'-P-C4' energy: -164.633 flat angles P-C4'-P energy: -115.385 tors. eta vs tors. theta energy: -170.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2148.615861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.615861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.615861 (E_RNA) where: Base-Base interactions energy: -1366.745 where: short stacking energy: -666.878 Base-Backbone interact. energy: -0.234 local terms energy: -781.636766 where: bonds (distance) C4'-P energy: -167.205 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -178.709 flat angles P-C4'-P energy: -106.911 tors. eta vs tors. theta energy: -179.502 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: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2057.676777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.676777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.676777 (E_RNA) where: Base-Base interactions energy: -1340.393 where: short stacking energy: -587.542 Base-Backbone interact. energy: -3.028 local terms energy: -714.255516 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -158.580 flat angles C4'-P-C4' energy: -163.621 flat angles P-C4'-P energy: -85.771 tors. eta vs tors. theta energy: -159.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1950.114364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.114364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.114364 (E_RNA) where: Base-Base interactions energy: -1276.473 where: short stacking energy: -583.052 Base-Backbone interact. energy: -3.556 local terms energy: -670.085564 where: bonds (distance) C4'-P energy: -136.426 bonds (distance) P-C4' energy: -143.524 flat angles C4'-P-C4' energy: -156.625 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -151.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1753.765979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.765979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.765979 (E_RNA) where: Base-Base interactions energy: -1145.390 where: short stacking energy: -568.255 Base-Backbone interact. energy: -2.356 local terms energy: -606.019418 where: bonds (distance) C4'-P energy: -122.308 bonds (distance) P-C4' energy: -126.757 flat angles C4'-P-C4' energy: -155.033 flat angles P-C4'-P energy: -70.858 tors. eta vs tors. theta energy: -131.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1431.975895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.975895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.975895 (E_RNA) where: Base-Base interactions energy: -885.853 where: short stacking energy: -417.384 Base-Backbone interact. energy: 0.677 local terms energy: -546.799571 where: bonds (distance) C4'-P energy: -137.283 bonds (distance) P-C4' energy: -146.248 flat angles C4'-P-C4' energy: -136.374 flat angles P-C4'-P energy: -61.745 tors. eta vs tors. theta energy: -65.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1270.285144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.285144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.285144 (E_RNA) where: Base-Base interactions energy: -750.737 where: short stacking energy: -383.756 Base-Backbone interact. energy: -0.592 local terms energy: -518.955563 where: bonds (distance) C4'-P energy: -117.448 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -121.267 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -51.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1132.435564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.435564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.435564 (E_RNA) where: Base-Base interactions energy: -606.843 where: short stacking energy: -343.548 Base-Backbone interact. energy: -0.245 local terms energy: -525.348042 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -129.450 flat angles C4'-P-C4' energy: -130.688 flat angles P-C4'-P energy: -67.373 tors. eta vs tors. theta energy: -62.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -814.705416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.705416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.705416 (E_RNA) where: Base-Base interactions energy: -416.438 where: short stacking energy: -206.792 Base-Backbone interact. energy: -0.082 local terms energy: -398.185660 where: bonds (distance) C4'-P energy: -102.203 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -123.502 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: 1.856 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: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -684.285894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.285894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.285894 (E_RNA) where: Base-Base interactions energy: -300.052 where: short stacking energy: -193.422 Base-Backbone interact. energy: 9.077 local terms energy: -393.311311 where: bonds (distance) C4'-P energy: -123.229 bonds (distance) P-C4' energy: -129.441 flat angles C4'-P-C4' energy: -106.917 flat angles P-C4'-P energy: -55.428 tors. eta vs tors. theta energy: 21.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2253.455273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.455273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.455273 (E_RNA) where: Base-Base interactions energy: -1498.521 where: short stacking energy: -653.754 Base-Backbone interact. energy: -5.920 local terms energy: -749.014882 where: bonds (distance) C4'-P energy: -152.147 bonds (distance) P-C4' energy: -166.496 flat angles C4'-P-C4' energy: -152.205 flat angles P-C4'-P energy: -106.917 tors. eta vs tors. theta energy: -171.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2151.504548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.504548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.504548 (E_RNA) where: Base-Base interactions energy: -1407.966 where: short stacking energy: -682.104 Base-Backbone interact. energy: 0.270 local terms energy: -743.808452 where: bonds (distance) C4'-P energy: -148.397 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -160.940 flat angles P-C4'-P energy: -108.753 tors. eta vs tors. theta energy: -172.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2067.060983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.060983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.060983 (E_RNA) where: Base-Base interactions energy: -1357.949 where: short stacking energy: -640.565 Base-Backbone interact. energy: -2.990 local terms energy: -706.121842 where: bonds (distance) C4'-P energy: -140.285 bonds (distance) P-C4' energy: -148.812 flat angles C4'-P-C4' energy: -161.314 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -161.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1976.020666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.020666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.020666 (E_RNA) where: Base-Base interactions energy: -1304.641 where: short stacking energy: -609.715 Base-Backbone interact. energy: -3.472 local terms energy: -667.907823 where: bonds (distance) C4'-P energy: -137.017 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -141.920 flat angles P-C4'-P energy: -100.547 tors. eta vs tors. theta energy: -145.410 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: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1719.528289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.528289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.528289 (E_RNA) where: Base-Base interactions energy: -1096.861 where: short stacking energy: -500.621 Base-Backbone interact. energy: 1.101 local terms energy: -623.767920 where: bonds (distance) C4'-P energy: -145.473 bonds (distance) P-C4' energy: -126.548 flat angles C4'-P-C4' energy: -144.958 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -118.088 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1480.293751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.293751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.293751 (E_RNA) where: Base-Base interactions energy: -904.251 where: short stacking energy: -441.911 Base-Backbone interact. energy: 0.674 local terms energy: -576.716568 where: bonds (distance) C4'-P energy: -140.618 bonds (distance) P-C4' energy: -139.546 flat angles C4'-P-C4' energy: -135.780 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -90.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1303.230161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.230161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.230161 (E_RNA) where: Base-Base interactions energy: -759.938 where: short stacking energy: -375.083 Base-Backbone interact. energy: 1.893 local terms energy: -545.185231 where: bonds (distance) C4'-P energy: -139.376 bonds (distance) P-C4' energy: -128.909 flat angles C4'-P-C4' energy: -122.587 flat angles P-C4'-P energy: -81.498 tors. eta vs tors. theta energy: -72.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1160.195850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.195850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.195850 (E_RNA) where: Base-Base interactions energy: -646.452 where: short stacking energy: -343.940 Base-Backbone interact. energy: 4.722 local terms energy: -518.465440 where: bonds (distance) C4'-P energy: -130.860 bonds (distance) P-C4' energy: -130.353 flat angles C4'-P-C4' energy: -132.910 flat angles P-C4'-P energy: -84.630 tors. eta vs tors. theta energy: -39.713 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: 1 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -821.945223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.945223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.945223 (E_RNA) where: Base-Base interactions energy: -378.782 where: short stacking energy: -272.783 Base-Backbone interact. energy: 3.838 local terms energy: -447.001001 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -133.667 flat angles C4'-P-C4' energy: -112.494 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -26.298 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: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -776.555794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.555794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.555794 (E_RNA) where: Base-Base interactions energy: -352.399 where: short stacking energy: -232.954 Base-Backbone interact. energy: 2.087 local terms energy: -426.244031 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -113.982 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -83.917 tors. eta vs tors. theta energy: 9.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2297.772978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.772978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.772978 (E_RNA) where: Base-Base interactions energy: -1534.263 where: short stacking energy: -665.192 Base-Backbone interact. energy: -6.566 local terms energy: -756.944239 where: bonds (distance) C4'-P energy: -150.608 bonds (distance) P-C4' energy: -154.833 flat angles C4'-P-C4' energy: -171.381 flat angles P-C4'-P energy: -109.023 tors. eta vs tors. theta energy: -171.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2091.368917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.368917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.368917 (E_RNA) where: Base-Base interactions energy: -1347.955 where: short stacking energy: -657.270 Base-Backbone interact. energy: 1.041 local terms energy: -744.455064 where: bonds (distance) C4'-P energy: -150.540 bonds (distance) P-C4' energy: -156.140 flat angles C4'-P-C4' energy: -164.140 flat angles P-C4'-P energy: -103.624 tors. eta vs tors. theta energy: -170.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2160.115814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.115814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.115814 (E_RNA) where: Base-Base interactions energy: -1427.182 where: short stacking energy: -621.108 Base-Backbone interact. energy: -1.022 local terms energy: -731.911807 where: bonds (distance) C4'-P energy: -147.208 bonds (distance) P-C4' energy: -148.391 flat angles C4'-P-C4' energy: -154.844 flat angles P-C4'-P energy: -118.981 tors. eta vs tors. theta energy: -162.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1953.883285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.883285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.883285 (E_RNA) where: Base-Base interactions energy: -1288.978 where: short stacking energy: -573.463 Base-Backbone interact. energy: -2.658 local terms energy: -662.246570 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -151.318 flat angles C4'-P-C4' energy: -163.182 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -129.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1711.097519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.097519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.097519 (E_RNA) where: Base-Base interactions energy: -1080.805 where: short stacking energy: -505.904 Base-Backbone interact. energy: -0.478 local terms energy: -629.814108 where: bonds (distance) C4'-P energy: -127.979 bonds (distance) P-C4' energy: -135.249 flat angles C4'-P-C4' energy: -154.990 flat angles P-C4'-P energy: -91.534 tors. eta vs tors. theta energy: -120.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1539.101358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.101358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.101358 (E_RNA) where: Base-Base interactions energy: -945.330 where: short stacking energy: -443.565 Base-Backbone interact. energy: 3.236 local terms energy: -597.007268 where: bonds (distance) C4'-P energy: -137.603 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -70.338 tors. eta vs tors. theta energy: -98.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1329.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.820128 (E_RNA) where: Base-Base interactions energy: -786.895 where: short stacking energy: -428.989 Base-Backbone interact. energy: 1.950 local terms energy: -544.874376 where: bonds (distance) C4'-P energy: -114.672 bonds (distance) P-C4' energy: -140.054 flat angles C4'-P-C4' energy: -126.240 flat angles P-C4'-P energy: -76.043 tors. eta vs tors. theta energy: -87.865 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: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1081.997851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.997851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.997851 (E_RNA) where: Base-Base interactions energy: -612.431 where: short stacking energy: -331.029 Base-Backbone interact. energy: 3.796 local terms energy: -473.363157 where: bonds (distance) C4'-P energy: -117.430 bonds (distance) P-C4' energy: -132.701 flat angles C4'-P-C4' energy: -125.090 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: -26.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -808.848207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.848207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.848207 (E_RNA) where: Base-Base interactions energy: -369.451 where: short stacking energy: -245.027 Base-Backbone interact. energy: 5.139 local terms energy: -444.536615 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -134.234 flat angles C4'-P-C4' energy: -138.194 flat angles P-C4'-P energy: -65.093 tors. eta vs tors. theta energy: 4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -733.467093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.467093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.467093 (E_RNA) where: Base-Base interactions energy: -331.949 where: short stacking energy: -198.040 Base-Backbone interact. energy: 0.700 local terms energy: -402.218516 where: bonds (distance) C4'-P energy: -122.028 bonds (distance) P-C4' energy: -123.886 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -56.644 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2289.475633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.475633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.475633 (E_RNA) where: Base-Base interactions energy: -1513.496 where: short stacking energy: -658.110 Base-Backbone interact. energy: -2.190 local terms energy: -773.789841 where: bonds (distance) C4'-P energy: -157.340 bonds (distance) P-C4' energy: -156.316 flat angles C4'-P-C4' energy: -176.051 flat angles P-C4'-P energy: -111.808 tors. eta vs tors. theta energy: -172.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2054.977544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.977544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.977544 (E_RNA) where: Base-Base interactions energy: -1321.231 where: short stacking energy: -637.808 Base-Backbone interact. energy: 0.078 local terms energy: -733.824203 where: bonds (distance) C4'-P energy: -148.006 bonds (distance) P-C4' energy: -155.573 flat angles C4'-P-C4' energy: -167.855 flat angles P-C4'-P energy: -103.076 tors. eta vs tors. theta energy: -159.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2190.914888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.914888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.914888 (E_RNA) where: Base-Base interactions energy: -1459.944 where: short stacking energy: -664.333 Base-Backbone interact. energy: 4.215 local terms energy: -735.186083 where: bonds (distance) C4'-P energy: -137.320 bonds (distance) P-C4' energy: -133.603 flat angles C4'-P-C4' energy: -167.904 flat angles P-C4'-P energy: -118.065 tors. eta vs tors. theta energy: -178.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1915.904442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.904442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.904442 (E_RNA) where: Base-Base interactions energy: -1242.216 where: short stacking energy: -554.285 Base-Backbone interact. energy: -3.244 local terms energy: -670.444922 where: bonds (distance) C4'-P energy: -131.947 bonds (distance) P-C4' energy: -153.081 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -97.294 tors. eta vs tors. theta energy: -130.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1704.167006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.167006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.167006 (E_RNA) where: Base-Base interactions energy: -1056.045 where: short stacking energy: -494.873 Base-Backbone interact. energy: 0.273 local terms energy: -648.394282 where: bonds (distance) C4'-P energy: -146.738 bonds (distance) P-C4' energy: -138.312 flat angles C4'-P-C4' energy: -147.605 flat angles P-C4'-P energy: -102.919 tors. eta vs tors. theta energy: -112.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1488.267080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.267080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.267080 (E_RNA) where: Base-Base interactions energy: -882.811 where: short stacking energy: -463.029 Base-Backbone interact. energy: 0.339 local terms energy: -605.795172 where: bonds (distance) C4'-P energy: -131.522 bonds (distance) P-C4' energy: -135.651 flat angles C4'-P-C4' energy: -153.227 flat angles P-C4'-P energy: -83.345 tors. eta vs tors. theta energy: -102.050 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: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1317.155340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.155340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.155340 (E_RNA) where: Base-Base interactions energy: -797.149 where: short stacking energy: -380.414 Base-Backbone interact. energy: -0.802 local terms energy: -519.204255 where: bonds (distance) C4'-P energy: -140.159 bonds (distance) P-C4' energy: -129.745 flat angles C4'-P-C4' energy: -111.694 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -63.129 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: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1099.437316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.437316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.437316 (E_RNA) where: Base-Base interactions energy: -630.787 where: short stacking energy: -311.516 Base-Backbone interact. energy: 1.907 local terms energy: -470.556912 where: bonds (distance) C4'-P energy: -100.606 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -118.627 flat angles P-C4'-P energy: -82.508 tors. eta vs tors. theta energy: -33.690 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: 34 Temperature: 1.300000 Total energy: -818.013280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.013280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.013280 (E_RNA) where: Base-Base interactions energy: -377.220 where: short stacking energy: -255.350 Base-Backbone interact. energy: 2.027 local terms energy: -442.820257 where: bonds (distance) C4'-P energy: -117.427 bonds (distance) P-C4' energy: -137.051 flat angles C4'-P-C4' energy: -104.662 flat angles P-C4'-P energy: -74.047 tors. eta vs tors. theta energy: -9.634 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: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -721.658181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.658181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.658181 (E_RNA) where: Base-Base interactions energy: -312.473 where: short stacking energy: -194.786 Base-Backbone interact. energy: -3.056 local terms energy: -406.129518 where: bonds (distance) C4'-P energy: -114.112 bonds (distance) P-C4' energy: -149.126 flat angles C4'-P-C4' energy: -103.917 flat angles P-C4'-P energy: -50.434 tors. eta vs tors. theta energy: 11.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2276.529331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.529331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.529331 (E_RNA) where: Base-Base interactions energy: -1508.292 where: short stacking energy: -648.588 Base-Backbone interact. energy: -4.506 local terms energy: -763.732231 where: bonds (distance) C4'-P energy: -153.340 bonds (distance) P-C4' energy: -156.310 flat angles C4'-P-C4' energy: -162.530 flat angles P-C4'-P energy: -115.276 tors. eta vs tors. theta energy: -176.276 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: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2236.172210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.172210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.172210 (E_RNA) where: Base-Base interactions energy: -1501.503 where: short stacking energy: -679.707 Base-Backbone interact. energy: -2.067 local terms energy: -732.602072 where: bonds (distance) C4'-P energy: -145.705 bonds (distance) P-C4' energy: -144.204 flat angles C4'-P-C4' energy: -169.963 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -181.675 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: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1978.248508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.248508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.248508 (E_RNA) where: Base-Base interactions energy: -1287.352 where: short stacking energy: -612.490 Base-Backbone interact. energy: -2.730 local terms energy: -688.166584 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -139.988 flat angles C4'-P-C4' energy: -154.143 flat angles P-C4'-P energy: -100.429 tors. eta vs tors. theta energy: -147.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1914.668388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.668388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.668388 (E_RNA) where: Base-Base interactions energy: -1226.641 where: short stacking energy: -555.528 Base-Backbone interact. energy: -1.000 local terms energy: -687.026439 where: bonds (distance) C4'-P energy: -161.887 bonds (distance) P-C4' energy: -160.258 flat angles C4'-P-C4' energy: -148.637 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -131.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1755.630779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.630779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.630779 (E_RNA) where: Base-Base interactions energy: -1088.522 where: short stacking energy: -509.989 Base-Backbone interact. energy: 0.641 local terms energy: -667.749621 where: bonds (distance) C4'-P energy: -145.019 bonds (distance) P-C4' energy: -149.241 flat angles C4'-P-C4' energy: -147.268 flat angles P-C4'-P energy: -115.325 tors. eta vs tors. theta energy: -110.896 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: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1529.456028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.456028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.456028 (E_RNA) where: Base-Base interactions energy: -916.120 where: short stacking energy: -477.694 Base-Backbone interact. energy: -0.259 local terms energy: -613.076993 where: bonds (distance) C4'-P energy: -141.306 bonds (distance) P-C4' energy: -121.852 flat angles C4'-P-C4' energy: -144.214 flat angles P-C4'-P energy: -87.246 tors. eta vs tors. theta energy: -118.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1360.486548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.486548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.486548 (E_RNA) where: Base-Base interactions energy: -794.018 where: short stacking energy: -420.660 Base-Backbone interact. energy: -5.253 local terms energy: -561.215476 where: bonds (distance) C4'-P energy: -129.401 bonds (distance) P-C4' energy: -135.173 flat angles C4'-P-C4' energy: -131.249 flat angles P-C4'-P energy: -79.421 tors. eta vs tors. theta energy: -85.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1115.624250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.624250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.624250 (E_RNA) where: Base-Base interactions energy: -617.144 where: short stacking energy: -318.051 Base-Backbone interact. energy: 1.718 local terms energy: -500.197789 where: bonds (distance) C4'-P energy: -110.723 bonds (distance) P-C4' energy: -131.044 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -48.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -699.416055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.416055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.416055 (E_RNA) where: Base-Base interactions energy: -289.200 where: short stacking energy: -209.552 Base-Backbone interact. energy: 1.184 local terms energy: -411.400235 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -134.303 flat angles C4'-P-C4' energy: -99.824 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: 10.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -732.247318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.247318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.247318 (E_RNA) where: Base-Base interactions energy: -335.179 where: short stacking energy: -213.648 Base-Backbone interact. energy: -3.478 local terms energy: -393.590305 where: bonds (distance) C4'-P energy: -114.436 bonds (distance) P-C4' energy: -128.645 flat angles C4'-P-C4' energy: -102.957 flat angles P-C4'-P energy: -45.534 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2333.767020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.767020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.767020 (E_RNA) where: Base-Base interactions energy: -1581.358 where: short stacking energy: -697.813 Base-Backbone interact. energy: -0.122 local terms energy: -752.286786 where: bonds (distance) C4'-P energy: -147.738 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -168.923 flat angles P-C4'-P energy: -97.010 tors. eta vs tors. theta energy: -194.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2261.253885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.253885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.253885 (E_RNA) where: Base-Base interactions energy: -1533.454 where: short stacking energy: -680.124 Base-Backbone interact. energy: -4.134 local terms energy: -723.666469 where: bonds (distance) C4'-P energy: -142.832 bonds (distance) P-C4' energy: -145.401 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -105.314 tors. eta vs tors. theta energy: -175.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1978.078684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.078684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.078684 (E_RNA) where: Base-Base interactions energy: -1298.073 where: short stacking energy: -656.580 Base-Backbone interact. energy: -0.547 local terms energy: -679.458220 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -145.395 flat angles C4'-P-C4' energy: -165.806 flat angles P-C4'-P energy: -101.658 tors. eta vs tors. theta energy: -164.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1874.954625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.954625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.954625 (E_RNA) where: Base-Base interactions energy: -1230.441 where: short stacking energy: -566.137 Base-Backbone interact. energy: -4.303 local terms energy: -640.210788 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -149.571 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -120.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1776.681046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.681046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.681046 (E_RNA) where: Base-Base interactions energy: -1171.773 where: short stacking energy: -583.699 Base-Backbone interact. energy: -1.534 local terms energy: -603.374073 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -129.237 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -102.031 tors. eta vs tors. theta energy: -132.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1578.325256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.325256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.325256 (E_RNA) where: Base-Base interactions energy: -968.326 where: short stacking energy: -476.836 Base-Backbone interact. energy: -1.281 local terms energy: -608.717817 where: bonds (distance) C4'-P energy: -133.701 bonds (distance) P-C4' energy: -132.065 flat angles C4'-P-C4' energy: -136.250 flat angles P-C4'-P energy: -101.490 tors. eta vs tors. theta energy: -105.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1282.004572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.004572 (E_RNA) where: Base-Base interactions energy: -746.779 where: short stacking energy: -367.014 Base-Backbone interact. energy: -0.789 local terms energy: -534.436683 where: bonds (distance) C4'-P energy: -127.165 bonds (distance) P-C4' energy: -123.443 flat angles C4'-P-C4' energy: -131.294 flat angles P-C4'-P energy: -87.139 tors. eta vs tors. theta energy: -65.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1112.213841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.213841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.213841 (E_RNA) where: Base-Base interactions energy: -623.296 where: short stacking energy: -344.382 Base-Backbone interact. energy: -1.996 local terms energy: -486.921749 where: bonds (distance) C4'-P energy: -129.812 bonds (distance) P-C4' energy: -128.411 flat angles C4'-P-C4' energy: -129.168 flat angles P-C4'-P energy: -53.900 tors. eta vs tors. theta energy: -45.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -796.491560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.491560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.491560 (E_RNA) where: Base-Base interactions energy: -360.689 where: short stacking energy: -221.620 Base-Backbone interact. energy: 2.382 local terms energy: -438.184518 where: bonds (distance) C4'-P energy: -117.823 bonds (distance) P-C4' energy: -131.310 flat angles C4'-P-C4' energy: -105.513 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -623.357512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.357512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.357512 (E_RNA) where: Base-Base interactions energy: -275.606 where: short stacking energy: -202.136 Base-Backbone interact. energy: 1.072 local terms energy: -348.823466 where: bonds (distance) C4'-P energy: -103.408 bonds (distance) P-C4' energy: -125.462 flat angles C4'-P-C4' energy: -92.981 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: 15.390 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: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2328.913070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.913070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.913070 (E_RNA) where: Base-Base interactions energy: -1570.827 where: short stacking energy: -676.313 Base-Backbone interact. energy: -6.457 local terms energy: -751.629186 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -160.064 flat angles C4'-P-C4' energy: -157.264 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -183.207 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: 9 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2277.773759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.773759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.773759 (E_RNA) where: Base-Base interactions energy: -1529.452 where: short stacking energy: -675.690 Base-Backbone interact. energy: -2.327 local terms energy: -745.995575 where: bonds (distance) C4'-P energy: -147.062 bonds (distance) P-C4' energy: -141.528 flat angles C4'-P-C4' energy: -167.405 flat angles P-C4'-P energy: -119.094 tors. eta vs tors. theta energy: -170.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1925.847666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.847666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.847666 (E_RNA) where: Base-Base interactions energy: -1223.094 where: short stacking energy: -599.806 Base-Backbone interact. energy: -1.673 local terms energy: -701.080186 where: bonds (distance) C4'-P energy: -145.921 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -158.645 flat angles P-C4'-P energy: -106.126 tors. eta vs tors. theta energy: -145.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1926.255012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.255012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.255012 (E_RNA) where: Base-Base interactions energy: -1276.712 where: short stacking energy: -591.580 Base-Backbone interact. energy: -0.587 local terms energy: -648.955688 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -128.468 flat angles C4'-P-C4' energy: -151.162 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -133.582 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1771.408365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.408365 (E_RNA) where: Base-Base interactions energy: -1092.242 where: short stacking energy: -512.321 Base-Backbone interact. energy: -2.083 local terms energy: -677.083156 where: bonds (distance) C4'-P energy: -153.222 bonds (distance) P-C4' energy: -140.230 flat angles C4'-P-C4' energy: -151.646 flat angles P-C4'-P energy: -106.897 tors. eta vs tors. theta energy: -125.089 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: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1644.071315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.071315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.071315 (E_RNA) where: Base-Base interactions energy: -1068.297 where: short stacking energy: -526.665 Base-Backbone interact. energy: 0.724 local terms energy: -576.497952 where: bonds (distance) C4'-P energy: -135.590 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -131.742 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -106.494 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: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1362.602182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.602182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.602182 (E_RNA) where: Base-Base interactions energy: -814.632 where: short stacking energy: -411.739 Base-Backbone interact. energy: 0.193 local terms energy: -548.163576 where: bonds (distance) C4'-P energy: -137.367 bonds (distance) P-C4' energy: -138.291 flat angles C4'-P-C4' energy: -118.736 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -67.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1098.235159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.235159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.235159 (E_RNA) where: Base-Base interactions energy: -640.020 where: short stacking energy: -338.078 Base-Backbone interact. energy: -6.048 local terms energy: -452.166744 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -119.579 flat angles C4'-P-C4' energy: -119.356 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -34.353 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: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -808.079191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.079191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.079191 (E_RNA) where: Base-Base interactions energy: -363.310 where: short stacking energy: -225.739 Base-Backbone interact. energy: -0.578 local terms energy: -444.191532 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -135.703 flat angles C4'-P-C4' energy: -123.336 flat angles P-C4'-P energy: -61.069 tors. eta vs tors. theta energy: 4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -566.433547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.433547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.433547 (E_RNA) where: Base-Base interactions energy: -206.397 where: short stacking energy: -171.454 Base-Backbone interact. energy: 2.191 local terms energy: -362.227853 where: bonds (distance) C4'-P energy: -117.947 bonds (distance) P-C4' energy: -144.217 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -31.342 tors. eta vs tors. theta energy: 30.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2324.408788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.408788 (E_RNA) where: Base-Base interactions energy: -1537.835 where: short stacking energy: -677.963 Base-Backbone interact. energy: -4.564 local terms energy: -782.010394 where: bonds (distance) C4'-P energy: -157.946 bonds (distance) P-C4' energy: -147.697 flat angles C4'-P-C4' energy: -169.058 flat angles P-C4'-P energy: -114.078 tors. eta vs tors. theta energy: -193.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2289.111735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.111735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.111735 (E_RNA) where: Base-Base interactions energy: -1561.361 where: short stacking energy: -711.264 Base-Backbone interact. energy: -1.332 local terms energy: -726.418977 where: bonds (distance) C4'-P energy: -103.382 bonds (distance) P-C4' energy: -147.243 flat angles C4'-P-C4' energy: -176.524 flat angles P-C4'-P energy: -114.327 tors. eta vs tors. theta energy: -184.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2072.248235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.248235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.248235 (E_RNA) where: Base-Base interactions energy: -1383.845 where: short stacking energy: -620.918 Base-Backbone interact. energy: 0.637 local terms energy: -689.039749 where: bonds (distance) C4'-P energy: -119.547 bonds (distance) P-C4' energy: -154.887 flat angles C4'-P-C4' energy: -159.597 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -143.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1832.546818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.546818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.546818 (E_RNA) where: Base-Base interactions energy: -1151.422 where: short stacking energy: -537.193 Base-Backbone interact. energy: -1.981 local terms energy: -679.144484 where: bonds (distance) C4'-P energy: -145.473 bonds (distance) P-C4' energy: -161.870 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -127.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1754.331563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.331563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.331563 (E_RNA) where: Base-Base interactions energy: -1110.031 where: short stacking energy: -513.944 Base-Backbone interact. energy: 1.983 local terms energy: -646.283370 where: bonds (distance) C4'-P energy: -125.798 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -141.689 flat angles P-C4'-P energy: -94.121 tors. eta vs tors. theta energy: -125.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1613.100434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.100434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.100434 (E_RNA) where: Base-Base interactions energy: -985.424 where: short stacking energy: -467.756 Base-Backbone interact. energy: -0.072 local terms energy: -627.605038 where: bonds (distance) C4'-P energy: -149.694 bonds (distance) P-C4' energy: -153.402 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -99.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1328.959772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.959772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.959772 (E_RNA) where: Base-Base interactions energy: -818.717 where: short stacking energy: -375.619 Base-Backbone interact. energy: -0.323 local terms energy: -509.919511 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -102.888 flat angles C4'-P-C4' energy: -127.757 flat angles P-C4'-P energy: -85.520 tors. eta vs tors. theta energy: -66.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1096.305913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.305913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.305913 (E_RNA) where: Base-Base interactions energy: -613.286 where: short stacking energy: -327.720 Base-Backbone interact. energy: 0.159 local terms energy: -483.178223 where: bonds (distance) C4'-P energy: -139.707 bonds (distance) P-C4' energy: -113.051 flat angles C4'-P-C4' energy: -124.326 flat angles P-C4'-P energy: -74.626 tors. eta vs tors. theta energy: -31.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -816.094303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.094303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.094303 (E_RNA) where: Base-Base interactions energy: -414.330 where: short stacking energy: -240.599 Base-Backbone interact. energy: -3.141 local terms energy: -398.623436 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -122.799 flat angles C4'-P-C4' energy: -115.500 flat angles P-C4'-P energy: -42.918 tors. eta vs tors. theta energy: -8.200 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -584.205312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.205312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.205312 (E_RNA) where: Base-Base interactions energy: -182.826 where: short stacking energy: -134.060 Base-Backbone interact. energy: 1.878 local terms energy: -403.257825 where: bonds (distance) C4'-P energy: -112.236 bonds (distance) P-C4' energy: -140.249 flat angles C4'-P-C4' energy: -113.912 flat angles P-C4'-P energy: -68.686 tors. eta vs tors. theta energy: 31.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2327.419715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.419715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.419715 (E_RNA) where: Base-Base interactions energy: -1559.787 where: short stacking energy: -671.950 Base-Backbone interact. energy: -0.451 local terms energy: -767.181753 where: bonds (distance) C4'-P energy: -154.617 bonds (distance) P-C4' energy: -149.989 flat angles C4'-P-C4' energy: -172.527 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -178.952 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: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2275.861605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.861605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.861605 (E_RNA) where: Base-Base interactions energy: -1515.166 where: short stacking energy: -670.544 Base-Backbone interact. energy: -4.252 local terms energy: -756.443102 where: bonds (distance) C4'-P energy: -145.059 bonds (distance) P-C4' energy: -153.372 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -112.685 tors. eta vs tors. theta energy: -183.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2033.202488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.202488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.202488 (E_RNA) where: Base-Base interactions energy: -1350.531 where: short stacking energy: -594.202 Base-Backbone interact. energy: -1.348 local terms energy: -681.323196 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -148.185 flat angles C4'-P-C4' energy: -147.448 flat angles P-C4'-P energy: -100.518 tors. eta vs tors. theta energy: -143.154 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1772.749920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.749920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.749920 (E_RNA) where: Base-Base interactions energy: -1116.383 where: short stacking energy: -513.257 Base-Backbone interact. energy: 2.785 local terms energy: -659.151632 where: bonds (distance) C4'-P energy: -143.889 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -151.197 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -118.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1717.263002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.263002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.263002 (E_RNA) where: Base-Base interactions energy: -1106.878 where: short stacking energy: -508.051 Base-Backbone interact. energy: 3.446 local terms energy: -613.831176 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -154.406 flat angles C4'-P-C4' energy: -133.853 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -103.939 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: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1649.606870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.606870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.606870 (E_RNA) where: Base-Base interactions energy: -1014.491 where: short stacking energy: -486.016 Base-Backbone interact. energy: -1.107 local terms energy: -634.008902 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -140.191 flat angles C4'-P-C4' energy: -147.578 flat angles P-C4'-P energy: -99.958 tors. eta vs tors. theta energy: -116.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1298.920049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.920049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.920049 (E_RNA) where: Base-Base interactions energy: -765.772 where: short stacking energy: -404.142 Base-Backbone interact. energy: 3.567 local terms energy: -536.715539 where: bonds (distance) C4'-P energy: -123.918 bonds (distance) P-C4' energy: -133.253 flat angles C4'-P-C4' energy: -123.122 flat angles P-C4'-P energy: -86.934 tors. eta vs tors. theta energy: -69.488 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: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1081.809822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.809822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.809822 (E_RNA) where: Base-Base interactions energy: -609.665 where: short stacking energy: -293.459 Base-Backbone interact. energy: -1.877 local terms energy: -470.267820 where: bonds (distance) C4'-P energy: -103.003 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -122.356 flat angles P-C4'-P energy: -91.261 tors. eta vs tors. theta energy: -31.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -772.733429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.733429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.733429 (E_RNA) where: Base-Base interactions energy: -354.976 where: short stacking energy: -236.037 Base-Backbone interact. energy: 1.620 local terms energy: -419.377161 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -114.167 flat angles C4'-P-C4' energy: -110.362 flat angles P-C4'-P energy: -67.079 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -582.061721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.061721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.061721 (E_RNA) where: Base-Base interactions energy: -213.622 where: short stacking energy: -185.548 Base-Backbone interact. energy: 2.447 local terms energy: -370.886240 where: bonds (distance) C4'-P energy: -110.176 bonds (distance) P-C4' energy: -113.954 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -64.007 tors. eta vs tors. theta energy: 18.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2328.518845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.518845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.518845 (E_RNA) where: Base-Base interactions energy: -1562.561 where: short stacking energy: -694.768 Base-Backbone interact. energy: -1.112 local terms energy: -764.845827 where: bonds (distance) C4'-P energy: -144.957 bonds (distance) P-C4' energy: -164.273 flat angles C4'-P-C4' energy: -167.924 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -179.030 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: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2315.673265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.673265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.673265 (E_RNA) where: Base-Base interactions energy: -1577.588 where: short stacking energy: -673.935 Base-Backbone interact. energy: 3.182 local terms energy: -741.267348 where: bonds (distance) C4'-P energy: -150.639 bonds (distance) P-C4' energy: -145.655 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -121.783 tors. eta vs tors. theta energy: -171.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2042.526039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.526039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.526039 (E_RNA) where: Base-Base interactions energy: -1321.410 where: short stacking energy: -584.268 Base-Backbone interact. energy: -2.513 local terms energy: -718.602379 where: bonds (distance) C4'-P energy: -154.175 bonds (distance) P-C4' energy: -153.622 flat angles C4'-P-C4' energy: -166.734 flat angles P-C4'-P energy: -101.598 tors. eta vs tors. theta energy: -142.474 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: 40 Temperature: 1.050000 Total energy: -1913.759748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.759748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.759748 (E_RNA) where: Base-Base interactions energy: -1205.681 where: short stacking energy: -573.125 Base-Backbone interact. energy: 2.269 local terms energy: -710.347509 where: bonds (distance) C4'-P energy: -138.480 bonds (distance) P-C4' energy: -160.109 flat angles C4'-P-C4' energy: -160.864 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -149.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1726.325997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.325997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.325997 (E_RNA) where: Base-Base interactions energy: -1111.466 where: short stacking energy: -522.588 Base-Backbone interact. energy: -2.412 local terms energy: -612.447827 where: bonds (distance) C4'-P energy: -132.413 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -151.273 flat angles P-C4'-P energy: -82.911 tors. eta vs tors. theta energy: -124.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1551.602528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.602528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.602528 (E_RNA) where: Base-Base interactions energy: -956.263 where: short stacking energy: -441.305 Base-Backbone interact. energy: -4.591 local terms energy: -590.748016 where: bonds (distance) C4'-P energy: -142.427 bonds (distance) P-C4' energy: -147.258 flat angles C4'-P-C4' energy: -131.547 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -86.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1297.316175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.316175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.316175 (E_RNA) where: Base-Base interactions energy: -761.749 where: short stacking energy: -393.537 Base-Backbone interact. energy: 1.313 local terms energy: -536.880784 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -141.775 flat angles C4'-P-C4' energy: -125.644 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: -64.484 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: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1107.488488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.488488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.488488 (E_RNA) where: Base-Base interactions energy: -636.712 where: short stacking energy: -321.262 Base-Backbone interact. energy: -3.512 local terms energy: -467.265324 where: bonds (distance) C4'-P energy: -110.866 bonds (distance) P-C4' energy: -134.228 flat angles C4'-P-C4' energy: -119.358 flat angles P-C4'-P energy: -70.057 tors. eta vs tors. theta energy: -32.756 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: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -793.865931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.865931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.865931 (E_RNA) where: Base-Base interactions energy: -390.972 where: short stacking energy: -228.187 Base-Backbone interact. energy: -1.551 local terms energy: -401.342927 where: bonds (distance) C4'-P energy: -120.665 bonds (distance) P-C4' energy: -127.956 flat angles C4'-P-C4' energy: -111.555 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: 5.495 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: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -611.956839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.956839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.956839 (E_RNA) where: Base-Base interactions energy: -236.756 where: short stacking energy: -187.357 Base-Backbone interact. energy: 3.209 local terms energy: -378.410022 where: bonds (distance) C4'-P energy: -113.066 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -101.130 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: 19.752 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: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2375.729926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.729926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.729926 (E_RNA) where: Base-Base interactions energy: -1607.913 where: short stacking energy: -705.463 Base-Backbone interact. energy: -1.252 local terms energy: -766.565448 where: bonds (distance) C4'-P energy: -145.215 bonds (distance) P-C4' energy: -160.615 flat angles C4'-P-C4' energy: -168.359 flat angles P-C4'-P energy: -110.547 tors. eta vs tors. theta energy: -181.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2311.343363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.343363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.343363 (E_RNA) where: Base-Base interactions energy: -1582.769 where: short stacking energy: -672.946 Base-Backbone interact. energy: -3.621 local terms energy: -724.952977 where: bonds (distance) C4'-P energy: -133.736 bonds (distance) P-C4' energy: -148.791 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -98.218 tors. eta vs tors. theta energy: -185.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2103.075361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.075361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.075361 (E_RNA) where: Base-Base interactions energy: -1391.347 where: short stacking energy: -631.687 Base-Backbone interact. energy: -3.066 local terms energy: -708.662559 where: bonds (distance) C4'-P energy: -141.880 bonds (distance) P-C4' energy: -149.027 flat angles C4'-P-C4' energy: -160.435 flat angles P-C4'-P energy: -104.543 tors. eta vs tors. theta energy: -152.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1872.929994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.929994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.929994 (E_RNA) where: Base-Base interactions energy: -1192.998 where: short stacking energy: -526.916 Base-Backbone interact. energy: -3.919 local terms energy: -676.012711 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -158.491 flat angles C4'-P-C4' energy: -150.400 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -144.097 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: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1691.582322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.582322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.582322 (E_RNA) where: Base-Base interactions energy: -1081.864 where: short stacking energy: -502.084 Base-Backbone interact. energy: -3.865 local terms energy: -605.852927 where: bonds (distance) C4'-P energy: -119.545 bonds (distance) P-C4' energy: -148.030 flat angles C4'-P-C4' energy: -139.625 flat angles P-C4'-P energy: -91.060 tors. eta vs tors. theta energy: -107.593 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1509.695569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.695569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.695569 (E_RNA) where: Base-Base interactions energy: -921.932 where: short stacking energy: -447.727 Base-Backbone interact. energy: 0.590 local terms energy: -588.352878 where: bonds (distance) C4'-P energy: -124.925 bonds (distance) P-C4' energy: -141.862 flat angles C4'-P-C4' energy: -137.200 flat angles P-C4'-P energy: -97.245 tors. eta vs tors. theta energy: -87.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1314.893047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.893047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.893047 (E_RNA) where: Base-Base interactions energy: -745.401 where: short stacking energy: -372.997 Base-Backbone interact. energy: -0.937 local terms energy: -568.554355 where: bonds (distance) C4'-P energy: -139.969 bonds (distance) P-C4' energy: -153.983 flat angles C4'-P-C4' energy: -113.647 flat angles P-C4'-P energy: -101.265 tors. eta vs tors. theta energy: -59.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1157.783345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.783345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.783345 (E_RNA) where: Base-Base interactions energy: -639.556 where: short stacking energy: -329.841 Base-Backbone interact. energy: -0.819 local terms energy: -517.408072 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -84.657 tors. eta vs tors. theta energy: -43.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -812.416909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.416909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.416909 (E_RNA) where: Base-Base interactions energy: -386.864 where: short stacking energy: -210.179 Base-Backbone interact. energy: -0.847 local terms energy: -424.706111 where: bonds (distance) C4'-P energy: -119.774 bonds (distance) P-C4' energy: -138.338 flat angles C4'-P-C4' energy: -116.587 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: 12.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -643.343796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.343796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.343796 (E_RNA) where: Base-Base interactions energy: -242.386 where: short stacking energy: -162.109 Base-Backbone interact. energy: 2.022 local terms energy: -402.979702 where: bonds (distance) C4'-P energy: -131.889 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -115.085 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: 23.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2360.025247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.025247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.025247 (E_RNA) where: Base-Base interactions energy: -1570.513 where: short stacking energy: -681.483 Base-Backbone interact. energy: -3.261 local terms energy: -786.251247 where: bonds (distance) C4'-P energy: -162.883 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -175.738 flat angles P-C4'-P energy: -102.973 tors. eta vs tors. theta energy: -189.041 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: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2335.633920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.633920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.633920 (E_RNA) where: Base-Base interactions energy: -1588.712 where: short stacking energy: -673.355 Base-Backbone interact. energy: -4.005 local terms energy: -742.916981 where: bonds (distance) C4'-P energy: -141.454 bonds (distance) P-C4' energy: -165.880 flat angles C4'-P-C4' energy: -160.528 flat angles P-C4'-P energy: -105.424 tors. eta vs tors. theta energy: -169.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2073.794673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.794673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.794673 (E_RNA) where: Base-Base interactions energy: -1352.638 where: short stacking energy: -641.127 Base-Backbone interact. energy: 0.693 local terms energy: -721.849880 where: bonds (distance) C4'-P energy: -147.771 bonds (distance) P-C4' energy: -145.240 flat angles C4'-P-C4' energy: -159.457 flat angles P-C4'-P energy: -112.951 tors. eta vs tors. theta energy: -156.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1942.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.786069 (E_RNA) where: Base-Base interactions energy: -1244.276 where: short stacking energy: -594.800 Base-Backbone interact. energy: 2.126 local terms energy: -700.636090 where: bonds (distance) C4'-P energy: -134.720 bonds (distance) P-C4' energy: -152.334 flat angles C4'-P-C4' energy: -158.695 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -165.482 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: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1742.118716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.118716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.118716 (E_RNA) where: Base-Base interactions energy: -1090.168 where: short stacking energy: -524.564 Base-Backbone interact. energy: -0.421 local terms energy: -651.529924 where: bonds (distance) C4'-P energy: -143.687 bonds (distance) P-C4' energy: -142.923 flat angles C4'-P-C4' energy: -162.936 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -110.515 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: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1592.733088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.733088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.733088 (E_RNA) where: Base-Base interactions energy: -1037.188 where: short stacking energy: -482.686 Base-Backbone interact. energy: 0.118 local terms energy: -555.662778 where: bonds (distance) C4'-P energy: -138.731 bonds (distance) P-C4' energy: -127.061 flat angles C4'-P-C4' energy: -116.171 flat angles P-C4'-P energy: -83.712 tors. eta vs tors. theta energy: -89.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1273.191575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.191575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.191575 (E_RNA) where: Base-Base interactions energy: -726.733 where: short stacking energy: -356.540 Base-Backbone interact. energy: -3.205 local terms energy: -543.253493 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -153.475 flat angles C4'-P-C4' energy: -120.230 flat angles P-C4'-P energy: -87.983 tors. eta vs tors. theta energy: -61.171 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: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1218.648103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.648103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.648103 (E_RNA) where: Base-Base interactions energy: -731.187 where: short stacking energy: -326.039 Base-Backbone interact. energy: -2.635 local terms energy: -484.826121 where: bonds (distance) C4'-P energy: -133.390 bonds (distance) P-C4' energy: -118.291 flat angles C4'-P-C4' energy: -130.223 flat angles P-C4'-P energy: -66.327 tors. eta vs tors. theta energy: -36.595 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: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -844.556244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.556244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.556244 (E_RNA) where: Base-Base interactions energy: -426.134 where: short stacking energy: -242.499 Base-Backbone interact. energy: 8.420 local terms energy: -426.842357 where: bonds (distance) C4'-P energy: -131.678 bonds (distance) P-C4' energy: -133.616 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -65.125 tors. eta vs tors. theta energy: 4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -605.300983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.300983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.300983 (E_RNA) where: Base-Base interactions energy: -247.860 where: short stacking energy: -212.767 Base-Backbone interact. energy: 6.151 local terms energy: -363.592201 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -125.186 flat angles C4'-P-C4' energy: -93.702 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: 26.008 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: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2405.851135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.851135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.851135 (E_RNA) where: Base-Base interactions energy: -1632.235 where: short stacking energy: -714.433 Base-Backbone interact. energy: -4.336 local terms energy: -769.280537 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -152.152 flat angles C4'-P-C4' energy: -164.008 flat angles P-C4'-P energy: -111.104 tors. eta vs tors. theta energy: -202.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2399.209973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.209973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.209973 (E_RNA) where: Base-Base interactions energy: -1646.133 where: short stacking energy: -672.704 Base-Backbone interact. energy: -2.198 local terms energy: -750.878631 where: bonds (distance) C4'-P energy: -143.823 bonds (distance) P-C4' energy: -149.791 flat angles C4'-P-C4' energy: -170.562 flat angles P-C4'-P energy: -106.692 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: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2086.184453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.184453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.184453 (E_RNA) where: Base-Base interactions energy: -1382.388 where: short stacking energy: -643.705 Base-Backbone interact. energy: -1.449 local terms energy: -702.348184 where: bonds (distance) C4'-P energy: -149.725 bonds (distance) P-C4' energy: -163.023 flat angles C4'-P-C4' energy: -150.527 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -145.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1814.846777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.846777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.846777 (E_RNA) where: Base-Base interactions energy: -1135.240 where: short stacking energy: -562.607 Base-Backbone interact. energy: -1.400 local terms energy: -678.206903 where: bonds (distance) C4'-P energy: -136.782 bonds (distance) P-C4' energy: -138.881 flat angles C4'-P-C4' energy: -173.096 flat angles P-C4'-P energy: -91.471 tors. eta vs tors. theta energy: -137.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1778.703448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.703448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.703448 (E_RNA) where: Base-Base interactions energy: -1109.580 where: short stacking energy: -544.381 Base-Backbone interact. energy: -4.124 local terms energy: -664.999358 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -150.524 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -111.185 tors. eta vs tors. theta energy: -129.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1602.366298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.366298 (E_RNA) where: Base-Base interactions energy: -986.642 where: short stacking energy: -469.103 Base-Backbone interact. energy: -1.512 local terms energy: -614.212173 where: bonds (distance) C4'-P energy: -135.739 bonds (distance) P-C4' energy: -144.326 flat angles C4'-P-C4' energy: -148.855 flat angles P-C4'-P energy: -89.712 tors. eta vs tors. theta energy: -95.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1286.763030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.763030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.763030 (E_RNA) where: Base-Base interactions energy: -773.607 where: short stacking energy: -396.226 Base-Backbone interact. energy: 0.103 local terms energy: -513.258644 where: bonds (distance) C4'-P energy: -113.013 bonds (distance) P-C4' energy: -134.715 flat angles C4'-P-C4' energy: -115.251 flat angles P-C4'-P energy: -100.282 tors. eta vs tors. theta energy: -49.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1164.223129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.223129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.223129 (E_RNA) where: Base-Base interactions energy: -631.540 where: short stacking energy: -325.954 Base-Backbone interact. energy: 0.408 local terms energy: -533.091184 where: bonds (distance) C4'-P energy: -126.315 bonds (distance) P-C4' energy: -156.136 flat angles C4'-P-C4' energy: -128.918 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -46.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -844.376202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.376202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.376202 (E_RNA) where: Base-Base interactions energy: -430.259 where: short stacking energy: -297.668 Base-Backbone interact. energy: 8.431 local terms energy: -422.547634 where: bonds (distance) C4'-P energy: -112.460 bonds (distance) P-C4' energy: -129.863 flat angles C4'-P-C4' energy: -102.024 flat angles P-C4'-P energy: -55.899 tors. eta vs tors. theta energy: -22.301 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: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -603.062286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.062286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.062286 (E_RNA) where: Base-Base interactions energy: -233.309 where: short stacking energy: -163.115 Base-Backbone interact. energy: 0.202 local terms energy: -369.955289 where: bonds (distance) C4'-P energy: -131.073 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -92.028 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: 35.629 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: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2425.392793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.392793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.392793 (E_RNA) where: Base-Base interactions energy: -1635.788 where: short stacking energy: -699.985 Base-Backbone interact. energy: 0.049 local terms energy: -789.653646 where: bonds (distance) C4'-P energy: -163.440 bonds (distance) P-C4' energy: -157.533 flat angles C4'-P-C4' energy: -176.273 flat angles P-C4'-P energy: -106.793 tors. eta vs tors. theta energy: -185.615 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: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2312.154172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.154172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.154172 (E_RNA) where: Base-Base interactions energy: -1550.101 where: short stacking energy: -674.754 Base-Backbone interact. energy: -3.926 local terms energy: -758.126983 where: bonds (distance) C4'-P energy: -155.722 bonds (distance) P-C4' energy: -151.254 flat angles C4'-P-C4' energy: -163.073 flat angles P-C4'-P energy: -112.491 tors. eta vs tors. theta energy: -175.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2054.589863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.589863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.589863 (E_RNA) where: Base-Base interactions energy: -1371.126 where: short stacking energy: -611.855 Base-Backbone interact. energy: -1.949 local terms energy: -681.514428 where: bonds (distance) C4'-P energy: -132.745 bonds (distance) P-C4' energy: -155.843 flat angles C4'-P-C4' energy: -159.656 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -133.056 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: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1809.220174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.220174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.220174 (E_RNA) where: Base-Base interactions energy: -1131.730 where: short stacking energy: -517.196 Base-Backbone interact. energy: -3.601 local terms energy: -673.889120 where: bonds (distance) C4'-P energy: -138.985 bonds (distance) P-C4' energy: -154.617 flat angles C4'-P-C4' energy: -152.337 flat angles P-C4'-P energy: -98.835 tors. eta vs tors. theta energy: -129.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1826.056651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.056651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.056651 (E_RNA) where: Base-Base interactions energy: -1198.247 where: short stacking energy: -550.110 Base-Backbone interact. energy: 3.935 local terms energy: -631.744571 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -137.489 flat angles C4'-P-C4' energy: -138.389 flat angles P-C4'-P energy: -89.383 tors. eta vs tors. theta energy: -134.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1539.738273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.738273 (E_RNA) where: Base-Base interactions energy: -945.228 where: short stacking energy: -440.578 Base-Backbone interact. energy: -7.772 local terms energy: -586.737726 where: bonds (distance) C4'-P energy: -118.078 bonds (distance) P-C4' energy: -160.269 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -84.748 tors. eta vs tors. theta energy: -81.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1258.588287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.588287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.588287 (E_RNA) where: Base-Base interactions energy: -744.673 where: short stacking energy: -383.266 Base-Backbone interact. energy: -1.044 local terms energy: -512.871667 where: bonds (distance) C4'-P energy: -126.986 bonds (distance) P-C4' energy: -144.222 flat angles C4'-P-C4' energy: -106.531 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -62.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1116.334329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.334329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.334329 (E_RNA) where: Base-Base interactions energy: -634.346 where: short stacking energy: -333.405 Base-Backbone interact. energy: 1.436 local terms energy: -483.424193 where: bonds (distance) C4'-P energy: -118.215 bonds (distance) P-C4' energy: -130.586 flat angles C4'-P-C4' energy: -111.084 flat angles P-C4'-P energy: -80.094 tors. eta vs tors. theta energy: -43.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -863.413653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.413653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.413653 (E_RNA) where: Base-Base interactions energy: -417.054 where: short stacking energy: -244.118 Base-Backbone interact. energy: -2.677 local terms energy: -443.682475 where: bonds (distance) C4'-P energy: -114.893 bonds (distance) P-C4' energy: -147.643 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -1.665 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: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -632.885266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.885266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.885266 (E_RNA) where: Base-Base interactions energy: -266.619 where: short stacking energy: -191.820 Base-Backbone interact. energy: -2.221 local terms energy: -364.045590 where: bonds (distance) C4'-P energy: -112.294 bonds (distance) P-C4' energy: -127.876 flat angles C4'-P-C4' energy: -97.982 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: 19.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2465.450531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.450531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.450531 (E_RNA) where: Base-Base interactions energy: -1709.870 where: short stacking energy: -710.445 Base-Backbone interact. energy: -4.320 local terms energy: -751.259958 where: bonds (distance) C4'-P energy: -150.718 bonds (distance) P-C4' energy: -146.966 flat angles C4'-P-C4' energy: -162.652 flat angles P-C4'-P energy: -108.949 tors. eta vs tors. theta energy: -181.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2347.416774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.416774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.416774 (E_RNA) where: Base-Base interactions energy: -1580.498 where: short stacking energy: -661.082 Base-Backbone interact. energy: -5.132 local terms energy: -761.786686 where: bonds (distance) C4'-P energy: -156.013 bonds (distance) P-C4' energy: -153.886 flat angles C4'-P-C4' energy: -166.034 flat angles P-C4'-P energy: -94.044 tors. eta vs tors. theta energy: -191.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2037.471860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.471860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.471860 (E_RNA) where: Base-Base interactions energy: -1343.341 where: short stacking energy: -600.991 Base-Backbone interact. energy: 0.534 local terms energy: -694.664009 where: bonds (distance) C4'-P energy: -149.264 bonds (distance) P-C4' energy: -158.640 flat angles C4'-P-C4' energy: -153.197 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -131.098 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: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1890.227257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.227257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.227257 (E_RNA) where: Base-Base interactions energy: -1193.809 where: short stacking energy: -591.623 Base-Backbone interact. energy: 3.847 local terms energy: -700.265083 where: bonds (distance) C4'-P energy: -134.821 bonds (distance) P-C4' energy: -141.859 flat angles C4'-P-C4' energy: -171.451 flat angles P-C4'-P energy: -100.444 tors. eta vs tors. theta energy: -151.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1790.785868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.785868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.785868 (E_RNA) where: Base-Base interactions energy: -1156.397 where: short stacking energy: -523.132 Base-Backbone interact. energy: -0.448 local terms energy: -633.940786 where: bonds (distance) C4'-P energy: -107.527 bonds (distance) P-C4' energy: -143.147 flat angles C4'-P-C4' energy: -155.791 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -123.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1638.366623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.366623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.366623 (E_RNA) where: Base-Base interactions energy: -1061.256 where: short stacking energy: -494.667 Base-Backbone interact. energy: 7.994 local terms energy: -585.104406 where: bonds (distance) C4'-P energy: -123.266 bonds (distance) P-C4' energy: -141.300 flat angles C4'-P-C4' energy: -129.653 flat angles P-C4'-P energy: -75.620 tors. eta vs tors. theta energy: -115.265 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: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1239.060546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.060546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.060546 (E_RNA) where: Base-Base interactions energy: -742.391 where: short stacking energy: -394.260 Base-Backbone interact. energy: 1.725 local terms energy: -498.393677 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -120.489 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -44.473 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: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1159.569141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.569141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.569141 (E_RNA) where: Base-Base interactions energy: -652.234 where: short stacking energy: -331.720 Base-Backbone interact. energy: -1.279 local terms energy: -506.055923 where: bonds (distance) C4'-P energy: -137.237 bonds (distance) P-C4' energy: -114.793 flat angles C4'-P-C4' energy: -138.723 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -39.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -879.011646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.011646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.011646 (E_RNA) where: Base-Base interactions energy: -411.751 where: short stacking energy: -229.428 Base-Backbone interact. energy: -1.723 local terms energy: -465.537116 where: bonds (distance) C4'-P energy: -121.470 bonds (distance) P-C4' energy: -139.845 flat angles C4'-P-C4' energy: -131.685 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -685.403760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.403760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.403760 (E_RNA) where: Base-Base interactions energy: -284.240 where: short stacking energy: -187.069 Base-Backbone interact. energy: -1.370 local terms energy: -399.793236 where: bonds (distance) C4'-P energy: -136.189 bonds (distance) P-C4' energy: -140.825 flat angles C4'-P-C4' energy: -95.194 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: 33.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2448.913452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.913452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.913452 (E_RNA) where: Base-Base interactions energy: -1690.384 where: short stacking energy: -702.118 Base-Backbone interact. energy: -5.770 local terms energy: -752.759994 where: bonds (distance) C4'-P energy: -137.088 bonds (distance) P-C4' energy: -150.472 flat angles C4'-P-C4' energy: -172.418 flat angles P-C4'-P energy: -108.119 tors. eta vs tors. theta energy: -184.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2304.781453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.781453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.781453 (E_RNA) where: Base-Base interactions energy: -1541.900 where: short stacking energy: -648.688 Base-Backbone interact. energy: -2.233 local terms energy: -760.648752 where: bonds (distance) C4'-P energy: -155.650 bonds (distance) P-C4' energy: -166.002 flat angles C4'-P-C4' energy: -155.598 flat angles P-C4'-P energy: -104.406 tors. eta vs tors. theta energy: -178.992 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: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2061.127082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.127082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.127082 (E_RNA) where: Base-Base interactions energy: -1364.196 where: short stacking energy: -570.707 Base-Backbone interact. energy: 1.320 local terms energy: -698.251222 where: bonds (distance) C4'-P energy: -142.016 bonds (distance) P-C4' energy: -154.066 flat angles C4'-P-C4' energy: -138.734 flat angles P-C4'-P energy: -111.380 tors. eta vs tors. theta energy: -152.056 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1947.865932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.865932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.865932 (E_RNA) where: Base-Base interactions energy: -1242.565 where: short stacking energy: -574.263 Base-Backbone interact. energy: -2.625 local terms energy: -702.676014 where: bonds (distance) C4'-P energy: -154.081 bonds (distance) P-C4' energy: -136.271 flat angles C4'-P-C4' energy: -152.480 flat angles P-C4'-P energy: -107.003 tors. eta vs tors. theta energy: -152.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1820.834885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.834885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.834885 (E_RNA) where: Base-Base interactions energy: -1143.262 where: short stacking energy: -538.411 Base-Backbone interact. energy: -1.281 local terms energy: -676.291328 where: bonds (distance) C4'-P energy: -131.565 bonds (distance) P-C4' energy: -156.393 flat angles C4'-P-C4' energy: -164.555 flat angles P-C4'-P energy: -91.884 tors. eta vs tors. theta energy: -131.894 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: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1640.313616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.313616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.313616 (E_RNA) where: Base-Base interactions energy: -1080.315 where: short stacking energy: -498.013 Base-Backbone interact. energy: 0.371 local terms energy: -560.369960 where: bonds (distance) C4'-P energy: -129.791 bonds (distance) P-C4' energy: -124.112 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -86.821 tors. eta vs tors. theta energy: -84.986 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: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1342.968887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.968887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.968887 (E_RNA) where: Base-Base interactions energy: -797.642 where: short stacking energy: -411.496 Base-Backbone interact. energy: 1.955 local terms energy: -547.281997 where: bonds (distance) C4'-P energy: -143.332 bonds (distance) P-C4' energy: -151.956 flat angles C4'-P-C4' energy: -130.074 flat angles P-C4'-P energy: -62.372 tors. eta vs tors. theta energy: -59.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1178.390601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.390601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.390601 (E_RNA) where: Base-Base interactions energy: -667.763 where: short stacking energy: -382.025 Base-Backbone interact. energy: -3.630 local terms energy: -506.997659 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -132.005 flat angles C4'-P-C4' energy: -131.129 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -44.136 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: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -903.765448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.765448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.765448 (E_RNA) where: Base-Base interactions energy: -469.046 where: short stacking energy: -248.986 Base-Backbone interact. energy: -3.861 local terms energy: -430.858025 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -122.052 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -67.076 tors. eta vs tors. theta energy: -10.332 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -633.858330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.858330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.858330 (E_RNA) where: Base-Base interactions energy: -287.301 where: short stacking energy: -186.552 Base-Backbone interact. energy: 1.126 local terms energy: -347.683604 where: bonds (distance) C4'-P energy: -107.121 bonds (distance) P-C4' energy: -132.745 flat angles C4'-P-C4' energy: -82.371 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: 31.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2479.055029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.055029 (E_RNA) where: Base-Base interactions energy: -1696.275 where: short stacking energy: -704.597 Base-Backbone interact. energy: -5.841 local terms energy: -776.938642 where: bonds (distance) C4'-P energy: -132.671 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -176.680 flat angles P-C4'-P energy: -118.550 tors. eta vs tors. theta energy: -193.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2300.570835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.570835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.570835 (E_RNA) where: Base-Base interactions energy: -1530.681 where: short stacking energy: -680.770 Base-Backbone interact. energy: -2.241 local terms energy: -767.648344 where: bonds (distance) C4'-P energy: -141.925 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -169.130 flat angles P-C4'-P energy: -104.647 tors. eta vs tors. theta energy: -184.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2128.925466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.925466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.925466 (E_RNA) where: Base-Base interactions energy: -1391.567 where: short stacking energy: -634.313 Base-Backbone interact. energy: -2.732 local terms energy: -734.626194 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -148.033 flat angles C4'-P-C4' energy: -165.304 flat angles P-C4'-P energy: -106.828 tors. eta vs tors. theta energy: -157.207 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: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1943.713611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.713611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.713611 (E_RNA) where: Base-Base interactions energy: -1265.321 where: short stacking energy: -610.897 Base-Backbone interact. energy: 0.858 local terms energy: -679.250633 where: bonds (distance) C4'-P energy: -128.586 bonds (distance) P-C4' energy: -136.214 flat angles C4'-P-C4' energy: -160.836 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -156.764 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: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1805.977683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.977683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.977683 (E_RNA) where: Base-Base interactions energy: -1145.853 where: short stacking energy: -521.198 Base-Backbone interact. energy: 0.272 local terms energy: -660.396644 where: bonds (distance) C4'-P energy: -149.125 bonds (distance) P-C4' energy: -130.279 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -105.458 tors. eta vs tors. theta energy: -125.083 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1638.929076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.929076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.929076 (E_RNA) where: Base-Base interactions energy: -1041.898 where: short stacking energy: -492.687 Base-Backbone interact. energy: -1.548 local terms energy: -595.482624 where: bonds (distance) C4'-P energy: -123.819 bonds (distance) P-C4' energy: -128.258 flat angles C4'-P-C4' energy: -150.095 flat angles P-C4'-P energy: -88.345 tors. eta vs tors. theta energy: -104.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1380.327381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.327381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.327381 (E_RNA) where: Base-Base interactions energy: -835.679 where: short stacking energy: -399.626 Base-Backbone interact. energy: -3.090 local terms energy: -541.558381 where: bonds (distance) C4'-P energy: -139.426 bonds (distance) P-C4' energy: -146.616 flat angles C4'-P-C4' energy: -117.440 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -64.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1248.411885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.411885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.411885 (E_RNA) where: Base-Base interactions energy: -750.737 where: short stacking energy: -379.792 Base-Backbone interact. energy: 4.909 local terms energy: -502.583259 where: bonds (distance) C4'-P energy: -118.140 bonds (distance) P-C4' energy: -130.425 flat angles C4'-P-C4' energy: -129.109 flat angles P-C4'-P energy: -66.740 tors. eta vs tors. theta energy: -58.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -970.459170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.459170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.459170 (E_RNA) where: Base-Base interactions energy: -500.659 where: short stacking energy: -267.204 Base-Backbone interact. energy: 0.562 local terms energy: -470.362213 where: bonds (distance) C4'-P energy: -119.861 bonds (distance) P-C4' energy: -141.813 flat angles C4'-P-C4' energy: -124.346 flat angles P-C4'-P energy: -73.223 tors. eta vs tors. theta energy: -11.120 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: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -769.545789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.545789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.545789 (E_RNA) where: Base-Base interactions energy: -376.972 where: short stacking energy: -216.225 Base-Backbone interact. energy: 3.172 local terms energy: -395.745579 where: bonds (distance) C4'-P energy: -112.900 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -133.642 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: 17.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2452.840814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.840814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.840814 (E_RNA) where: Base-Base interactions energy: -1686.653 where: short stacking energy: -724.553 Base-Backbone interact. energy: -4.053 local terms energy: -762.135267 where: bonds (distance) C4'-P energy: -147.832 bonds (distance) P-C4' energy: -143.454 flat angles C4'-P-C4' energy: -164.453 flat angles P-C4'-P energy: -110.374 tors. eta vs tors. theta energy: -196.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2290.820115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.820115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.820115 (E_RNA) where: Base-Base interactions energy: -1520.359 where: short stacking energy: -657.798 Base-Backbone interact. energy: 0.977 local terms energy: -771.438626 where: bonds (distance) C4'-P energy: -144.507 bonds (distance) P-C4' energy: -164.504 flat angles C4'-P-C4' energy: -175.036 flat angles P-C4'-P energy: -111.497 tors. eta vs tors. theta energy: -175.895 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: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2027.428324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.428324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.428324 (E_RNA) where: Base-Base interactions energy: -1315.589 where: short stacking energy: -593.031 Base-Backbone interact. energy: -1.884 local terms energy: -709.955249 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -159.067 flat angles C4'-P-C4' energy: -170.903 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -130.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1956.070090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.070090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.070090 (E_RNA) where: Base-Base interactions energy: -1276.256 where: short stacking energy: -593.746 Base-Backbone interact. energy: -1.254 local terms energy: -678.560398 where: bonds (distance) C4'-P energy: -150.223 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -155.341 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -146.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1832.679280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.679280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.679280 (E_RNA) where: Base-Base interactions energy: -1187.560 where: short stacking energy: -572.002 Base-Backbone interact. energy: -0.958 local terms energy: -644.161599 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -121.648 flat angles C4'-P-C4' energy: -151.388 flat angles P-C4'-P energy: -89.719 tors. eta vs tors. theta energy: -140.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1607.045102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.045102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.045102 (E_RNA) where: Base-Base interactions energy: -1045.864 where: short stacking energy: -494.578 Base-Backbone interact. energy: 0.118 local terms energy: -561.299250 where: bonds (distance) C4'-P energy: -112.186 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -112.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1453.343964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.343964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.343964 (E_RNA) where: Base-Base interactions energy: -919.066 where: short stacking energy: -429.427 Base-Backbone interact. energy: -2.193 local terms energy: -532.084703 where: bonds (distance) C4'-P energy: -138.813 bonds (distance) P-C4' energy: -130.749 flat angles C4'-P-C4' energy: -120.348 flat angles P-C4'-P energy: -67.315 tors. eta vs tors. theta energy: -74.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1186.512137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.512137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.512137 (E_RNA) where: Base-Base interactions energy: -663.767 where: short stacking energy: -331.138 Base-Backbone interact. energy: -0.751 local terms energy: -521.993984 where: bonds (distance) C4'-P energy: -135.574 bonds (distance) P-C4' energy: -127.258 flat angles C4'-P-C4' energy: -120.768 flat angles P-C4'-P energy: -87.436 tors. eta vs tors. theta energy: -50.959 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: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -843.286575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.286575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.286575 (E_RNA) where: Base-Base interactions energy: -418.873 where: short stacking energy: -239.713 Base-Backbone interact. energy: 2.539 local terms energy: -426.951937 where: bonds (distance) C4'-P energy: -113.692 bonds (distance) P-C4' energy: -133.935 flat angles C4'-P-C4' energy: -110.019 flat angles P-C4'-P energy: -81.208 tors. eta vs tors. theta energy: 11.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -908.841349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.841349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.841349 (E_RNA) where: Base-Base interactions energy: -476.447 where: short stacking energy: -268.044 Base-Backbone interact. energy: 9.780 local terms energy: -442.174342 where: bonds (distance) C4'-P energy: -132.835 bonds (distance) P-C4' energy: -133.005 flat angles C4'-P-C4' energy: -126.935 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -12.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2447.877829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.877829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.877829 (E_RNA) where: Base-Base interactions energy: -1684.220 where: short stacking energy: -720.289 Base-Backbone interact. energy: -1.916 local terms energy: -761.742188 where: bonds (distance) C4'-P energy: -154.345 bonds (distance) P-C4' energy: -144.000 flat angles C4'-P-C4' energy: -172.382 flat angles P-C4'-P energy: -99.978 tors. eta vs tors. theta energy: -191.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2299.472188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.472188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.472188 (E_RNA) where: Base-Base interactions energy: -1579.385 where: short stacking energy: -643.780 Base-Backbone interact. energy: -6.626 local terms energy: -713.460915 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -146.678 flat angles C4'-P-C4' energy: -165.312 flat angles P-C4'-P energy: -96.919 tors. eta vs tors. theta energy: -166.922 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: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2105.003318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.003318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.003318 (E_RNA) where: Base-Base interactions energy: -1368.612 where: short stacking energy: -641.277 Base-Backbone interact. energy: -4.454 local terms energy: -731.937500 where: bonds (distance) C4'-P energy: -140.956 bonds (distance) P-C4' energy: -167.934 flat angles C4'-P-C4' energy: -149.431 flat angles P-C4'-P energy: -108.706 tors. eta vs tors. theta energy: -164.910 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: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1928.617174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.617174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.617174 (E_RNA) where: Base-Base interactions energy: -1269.364 where: short stacking energy: -573.108 Base-Backbone interact. energy: -1.767 local terms energy: -657.486151 where: bonds (distance) C4'-P energy: -140.846 bonds (distance) P-C4' energy: -147.433 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -98.847 tors. eta vs tors. theta energy: -128.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1868.472712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.472712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.472712 (E_RNA) where: Base-Base interactions energy: -1200.344 where: short stacking energy: -588.737 Base-Backbone interact. energy: -3.433 local terms energy: -664.695069 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -157.989 flat angles C4'-P-C4' energy: -130.026 flat angles P-C4'-P energy: -96.639 tors. eta vs tors. theta energy: -141.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1636.701952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.701952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.701952 (E_RNA) where: Base-Base interactions energy: -1011.693 where: short stacking energy: -475.069 Base-Backbone interact. energy: -2.184 local terms energy: -622.825149 where: bonds (distance) C4'-P energy: -119.212 bonds (distance) P-C4' energy: -158.385 flat angles C4'-P-C4' energy: -150.611 flat angles P-C4'-P energy: -84.820 tors. eta vs tors. theta energy: -109.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1469.376482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.376482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.376482 (E_RNA) where: Base-Base interactions energy: -926.704 where: short stacking energy: -407.010 Base-Backbone interact. energy: 0.895 local terms energy: -543.566926 where: bonds (distance) C4'-P energy: -144.588 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -115.390 flat angles P-C4'-P energy: -80.772 tors. eta vs tors. theta energy: -78.488 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: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1260.031163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.031163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.031163 (E_RNA) where: Base-Base interactions energy: -740.817 where: short stacking energy: -391.592 Base-Backbone interact. energy: 2.852 local terms energy: -522.066017 where: bonds (distance) C4'-P energy: -119.721 bonds (distance) P-C4' energy: -142.072 flat angles C4'-P-C4' energy: -135.931 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -65.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -850.881790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.881790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.881790 (E_RNA) where: Base-Base interactions energy: -422.619 where: short stacking energy: -245.092 Base-Backbone interact. energy: -1.367 local terms energy: -426.895864 where: bonds (distance) C4'-P energy: -131.911 bonds (distance) P-C4' energy: -122.513 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -73.440 tors. eta vs tors. theta energy: 1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -859.852748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.852748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.852748 (E_RNA) where: Base-Base interactions energy: -448.240 where: short stacking energy: -255.423 Base-Backbone interact. energy: -0.129 local terms energy: -411.484305 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -126.754 flat angles C4'-P-C4' energy: -107.240 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -0.780 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: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2449.775209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.775209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.775209 (E_RNA) where: Base-Base interactions energy: -1672.286 where: short stacking energy: -751.857 Base-Backbone interact. energy: -0.535 local terms energy: -776.954502 where: bonds (distance) C4'-P energy: -154.455 bonds (distance) P-C4' energy: -145.333 flat angles C4'-P-C4' energy: -168.391 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -202.874 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: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2326.283230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.283230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.283230 (E_RNA) where: Base-Base interactions energy: -1544.226 where: short stacking energy: -676.341 Base-Backbone interact. energy: -2.787 local terms energy: -779.269948 where: bonds (distance) C4'-P energy: -160.588 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -163.363 flat angles P-C4'-P energy: -110.787 tors. eta vs tors. theta energy: -197.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2107.016116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.016116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.016116 (E_RNA) where: Base-Base interactions energy: -1403.337 where: short stacking energy: -625.836 Base-Backbone interact. energy: -3.896 local terms energy: -699.782868 where: bonds (distance) C4'-P energy: -145.424 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -157.797 flat angles P-C4'-P energy: -120.834 tors. eta vs tors. theta energy: -145.335 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: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1876.424730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.424730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.424730 (E_RNA) where: Base-Base interactions energy: -1215.190 where: short stacking energy: -579.584 Base-Backbone interact. energy: -5.025 local terms energy: -656.210287 where: bonds (distance) C4'-P energy: -148.131 bonds (distance) P-C4' energy: -135.069 flat angles C4'-P-C4' energy: -157.914 flat angles P-C4'-P energy: -95.231 tors. eta vs tors. theta energy: -119.866 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: 50 Temperature: 1.100000 Total energy: -1891.218471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.218471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.218471 (E_RNA) where: Base-Base interactions energy: -1191.174 where: short stacking energy: -567.853 Base-Backbone interact. energy: -0.111 local terms energy: -699.933245 where: bonds (distance) C4'-P energy: -135.158 bonds (distance) P-C4' energy: -150.369 flat angles C4'-P-C4' energy: -162.959 flat angles P-C4'-P energy: -93.005 tors. eta vs tors. theta energy: -158.443 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: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1695.342708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.342708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.342708 (E_RNA) where: Base-Base interactions energy: -1109.982 where: short stacking energy: -479.913 Base-Backbone interact. energy: 0.510 local terms energy: -585.870346 where: bonds (distance) C4'-P energy: -127.193 bonds (distance) P-C4' energy: -142.054 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -93.503 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: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1460.459457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.459457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.459457 (E_RNA) where: Base-Base interactions energy: -911.667 where: short stacking energy: -412.992 Base-Backbone interact. energy: 0.938 local terms energy: -549.730506 where: bonds (distance) C4'-P energy: -128.431 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -115.918 flat angles P-C4'-P energy: -82.484 tors. eta vs tors. theta energy: -81.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1341.906325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.906325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.906325 (E_RNA) where: Base-Base interactions energy: -815.260 where: short stacking energy: -370.850 Base-Backbone interact. energy: -2.778 local terms energy: -523.868355 where: bonds (distance) C4'-P energy: -117.235 bonds (distance) P-C4' energy: -148.372 flat angles C4'-P-C4' energy: -124.039 flat angles P-C4'-P energy: -70.981 tors. eta vs tors. theta energy: -63.241 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: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -963.538988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.538988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.538988 (E_RNA) where: Base-Base interactions energy: -464.767 where: short stacking energy: -291.112 Base-Backbone interact. energy: 3.343 local terms energy: -502.114994 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -156.041 flat angles C4'-P-C4' energy: -125.417 flat angles P-C4'-P energy: -62.893 tors. eta vs tors. theta energy: -16.495 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: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -831.981702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.981702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.981702 (E_RNA) where: Base-Base interactions energy: -423.376 where: short stacking energy: -223.598 Base-Backbone interact. energy: 0.092 local terms energy: -408.698346 where: bonds (distance) C4'-P energy: -113.850 bonds (distance) P-C4' energy: -117.828 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2482.599501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.599501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.599501 (E_RNA) where: Base-Base interactions energy: -1684.786 where: short stacking energy: -708.246 Base-Backbone interact. energy: 2.136 local terms energy: -799.949573 where: bonds (distance) C4'-P energy: -152.830 bonds (distance) P-C4' energy: -162.865 flat angles C4'-P-C4' energy: -158.389 flat angles P-C4'-P energy: -124.027 tors. eta vs tors. theta energy: -201.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2326.645075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.645075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.645075 (E_RNA) where: Base-Base interactions energy: -1572.530 where: short stacking energy: -652.880 Base-Backbone interact. energy: -5.342 local terms energy: -748.773480 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -149.252 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -199.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2191.864251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.864251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.864251 (E_RNA) where: Base-Base interactions energy: -1465.580 where: short stacking energy: -678.359 Base-Backbone interact. energy: -2.037 local terms energy: -724.247751 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -136.789 flat angles C4'-P-C4' energy: -159.231 flat angles P-C4'-P energy: -110.125 tors. eta vs tors. theta energy: -169.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1862.761691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.761691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.761691 (E_RNA) where: Base-Base interactions energy: -1167.815 where: short stacking energy: -529.674 Base-Backbone interact. energy: -5.327 local terms energy: -689.619735 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -139.879 flat angles C4'-P-C4' energy: -161.746 flat angles P-C4'-P energy: -104.472 tors. eta vs tors. theta energy: -138.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1907.307655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.307655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.307655 (E_RNA) where: Base-Base interactions energy: -1256.326 where: short stacking energy: -602.106 Base-Backbone interact. energy: 0.262 local terms energy: -651.243768 where: bonds (distance) C4'-P energy: -116.301 bonds (distance) P-C4' energy: -135.912 flat angles C4'-P-C4' energy: -166.952 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -153.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1716.785996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.785996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.785996 (E_RNA) where: Base-Base interactions energy: -1094.228 where: short stacking energy: -515.027 Base-Backbone interact. energy: -1.703 local terms energy: -620.855369 where: bonds (distance) C4'-P energy: -143.726 bonds (distance) P-C4' energy: -139.616 flat angles C4'-P-C4' energy: -141.934 flat angles P-C4'-P energy: -83.344 tors. eta vs tors. theta energy: -112.235 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: 51 Temperature: 1.200000 Total energy: -1437.103209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.103209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.103209 (E_RNA) where: Base-Base interactions energy: -908.019 where: short stacking energy: -433.991 Base-Backbone interact. energy: -3.047 local terms energy: -526.037227 where: bonds (distance) C4'-P energy: -119.101 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -120.811 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -85.694 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: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1313.812181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.812181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.812181 (E_RNA) where: Base-Base interactions energy: -804.197 where: short stacking energy: -386.457 Base-Backbone interact. energy: 0.439 local terms energy: -510.054711 where: bonds (distance) C4'-P energy: -144.374 bonds (distance) P-C4' energy: -129.581 flat angles C4'-P-C4' energy: -121.320 flat angles P-C4'-P energy: -54.808 tors. eta vs tors. theta energy: -59.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -858.615354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.615354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.615354 (E_RNA) where: Base-Base interactions energy: -432.559 where: short stacking energy: -259.558 Base-Backbone interact. energy: 7.231 local terms energy: -433.287380 where: bonds (distance) C4'-P energy: -144.752 bonds (distance) P-C4' energy: -95.757 flat angles C4'-P-C4' energy: -124.233 flat angles P-C4'-P energy: -65.816 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -900.514943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.514943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.514943 (E_RNA) where: Base-Base interactions energy: -450.019 where: short stacking energy: -264.323 Base-Backbone interact. energy: 0.365 local terms energy: -450.860915 where: bonds (distance) C4'-P energy: -124.544 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -99.965 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -21.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2500.929363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.929363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.929363 (E_RNA) where: Base-Base interactions energy: -1685.675 where: short stacking energy: -752.952 Base-Backbone interact. energy: -4.507 local terms energy: -810.746930 where: bonds (distance) C4'-P energy: -153.485 bonds (distance) P-C4' energy: -161.125 flat angles C4'-P-C4' energy: -170.599 flat angles P-C4'-P energy: -120.167 tors. eta vs tors. theta energy: -205.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2321.978316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.978316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.978316 (E_RNA) where: Base-Base interactions energy: -1584.511 where: short stacking energy: -663.827 Base-Backbone interact. energy: -6.672 local terms energy: -730.795450 where: bonds (distance) C4'-P energy: -145.883 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -164.845 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -179.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2218.808048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.808048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.808048 (E_RNA) where: Base-Base interactions energy: -1484.956 where: short stacking energy: -663.733 Base-Backbone interact. energy: -0.933 local terms energy: -732.918851 where: bonds (distance) C4'-P energy: -135.578 bonds (distance) P-C4' energy: -151.813 flat angles C4'-P-C4' energy: -165.574 flat angles P-C4'-P energy: -108.978 tors. eta vs tors. theta energy: -170.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1863.432890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.432890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.432890 (E_RNA) where: Base-Base interactions energy: -1222.234 where: short stacking energy: -568.937 Base-Backbone interact. energy: 5.616 local terms energy: -646.814536 where: bonds (distance) C4'-P energy: -120.113 bonds (distance) P-C4' energy: -153.677 flat angles C4'-P-C4' energy: -144.127 flat angles P-C4'-P energy: -95.760 tors. eta vs tors. theta energy: -133.138 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: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1891.194604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.194604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.194604 (E_RNA) where: Base-Base interactions energy: -1265.631 where: short stacking energy: -585.355 Base-Backbone interact. energy: 2.590 local terms energy: -628.153334 where: bonds (distance) C4'-P energy: -114.160 bonds (distance) P-C4' energy: -148.429 flat angles C4'-P-C4' energy: -134.218 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -143.806 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: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1664.899102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.899102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.899102 (E_RNA) where: Base-Base interactions energy: -1053.028 where: short stacking energy: -493.013 Base-Backbone interact. energy: -2.794 local terms energy: -609.076808 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -147.921 flat angles C4'-P-C4' energy: -146.410 flat angles P-C4'-P energy: -82.045 tors. eta vs tors. theta energy: -113.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1476.947105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.947105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.947105 (E_RNA) where: Base-Base interactions energy: -900.781 where: short stacking energy: -410.525 Base-Backbone interact. energy: 2.908 local terms energy: -579.074725 where: bonds (distance) C4'-P energy: -116.444 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -138.830 flat angles P-C4'-P energy: -92.831 tors. eta vs tors. theta energy: -94.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1294.945513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.945513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.945513 (E_RNA) where: Base-Base interactions energy: -793.720 where: short stacking energy: -362.572 Base-Backbone interact. energy: 0.826 local terms energy: -502.051498 where: bonds (distance) C4'-P energy: -131.705 bonds (distance) P-C4' energy: -125.905 flat angles C4'-P-C4' energy: -114.085 flat angles P-C4'-P energy: -90.478 tors. eta vs tors. theta energy: -39.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -849.599341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.599341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.599341 (E_RNA) where: Base-Base interactions energy: -398.493 where: short stacking energy: -265.796 Base-Backbone interact. energy: -0.189 local terms energy: -450.917744 where: bonds (distance) C4'-P energy: -109.717 bonds (distance) P-C4' energy: -149.794 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -71.024 tors. eta vs tors. theta energy: -28.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -825.274993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.274993 (E_RNA) where: Base-Base interactions energy: -433.237 where: short stacking energy: -247.791 Base-Backbone interact. energy: 15.653 local terms energy: -407.690635 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -119.780 flat angles C4'-P-C4' energy: -108.863 flat angles P-C4'-P energy: -68.858 tors. eta vs tors. theta energy: -6.140 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: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2519.688873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.688873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.688873 (E_RNA) where: Base-Base interactions energy: -1724.376 where: short stacking energy: -724.704 Base-Backbone interact. energy: -3.861 local terms energy: -791.452586 where: bonds (distance) C4'-P energy: -155.490 bonds (distance) P-C4' energy: -157.944 flat angles C4'-P-C4' energy: -170.728 flat angles P-C4'-P energy: -115.722 tors. eta vs tors. theta energy: -191.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2325.624949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.624949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.624949 (E_RNA) where: Base-Base interactions energy: -1567.238 where: short stacking energy: -680.819 Base-Backbone interact. energy: -5.194 local terms energy: -753.192166 where: bonds (distance) C4'-P energy: -140.847 bonds (distance) P-C4' energy: -149.216 flat angles C4'-P-C4' energy: -165.953 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -194.503 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: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2270.399800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.399800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.399800 (E_RNA) where: Base-Base interactions energy: -1522.402 where: short stacking energy: -722.360 Base-Backbone interact. energy: -3.895 local terms energy: -744.103219 where: bonds (distance) C4'-P energy: -151.157 bonds (distance) P-C4' energy: -146.552 flat angles C4'-P-C4' energy: -152.073 flat angles P-C4'-P energy: -96.986 tors. eta vs tors. theta energy: -197.334 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: 53 Temperature: 1.050000 Total energy: -1929.861892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.861892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.861892 (E_RNA) where: Base-Base interactions energy: -1248.673 where: short stacking energy: -598.046 Base-Backbone interact. energy: 0.937 local terms energy: -682.125291 where: bonds (distance) C4'-P energy: -149.752 bonds (distance) P-C4' energy: -140.240 flat angles C4'-P-C4' energy: -158.995 flat angles P-C4'-P energy: -92.231 tors. eta vs tors. theta energy: -140.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1805.474945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.474945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.474945 (E_RNA) where: Base-Base interactions energy: -1166.009 where: short stacking energy: -545.363 Base-Backbone interact. energy: -0.948 local terms energy: -638.518060 where: bonds (distance) C4'-P energy: -142.725 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -131.039 flat angles P-C4'-P energy: -99.347 tors. eta vs tors. theta energy: -128.420 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: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1589.076935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.076935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.076935 (E_RNA) where: Base-Base interactions energy: -1012.202 where: short stacking energy: -516.148 Base-Backbone interact. energy: 3.114 local terms energy: -579.988938 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -138.910 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -99.934 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: 53 Temperature: 1.200000 Total energy: -1452.230588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.230588 (E_RNA) where: Base-Base interactions energy: -890.261 where: short stacking energy: -409.607 Base-Backbone interact. energy: 4.028 local terms energy: -565.997720 where: bonds (distance) C4'-P energy: -116.071 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -140.706 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -76.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1259.966839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.966839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.966839 (E_RNA) where: Base-Base interactions energy: -753.732 where: short stacking energy: -383.107 Base-Backbone interact. energy: -3.238 local terms energy: -502.996612 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -144.292 flat angles C4'-P-C4' energy: -116.344 flat angles P-C4'-P energy: -59.995 tors. eta vs tors. theta energy: -65.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -842.200932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.200932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.200932 (E_RNA) where: Base-Base interactions energy: -394.057 where: short stacking energy: -249.931 Base-Backbone interact. energy: -2.617 local terms energy: -445.526911 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -132.048 flat angles C4'-P-C4' energy: -112.149 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -839.433596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.433596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.433596 (E_RNA) where: Base-Base interactions energy: -432.683 where: short stacking energy: -257.714 Base-Backbone interact. energy: -3.188 local terms energy: -403.562559 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -140.957 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: -18.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2484.535522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.535522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.535522 (E_RNA) where: Base-Base interactions energy: -1699.983 where: short stacking energy: -750.728 Base-Backbone interact. energy: -3.411 local terms energy: -781.141529 where: bonds (distance) C4'-P energy: -142.740 bonds (distance) P-C4' energy: -148.081 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -122.110 tors. eta vs tors. theta energy: -197.494 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2322.883693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.883693 (E_RNA) where: Base-Base interactions energy: -1577.931 where: short stacking energy: -680.179 Base-Backbone interact. energy: -3.050 local terms energy: -741.902071 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -155.889 flat angles C4'-P-C4' energy: -155.244 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -189.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2265.196299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.196299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.196299 (E_RNA) where: Base-Base interactions energy: -1498.421 where: short stacking energy: -687.111 Base-Backbone interact. energy: -4.227 local terms energy: -762.549119 where: bonds (distance) C4'-P energy: -158.473 bonds (distance) P-C4' energy: -145.300 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -105.659 tors. eta vs tors. theta energy: -193.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1892.355422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.355422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.355422 (E_RNA) where: Base-Base interactions energy: -1200.095 where: short stacking energy: -560.874 Base-Backbone interact. energy: -3.865 local terms energy: -688.395508 where: bonds (distance) C4'-P energy: -139.925 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -150.152 flat angles P-C4'-P energy: -106.956 tors. eta vs tors. theta energy: -140.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1855.588022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.588022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.588022 (E_RNA) where: Base-Base interactions energy: -1209.334 where: short stacking energy: -543.516 Base-Backbone interact. energy: 0.795 local terms energy: -647.049860 where: bonds (distance) C4'-P energy: -139.929 bonds (distance) P-C4' energy: -141.072 flat angles C4'-P-C4' energy: -145.195 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -119.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1603.923180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.923180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.923180 (E_RNA) where: Base-Base interactions energy: -1014.029 where: short stacking energy: -448.015 Base-Backbone interact. energy: -2.454 local terms energy: -587.440684 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -120.932 flat angles C4'-P-C4' energy: -119.148 flat angles P-C4'-P energy: -106.477 tors. eta vs tors. theta energy: -112.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1316.955634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.955634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.955634 (E_RNA) where: Base-Base interactions energy: -798.389 where: short stacking energy: -404.039 Base-Backbone interact. energy: 0.190 local terms energy: -518.756574 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -134.538 flat angles C4'-P-C4' energy: -129.361 flat angles P-C4'-P energy: -64.920 tors. eta vs tors. theta energy: -66.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1308.308401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.308401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.308401 (E_RNA) where: Base-Base interactions energy: -785.072 where: short stacking energy: -382.074 Base-Backbone interact. energy: 1.656 local terms energy: -524.892469 where: bonds (distance) C4'-P energy: -137.825 bonds (distance) P-C4' energy: -124.894 flat angles C4'-P-C4' energy: -119.288 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -68.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -773.665984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.665984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.665984 (E_RNA) where: Base-Base interactions energy: -368.718 where: short stacking energy: -237.600 Base-Backbone interact. energy: -0.102 local terms energy: -404.845723 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -107.213 flat angles C4'-P-C4' energy: -125.769 flat angles P-C4'-P energy: -73.304 tors. eta vs tors. theta energy: 11.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -837.143013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.143013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.143013 (E_RNA) where: Base-Base interactions energy: -417.233 where: short stacking energy: -236.390 Base-Backbone interact. energy: 2.363 local terms energy: -422.272868 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -119.124 flat angles P-C4'-P energy: -26.411 tors. eta vs tors. theta energy: -12.203 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: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2508.037581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.037581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.037581 (E_RNA) where: Base-Base interactions energy: -1702.587 where: short stacking energy: -743.925 Base-Backbone interact. energy: 0.134 local terms energy: -805.584574 where: bonds (distance) C4'-P energy: -150.410 bonds (distance) P-C4' energy: -160.839 flat angles C4'-P-C4' energy: -170.941 flat angles P-C4'-P energy: -126.237 tors. eta vs tors. theta energy: -197.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2350.378096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.378096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.378096 (E_RNA) where: Base-Base interactions energy: -1594.039 where: short stacking energy: -708.604 Base-Backbone interact. energy: -4.250 local terms energy: -752.089628 where: bonds (distance) C4'-P energy: -144.884 bonds (distance) P-C4' energy: -153.085 flat angles C4'-P-C4' energy: -158.677 flat angles P-C4'-P energy: -104.138 tors. eta vs tors. theta energy: -191.306 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: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2267.811517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.811517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.811517 (E_RNA) where: Base-Base interactions energy: -1538.234 where: short stacking energy: -684.064 Base-Backbone interact. energy: 2.088 local terms energy: -731.665672 where: bonds (distance) C4'-P energy: -140.175 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -167.222 flat angles P-C4'-P energy: -105.291 tors. eta vs tors. theta energy: -178.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1964.413382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.413382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.413382 (E_RNA) where: Base-Base interactions energy: -1279.046 where: short stacking energy: -576.916 Base-Backbone interact. energy: 1.337 local terms energy: -686.704209 where: bonds (distance) C4'-P energy: -142.797 bonds (distance) P-C4' energy: -153.195 flat angles C4'-P-C4' energy: -141.363 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -154.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1863.498429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.498429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.498429 (E_RNA) where: Base-Base interactions energy: -1164.248 where: short stacking energy: -563.579 Base-Backbone interact. energy: -1.163 local terms energy: -698.087773 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -147.083 flat angles C4'-P-C4' energy: -162.098 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -150.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1710.835401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.835401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.835401 (E_RNA) where: Base-Base interactions energy: -1113.002 where: short stacking energy: -506.305 Base-Backbone interact. energy: 3.098 local terms energy: -600.931663 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -147.461 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -119.861 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: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1361.347052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.347052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.347052 (E_RNA) where: Base-Base interactions energy: -826.981 where: short stacking energy: -416.314 Base-Backbone interact. energy: -1.986 local terms energy: -532.380066 where: bonds (distance) C4'-P energy: -107.206 bonds (distance) P-C4' energy: -119.175 flat angles C4'-P-C4' energy: -144.638 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -77.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1290.457017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.457017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.457017 (E_RNA) where: Base-Base interactions energy: -783.609 where: short stacking energy: -383.752 Base-Backbone interact. energy: -2.418 local terms energy: -504.430492 where: bonds (distance) C4'-P energy: -88.834 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -127.266 flat angles P-C4'-P energy: -76.888 tors. eta vs tors. theta energy: -65.776 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: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -747.737520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.737520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.737520 (E_RNA) where: Base-Base interactions energy: -318.418 where: short stacking energy: -214.030 Base-Backbone interact. energy: -1.414 local terms energy: -427.905512 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -144.596 flat angles C4'-P-C4' energy: -99.283 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: 4.857 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: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -888.947934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.947934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.947934 (E_RNA) where: Base-Base interactions energy: -482.474 where: short stacking energy: -280.475 Base-Backbone interact. energy: 2.963 local terms energy: -409.437093 where: bonds (distance) C4'-P energy: -111.077 bonds (distance) P-C4' energy: -116.668 flat angles C4'-P-C4' energy: -103.549 flat angles P-C4'-P energy: -58.469 tors. eta vs tors. theta energy: -19.675 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: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2538.785993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.785993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.785993 (E_RNA) where: Base-Base interactions energy: -1720.888 where: short stacking energy: -738.511 Base-Backbone interact. energy: 0.773 local terms energy: -818.670801 where: bonds (distance) C4'-P energy: -148.833 bonds (distance) P-C4' energy: -165.793 flat angles C4'-P-C4' energy: -174.162 flat angles P-C4'-P energy: -122.311 tors. eta vs tors. theta energy: -207.573 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2314.433828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.433828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.433828 (E_RNA) where: Base-Base interactions energy: -1548.812 where: short stacking energy: -667.866 Base-Backbone interact. energy: -0.355 local terms energy: -765.266151 where: bonds (distance) C4'-P energy: -150.109 bonds (distance) P-C4' energy: -154.071 flat angles C4'-P-C4' energy: -169.730 flat angles P-C4'-P energy: -114.233 tors. eta vs tors. theta energy: -177.123 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: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2321.236551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.236551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.236551 (E_RNA) where: Base-Base interactions energy: -1573.724 where: short stacking energy: -698.996 Base-Backbone interact. energy: -0.319 local terms energy: -747.193408 where: bonds (distance) C4'-P energy: -146.802 bonds (distance) P-C4' energy: -138.766 flat angles C4'-P-C4' energy: -165.502 flat angles P-C4'-P energy: -106.427 tors. eta vs tors. theta energy: -189.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1950.789763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.789763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.789763 (E_RNA) where: Base-Base interactions energy: -1259.082 where: short stacking energy: -574.890 Base-Backbone interact. energy: -4.753 local terms energy: -686.954864 where: bonds (distance) C4'-P energy: -142.087 bonds (distance) P-C4' energy: -138.629 flat angles C4'-P-C4' energy: -164.708 flat angles P-C4'-P energy: -101.520 tors. eta vs tors. theta energy: -140.011 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1871.255445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.255445 (E_RNA) where: Base-Base interactions energy: -1200.714 where: short stacking energy: -565.215 Base-Backbone interact. energy: -1.685 local terms energy: -668.856651 where: bonds (distance) C4'-P energy: -131.574 bonds (distance) P-C4' energy: -148.768 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -136.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1715.186279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.186279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.186279 (E_RNA) where: Base-Base interactions energy: -1134.967 where: short stacking energy: -513.762 Base-Backbone interact. energy: -4.372 local terms energy: -575.846775 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -117.759 flat angles C4'-P-C4' energy: -129.556 flat angles P-C4'-P energy: -82.970 tors. eta vs tors. theta energy: -114.680 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: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1354.936686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.936686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.936686 (E_RNA) where: Base-Base interactions energy: -810.813 where: short stacking energy: -401.706 Base-Backbone interact. energy: -0.618 local terms energy: -543.506146 where: bonds (distance) C4'-P energy: -142.958 bonds (distance) P-C4' energy: -131.743 flat angles C4'-P-C4' energy: -121.882 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -86.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1335.719636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.719636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.719636 (E_RNA) where: Base-Base interactions energy: -817.994 where: short stacking energy: -372.110 Base-Backbone interact. energy: -1.699 local terms energy: -516.025647 where: bonds (distance) C4'-P energy: -136.833 bonds (distance) P-C4' energy: -138.896 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: -54.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -923.446304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.446304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.446304 (E_RNA) where: Base-Base interactions energy: -471.148 where: short stacking energy: -277.911 Base-Backbone interact. energy: -2.050 local terms energy: -450.248007 where: bonds (distance) C4'-P energy: -106.827 bonds (distance) P-C4' energy: -132.820 flat angles C4'-P-C4' energy: -105.518 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -32.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -745.804870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.804870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.804870 (E_RNA) where: Base-Base interactions energy: -338.576 where: short stacking energy: -216.196 Base-Backbone interact. energy: -0.430 local terms energy: -406.798992 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -132.860 flat angles C4'-P-C4' energy: -110.152 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: 22.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2481.082881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.082881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.082881 (E_RNA) where: Base-Base interactions energy: -1689.367 where: short stacking energy: -738.146 Base-Backbone interact. energy: 2.118 local terms energy: -793.834145 where: bonds (distance) C4'-P energy: -149.691 bonds (distance) P-C4' energy: -155.465 flat angles C4'-P-C4' energy: -180.525 flat angles P-C4'-P energy: -114.120 tors. eta vs tors. theta energy: -194.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2309.286900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.286900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.286900 (E_RNA) where: Base-Base interactions energy: -1537.069 where: short stacking energy: -695.483 Base-Backbone interact. energy: -4.658 local terms energy: -767.560122 where: bonds (distance) C4'-P energy: -132.542 bonds (distance) P-C4' energy: -154.602 flat angles C4'-P-C4' energy: -178.097 flat angles P-C4'-P energy: -110.831 tors. eta vs tors. theta energy: -191.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2313.391375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.391375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.391375 (E_RNA) where: Base-Base interactions energy: -1576.190 where: short stacking energy: -658.417 Base-Backbone interact. energy: -4.652 local terms energy: -732.549486 where: bonds (distance) C4'-P energy: -140.886 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -162.012 flat angles P-C4'-P energy: -100.768 tors. eta vs tors. theta energy: -183.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2013.317992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.317992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.317992 (E_RNA) where: Base-Base interactions energy: -1304.214 where: short stacking energy: -605.032 Base-Backbone interact. energy: 1.687 local terms energy: -710.790648 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -161.508 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: -168.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1847.484455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.484455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.484455 (E_RNA) where: Base-Base interactions energy: -1227.204 where: short stacking energy: -545.858 Base-Backbone interact. energy: -1.328 local terms energy: -618.952688 where: bonds (distance) C4'-P energy: -120.480 bonds (distance) P-C4' energy: -145.380 flat angles C4'-P-C4' energy: -129.478 flat angles P-C4'-P energy: -109.934 tors. eta vs tors. theta energy: -113.680 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: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1699.748214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.748214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.748214 (E_RNA) where: Base-Base interactions energy: -1113.135 where: short stacking energy: -495.770 Base-Backbone interact. energy: -1.277 local terms energy: -585.336927 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -130.507 flat angles C4'-P-C4' energy: -141.614 flat angles P-C4'-P energy: -81.935 tors. eta vs tors. theta energy: -106.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1383.164082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.164082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.164082 (E_RNA) where: Base-Base interactions energy: -814.825 where: short stacking energy: -424.415 Base-Backbone interact. energy: -1.284 local terms energy: -567.054476 where: bonds (distance) C4'-P energy: -129.486 bonds (distance) P-C4' energy: -139.854 flat angles C4'-P-C4' energy: -133.302 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -93.381 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: 57 Temperature: 1.250000 Total energy: -1286.276515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.276515 (E_RNA) where: Base-Base interactions energy: -766.635 where: short stacking energy: -377.981 Base-Backbone interact. energy: 2.233 local terms energy: -521.873864 where: bonds (distance) C4'-P energy: -136.516 bonds (distance) P-C4' energy: -129.766 flat angles C4'-P-C4' energy: -121.833 flat angles P-C4'-P energy: -80.674 tors. eta vs tors. theta energy: -53.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -931.396189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.396189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.396189 (E_RNA) where: Base-Base interactions energy: -495.560 where: short stacking energy: -268.317 Base-Backbone interact. energy: 2.315 local terms energy: -438.151502 where: bonds (distance) C4'-P energy: -120.235 bonds (distance) P-C4' energy: -143.967 flat angles C4'-P-C4' energy: -103.231 flat angles P-C4'-P energy: -68.939 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -698.008675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.008675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.008675 (E_RNA) where: Base-Base interactions energy: -305.271 where: short stacking energy: -185.076 Base-Backbone interact. energy: 6.308 local terms energy: -399.045751 where: bonds (distance) C4'-P energy: -145.400 bonds (distance) P-C4' energy: -127.220 flat angles C4'-P-C4' energy: -96.447 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: 15.843 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: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2524.725306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.725306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.725306 (E_RNA) where: Base-Base interactions energy: -1704.646 where: short stacking energy: -727.396 Base-Backbone interact. energy: -1.702 local terms energy: -818.377707 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -164.737 flat angles C4'-P-C4' energy: -176.719 flat angles P-C4'-P energy: -113.968 tors. eta vs tors. theta energy: -203.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2303.128440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.128440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.128440 (E_RNA) where: Base-Base interactions energy: -1540.275 where: short stacking energy: -699.075 Base-Backbone interact. energy: 4.557 local terms energy: -767.410323 where: bonds (distance) C4'-P energy: -147.805 bonds (distance) P-C4' energy: -157.136 flat angles C4'-P-C4' energy: -169.486 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -198.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2323.508286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.508286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.508286 (E_RNA) where: Base-Base interactions energy: -1570.869 where: short stacking energy: -695.299 Base-Backbone interact. energy: 2.837 local terms energy: -755.476017 where: bonds (distance) C4'-P energy: -146.650 bonds (distance) P-C4' energy: -151.568 flat angles C4'-P-C4' energy: -160.736 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -190.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2026.636123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.636123 (E_RNA) where: Base-Base interactions energy: -1306.033 where: short stacking energy: -584.963 Base-Backbone interact. energy: -1.293 local terms energy: -719.309330 where: bonds (distance) C4'-P energy: -138.560 bonds (distance) P-C4' energy: -146.941 flat angles C4'-P-C4' energy: -166.159 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -159.441 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: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1892.925921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.925921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.925921 (E_RNA) where: Base-Base interactions energy: -1240.893 where: short stacking energy: -563.020 Base-Backbone interact. energy: -1.393 local terms energy: -650.639926 where: bonds (distance) C4'-P energy: -133.722 bonds (distance) P-C4' energy: -142.141 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -101.041 tors. eta vs tors. theta energy: -125.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1745.283113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.283113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.283113 (E_RNA) where: Base-Base interactions energy: -1138.667 where: short stacking energy: -513.918 Base-Backbone interact. energy: 3.323 local terms energy: -609.938967 where: bonds (distance) C4'-P energy: -120.423 bonds (distance) P-C4' energy: -129.926 flat angles C4'-P-C4' energy: -137.353 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -132.784 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: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1408.458064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.458064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.458064 (E_RNA) where: Base-Base interactions energy: -816.192 where: short stacking energy: -413.918 Base-Backbone interact. energy: -4.145 local terms energy: -588.121935 where: bonds (distance) C4'-P energy: -122.869 bonds (distance) P-C4' energy: -134.325 flat angles C4'-P-C4' energy: -142.681 flat angles P-C4'-P energy: -88.041 tors. eta vs tors. theta energy: -100.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1176.715763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.715763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.715763 (E_RNA) where: Base-Base interactions energy: -712.118 where: short stacking energy: -369.396 Base-Backbone interact. energy: 0.778 local terms energy: -465.375069 where: bonds (distance) C4'-P energy: -120.749 bonds (distance) P-C4' energy: -129.272 flat angles C4'-P-C4' energy: -102.417 flat angles P-C4'-P energy: -83.993 tors. eta vs tors. theta energy: -28.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -980.860454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.860454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.860454 (E_RNA) where: Base-Base interactions energy: -528.817 where: short stacking energy: -301.350 Base-Backbone interact. energy: 1.713 local terms energy: -453.755774 where: bonds (distance) C4'-P energy: -110.749 bonds (distance) P-C4' energy: -123.314 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -30.100 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -729.667810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.667810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.667810 (E_RNA) where: Base-Base interactions energy: -341.529 where: short stacking energy: -221.864 Base-Backbone interact. energy: 1.549 local terms energy: -389.687327 where: bonds (distance) C4'-P energy: -107.708 bonds (distance) P-C4' energy: -122.755 flat angles C4'-P-C4' energy: -95.187 flat angles P-C4'-P energy: -72.727 tors. eta vs tors. theta energy: 8.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2469.062572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.062572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.062572 (E_RNA) where: Base-Base interactions energy: -1707.330 where: short stacking energy: -717.440 Base-Backbone interact. energy: 0.631 local terms energy: -762.363330 where: bonds (distance) C4'-P energy: -133.366 bonds (distance) P-C4' energy: -155.760 flat angles C4'-P-C4' energy: -163.562 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -199.604 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: 59 Temperature: 0.950000 Total energy: -2343.423077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.423077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.423077 (E_RNA) where: Base-Base interactions energy: -1553.154 where: short stacking energy: -686.866 Base-Backbone interact. energy: -2.140 local terms energy: -788.129112 where: bonds (distance) C4'-P energy: -158.635 bonds (distance) P-C4' energy: -160.992 flat angles C4'-P-C4' energy: -177.325 flat angles P-C4'-P energy: -106.740 tors. eta vs tors. theta energy: -184.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2234.239829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.239829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.239829 (E_RNA) where: Base-Base interactions energy: -1520.425 where: short stacking energy: -689.073 Base-Backbone interact. energy: 2.072 local terms energy: -715.886858 where: bonds (distance) C4'-P energy: -129.459 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -106.118 tors. eta vs tors. theta energy: -175.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2024.542773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.542773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.542773 (E_RNA) where: Base-Base interactions energy: -1306.993 where: short stacking energy: -622.179 Base-Backbone interact. energy: -1.390 local terms energy: -716.160050 where: bonds (distance) C4'-P energy: -147.995 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -97.396 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: 5, replica: 7 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1924.544184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.544184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.544184 (E_RNA) where: Base-Base interactions energy: -1266.270 where: short stacking energy: -566.659 Base-Backbone interact. energy: -1.490 local terms energy: -656.784506 where: bonds (distance) C4'-P energy: -134.166 bonds (distance) P-C4' energy: -143.602 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -93.764 tors. eta vs tors. theta energy: -130.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1696.333306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.333306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.333306 (E_RNA) where: Base-Base interactions energy: -1090.067 where: short stacking energy: -514.869 Base-Backbone interact. energy: 0.180 local terms energy: -606.446481 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -138.167 flat angles C4'-P-C4' energy: -148.158 flat angles P-C4'-P energy: -89.345 tors. eta vs tors. theta energy: -116.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1383.139184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.139184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.139184 (E_RNA) where: Base-Base interactions energy: -843.526 where: short stacking energy: -407.653 Base-Backbone interact. energy: -1.854 local terms energy: -537.759945 where: bonds (distance) C4'-P energy: -134.768 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -110.494 flat angles P-C4'-P energy: -79.449 tors. eta vs tors. theta energy: -62.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1187.411725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.411725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.411725 (E_RNA) where: Base-Base interactions energy: -709.725 where: short stacking energy: -326.335 Base-Backbone interact. energy: -0.857 local terms energy: -476.829248 where: bonds (distance) C4'-P energy: -114.789 bonds (distance) P-C4' energy: -142.643 flat angles C4'-P-C4' energy: -116.884 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -30.853 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: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1017.080475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.080475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.080475 (E_RNA) where: Base-Base interactions energy: -564.117 where: short stacking energy: -311.361 Base-Backbone interact. energy: 0.357 local terms energy: -453.320845 where: bonds (distance) C4'-P energy: -107.666 bonds (distance) P-C4' energy: -145.199 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -70.921 tors. eta vs tors. theta energy: -23.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -748.270435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.270435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.270435 (E_RNA) where: Base-Base interactions energy: -316.366 where: short stacking energy: -203.155 Base-Backbone interact. energy: 1.636 local terms energy: -433.539735 where: bonds (distance) C4'-P energy: -116.482 bonds (distance) P-C4' energy: -143.390 flat angles C4'-P-C4' energy: -116.015 flat angles P-C4'-P energy: -67.375 tors. eta vs tors. theta energy: 9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2483.434087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.434087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.434087 (E_RNA) where: Base-Base interactions energy: -1689.151 where: short stacking energy: -722.507 Base-Backbone interact. energy: 0.073 local terms energy: -794.356669 where: bonds (distance) C4'-P energy: -151.609 bonds (distance) P-C4' energy: -165.933 flat angles C4'-P-C4' energy: -173.808 flat angles P-C4'-P energy: -102.934 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: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2371.992704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.992704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.992704 (E_RNA) where: Base-Base interactions energy: -1584.204 where: short stacking energy: -691.940 Base-Backbone interact. energy: -3.972 local terms energy: -783.816864 where: bonds (distance) C4'-P energy: -143.810 bonds (distance) P-C4' energy: -161.793 flat angles C4'-P-C4' energy: -171.858 flat angles P-C4'-P energy: -117.161 tors. eta vs tors. theta energy: -189.195 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: 60 Temperature: 1.000000 Total energy: -2224.255691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.255691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.255691 (E_RNA) where: Base-Base interactions energy: -1503.589 where: short stacking energy: -663.739 Base-Backbone interact. energy: -0.848 local terms energy: -719.818236 where: bonds (distance) C4'-P energy: -133.737 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -104.837 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: 60 Temperature: 1.050000 Total energy: -2020.169161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.169161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.169161 (E_RNA) where: Base-Base interactions energy: -1335.051 where: short stacking energy: -625.404 Base-Backbone interact. energy: -1.060 local terms energy: -684.058066 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -150.663 flat angles P-C4'-P energy: -100.626 tors. eta vs tors. theta energy: -165.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1906.929444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.929444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.929444 (E_RNA) where: Base-Base interactions energy: -1240.485 where: short stacking energy: -548.802 Base-Backbone interact. energy: -3.282 local terms energy: -663.162152 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -141.824 flat angles C4'-P-C4' energy: -160.225 flat angles P-C4'-P energy: -100.793 tors. eta vs tors. theta energy: -122.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1694.678658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.678658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.678658 (E_RNA) where: Base-Base interactions energy: -1082.224 where: short stacking energy: -486.049 Base-Backbone interact. energy: 3.906 local terms energy: -616.361324 where: bonds (distance) C4'-P energy: -137.304 bonds (distance) P-C4' energy: -131.940 flat angles C4'-P-C4' energy: -135.215 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -119.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1393.682879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.682879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.682879 (E_RNA) where: Base-Base interactions energy: -850.101 where: short stacking energy: -445.924 Base-Backbone interact. energy: 5.126 local terms energy: -548.707986 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -133.421 flat angles C4'-P-C4' energy: -140.342 flat angles P-C4'-P energy: -88.178 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: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1282.048473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.048473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.048473 (E_RNA) where: Base-Base interactions energy: -768.787 where: short stacking energy: -399.974 Base-Backbone interact. energy: 5.627 local terms energy: -518.888342 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -136.866 flat angles C4'-P-C4' energy: -115.635 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: -62.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -987.845792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.845792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.845792 (E_RNA) where: Base-Base interactions energy: -551.186 where: short stacking energy: -302.996 Base-Backbone interact. energy: 0.067 local terms energy: -436.726214 where: bonds (distance) C4'-P energy: -103.690 bonds (distance) P-C4' energy: -120.920 flat angles C4'-P-C4' energy: -113.928 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -31.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -735.581111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.581111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.581111 (E_RNA) where: Base-Base interactions energy: -345.056 where: short stacking energy: -208.503 Base-Backbone interact. energy: -2.806 local terms energy: -387.719641 where: bonds (distance) C4'-P energy: -118.834 bonds (distance) P-C4' energy: -118.848 flat angles C4'-P-C4' energy: -105.831 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: 0.548 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: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2508.759450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.759450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.759450 (E_RNA) where: Base-Base interactions energy: -1709.640 where: short stacking energy: -739.244 Base-Backbone interact. energy: -3.055 local terms energy: -796.064580 where: bonds (distance) C4'-P energy: -144.281 bonds (distance) P-C4' energy: -152.197 flat angles C4'-P-C4' energy: -167.102 flat angles P-C4'-P energy: -125.531 tors. eta vs tors. theta energy: -206.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2367.241877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.241877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.241877 (E_RNA) where: Base-Base interactions energy: -1590.402 where: short stacking energy: -688.057 Base-Backbone interact. energy: -5.473 local terms energy: -771.366767 where: bonds (distance) C4'-P energy: -137.683 bonds (distance) P-C4' energy: -157.681 flat angles C4'-P-C4' energy: -172.054 flat angles P-C4'-P energy: -118.043 tors. eta vs tors. theta energy: -185.907 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: 61 Temperature: 1.000000 Total energy: -2239.914316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.914316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.914316 (E_RNA) where: Base-Base interactions energy: -1536.795 where: short stacking energy: -681.265 Base-Backbone interact. energy: -0.224 local terms energy: -702.895913 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -135.541 flat angles C4'-P-C4' energy: -161.284 flat angles P-C4'-P energy: -92.436 tors. eta vs tors. theta energy: -180.061 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: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2047.877339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.877339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.877339 (E_RNA) where: Base-Base interactions energy: -1334.597 where: short stacking energy: -657.256 Base-Backbone interact. energy: -1.262 local terms energy: -712.018577 where: bonds (distance) C4'-P energy: -140.421 bonds (distance) P-C4' energy: -134.155 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -108.442 tors. eta vs tors. theta energy: -183.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1892.045812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.045812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.045812 (E_RNA) where: Base-Base interactions energy: -1246.907 where: short stacking energy: -541.616 Base-Backbone interact. energy: -4.663 local terms energy: -640.476115 where: bonds (distance) C4'-P energy: -117.928 bonds (distance) P-C4' energy: -139.219 flat angles C4'-P-C4' energy: -152.468 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -139.559 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: 61 Temperature: 1.150000 Total energy: -1703.269567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.269567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.269567 (E_RNA) where: Base-Base interactions energy: -1099.749 where: short stacking energy: -510.743 Base-Backbone interact. energy: -1.716 local terms energy: -601.804835 where: bonds (distance) C4'-P energy: -132.446 bonds (distance) P-C4' energy: -132.458 flat angles C4'-P-C4' energy: -126.527 flat angles P-C4'-P energy: -101.989 tors. eta vs tors. theta energy: -108.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1406.463551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.463551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.463551 (E_RNA) where: Base-Base interactions energy: -849.634 where: short stacking energy: -405.833 Base-Backbone interact. energy: 2.592 local terms energy: -559.421664 where: bonds (distance) C4'-P energy: -134.370 bonds (distance) P-C4' energy: -130.093 flat angles C4'-P-C4' energy: -132.100 flat angles P-C4'-P energy: -86.401 tors. eta vs tors. theta energy: -76.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1263.143611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.143611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.143611 (E_RNA) where: Base-Base interactions energy: -756.101 where: short stacking energy: -398.407 Base-Backbone interact. energy: 2.977 local terms energy: -510.018945 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -109.812 flat angles C4'-P-C4' energy: -126.290 flat angles P-C4'-P energy: -82.084 tors. eta vs tors. theta energy: -65.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1000.265750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.265750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.265750 (E_RNA) where: Base-Base interactions energy: -505.244 where: short stacking energy: -259.006 Base-Backbone interact. energy: -3.078 local terms energy: -491.943980 where: bonds (distance) C4'-P energy: -143.806 bonds (distance) P-C4' energy: -133.287 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -15.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -763.078041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.078041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.078041 (E_RNA) where: Base-Base interactions energy: -359.988 where: short stacking energy: -217.199 Base-Backbone interact. energy: -1.024 local terms energy: -402.066240 where: bonds (distance) C4'-P energy: -106.464 bonds (distance) P-C4' energy: -130.673 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: 7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2541.931191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.931191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.931191 (E_RNA) where: Base-Base interactions energy: -1747.251 where: short stacking energy: -736.627 Base-Backbone interact. energy: -1.695 local terms energy: -792.985494 where: bonds (distance) C4'-P energy: -153.094 bonds (distance) P-C4' energy: -147.128 flat angles C4'-P-C4' energy: -169.000 flat angles P-C4'-P energy: -129.676 tors. eta vs tors. theta energy: -194.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2402.060052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.060052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.060052 (E_RNA) where: Base-Base interactions energy: -1617.949 where: short stacking energy: -728.607 Base-Backbone interact. energy: -3.058 local terms energy: -781.053357 where: bonds (distance) C4'-P energy: -148.248 bonds (distance) P-C4' energy: -156.160 flat angles C4'-P-C4' energy: -162.896 flat angles P-C4'-P energy: -117.385 tors. eta vs tors. theta energy: -196.365 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: 62 Temperature: 1.000000 Total energy: -2216.772449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.772449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.772449 (E_RNA) where: Base-Base interactions energy: -1494.689 where: short stacking energy: -647.549 Base-Backbone interact. energy: -2.540 local terms energy: -719.543463 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -90.757 tors. eta vs tors. theta energy: -179.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2018.960222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.960222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.960222 (E_RNA) where: Base-Base interactions energy: -1315.522 where: short stacking energy: -600.072 Base-Backbone interact. energy: -3.524 local terms energy: -699.914070 where: bonds (distance) C4'-P energy: -125.441 bonds (distance) P-C4' energy: -150.192 flat angles C4'-P-C4' energy: -157.185 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -164.049 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: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1963.604887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.604887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.604887 (E_RNA) where: Base-Base interactions energy: -1288.496 where: short stacking energy: -579.362 Base-Backbone interact. energy: -3.750 local terms energy: -671.358728 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -150.134 flat angles C4'-P-C4' energy: -154.387 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -141.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1693.876458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.876458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.876458 (E_RNA) where: Base-Base interactions energy: -1113.031 where: short stacking energy: -521.714 Base-Backbone interact. energy: -2.543 local terms energy: -578.303204 where: bonds (distance) C4'-P energy: -122.010 bonds (distance) P-C4' energy: -136.056 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -58.174 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: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1285.580841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.580841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.580841 (E_RNA) where: Base-Base interactions energy: -760.847 where: short stacking energy: -374.285 Base-Backbone interact. energy: -4.192 local terms energy: -520.541848 where: bonds (distance) C4'-P energy: -133.480 bonds (distance) P-C4' energy: -134.876 flat angles C4'-P-C4' energy: -113.665 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -50.854 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: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1412.900250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.900250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.900250 (E_RNA) where: Base-Base interactions energy: -847.787 where: short stacking energy: -413.712 Base-Backbone interact. energy: 0.328 local terms energy: -565.440656 where: bonds (distance) C4'-P energy: -134.203 bonds (distance) P-C4' energy: -122.482 flat angles C4'-P-C4' energy: -122.396 flat angles P-C4'-P energy: -84.011 tors. eta vs tors. theta energy: -102.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -979.649733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.649733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.649733 (E_RNA) where: Base-Base interactions energy: -527.283 where: short stacking energy: -282.499 Base-Backbone interact. energy: -3.670 local terms energy: -448.696913 where: bonds (distance) C4'-P energy: -107.728 bonds (distance) P-C4' energy: -128.635 flat angles C4'-P-C4' energy: -113.907 flat angles P-C4'-P energy: -74.229 tors. eta vs tors. theta energy: -24.198 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: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -690.140799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.140799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.140799 (E_RNA) where: Base-Base interactions energy: -310.105 where: short stacking energy: -229.281 Base-Backbone interact. energy: 0.876 local terms energy: -380.911460 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -122.370 flat angles C4'-P-C4' energy: -91.578 flat angles P-C4'-P energy: -52.307 tors. eta vs tors. theta energy: 11.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2532.075062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.075062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.075062 (E_RNA) where: Base-Base interactions energy: -1740.975 where: short stacking energy: -731.512 Base-Backbone interact. energy: 0.016 local terms energy: -791.116855 where: bonds (distance) C4'-P energy: -155.460 bonds (distance) P-C4' energy: -156.902 flat angles C4'-P-C4' energy: -162.176 flat angles P-C4'-P energy: -112.475 tors. eta vs tors. theta energy: -204.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2420.065954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.065954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.065954 (E_RNA) where: Base-Base interactions energy: -1656.578 where: short stacking energy: -715.401 Base-Backbone interact. energy: -2.108 local terms energy: -761.380226 where: bonds (distance) C4'-P energy: -136.809 bonds (distance) P-C4' energy: -143.497 flat angles C4'-P-C4' energy: -168.699 flat angles P-C4'-P energy: -108.781 tors. eta vs tors. theta energy: -203.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2192.260354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.260354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.260354 (E_RNA) where: Base-Base interactions energy: -1489.555 where: short stacking energy: -660.097 Base-Backbone interact. energy: -2.911 local terms energy: -699.794332 where: bonds (distance) C4'-P energy: -144.246 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -144.346 flat angles P-C4'-P energy: -89.678 tors. eta vs tors. theta energy: -182.255 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: 63 Temperature: 1.050000 Total energy: -2067.826743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.826743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.826743 (E_RNA) where: Base-Base interactions energy: -1365.505 where: short stacking energy: -647.039 Base-Backbone interact. energy: -2.324 local terms energy: -699.998170 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -135.018 flat angles C4'-P-C4' energy: -164.557 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -184.042 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: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1922.937090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.937090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.937090 (E_RNA) where: Base-Base interactions energy: -1290.047 where: short stacking energy: -534.149 Base-Backbone interact. energy: 0.627 local terms energy: -633.517487 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -105.940 tors. eta vs tors. theta energy: -115.896 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: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1686.173463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.173463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.173463 (E_RNA) where: Base-Base interactions energy: -1107.466 where: short stacking energy: -478.353 Base-Backbone interact. energy: -6.344 local terms energy: -572.363937 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -138.440 flat angles C4'-P-C4' energy: -143.084 flat angles P-C4'-P energy: -87.230 tors. eta vs tors. theta energy: -105.207 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: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1281.189564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.189564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.189564 (E_RNA) where: Base-Base interactions energy: -757.834 where: short stacking energy: -377.651 Base-Backbone interact. energy: -2.092 local terms energy: -521.263734 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -132.900 flat angles C4'-P-C4' energy: -128.787 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -55.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1362.315240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.315240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.315240 (E_RNA) where: Base-Base interactions energy: -850.163 where: short stacking energy: -416.555 Base-Backbone interact. energy: 3.135 local terms energy: -515.287462 where: bonds (distance) C4'-P energy: -112.383 bonds (distance) P-C4' energy: -117.245 flat angles C4'-P-C4' energy: -105.413 flat angles P-C4'-P energy: -74.321 tors. eta vs tors. theta energy: -105.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -972.190164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.190164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.190164 (E_RNA) where: Base-Base interactions energy: -502.873 where: short stacking energy: -288.526 Base-Backbone interact. energy: -2.320 local terms energy: -466.996989 where: bonds (distance) C4'-P energy: -125.244 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -100.110 flat angles P-C4'-P energy: -74.625 tors. eta vs tors. theta energy: -35.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -761.180722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.180722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.180722 (E_RNA) where: Base-Base interactions energy: -354.864 where: short stacking energy: -233.840 Base-Backbone interact. energy: -0.066 local terms energy: -406.250513 where: bonds (distance) C4'-P energy: -119.096 bonds (distance) P-C4' energy: -123.492 flat angles C4'-P-C4' energy: -126.858 flat angles P-C4'-P energy: -60.307 tors. eta vs tors. theta energy: 23.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2530.077297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.077297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.077297 (E_RNA) where: Base-Base interactions energy: -1766.457 where: short stacking energy: -723.994 Base-Backbone interact. energy: 1.404 local terms energy: -765.024422 where: bonds (distance) C4'-P energy: -159.273 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -192.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2402.183387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.183387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.183387 (E_RNA) where: Base-Base interactions energy: -1615.403 where: short stacking energy: -688.261 Base-Backbone interact. energy: -2.029 local terms energy: -784.750886 where: bonds (distance) C4'-P energy: -150.828 bonds (distance) P-C4' energy: -147.999 flat angles C4'-P-C4' energy: -171.883 flat angles P-C4'-P energy: -123.725 tors. eta vs tors. theta energy: -190.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2213.128672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.128672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.128672 (E_RNA) where: Base-Base interactions energy: -1506.204 where: short stacking energy: -632.622 Base-Backbone interact. energy: -0.961 local terms energy: -705.962741 where: bonds (distance) C4'-P energy: -151.446 bonds (distance) P-C4' energy: -128.822 flat angles C4'-P-C4' energy: -161.908 flat angles P-C4'-P energy: -101.157 tors. eta vs tors. theta energy: -162.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2070.358551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.358551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.358551 (E_RNA) where: Base-Base interactions energy: -1348.930 where: short stacking energy: -638.799 Base-Backbone interact. energy: 0.694 local terms energy: -722.122591 where: bonds (distance) C4'-P energy: -150.695 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -148.950 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -177.940 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: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1956.318351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.318351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.318351 (E_RNA) where: Base-Base interactions energy: -1302.909 where: short stacking energy: -517.733 Base-Backbone interact. energy: -1.578 local terms energy: -651.831242 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -145.111 flat angles C4'-P-C4' energy: -152.531 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -117.790 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: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1723.623557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.623557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.623557 (E_RNA) where: Base-Base interactions energy: -1129.831 where: short stacking energy: -497.251 Base-Backbone interact. energy: 2.082 local terms energy: -595.875144 where: bonds (distance) C4'-P energy: -119.989 bonds (distance) P-C4' energy: -137.712 flat angles C4'-P-C4' energy: -137.099 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -98.338 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: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1485.846249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.846249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.846249 (E_RNA) where: Base-Base interactions energy: -913.737 where: short stacking energy: -430.338 Base-Backbone interact. energy: 3.240 local terms energy: -575.348781 where: bonds (distance) C4'-P energy: -129.007 bonds (distance) P-C4' energy: -138.820 flat angles C4'-P-C4' energy: -134.984 flat angles P-C4'-P energy: -82.630 tors. eta vs tors. theta energy: -89.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1275.980659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.980659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.980659 (E_RNA) where: Base-Base interactions energy: -756.271 where: short stacking energy: -372.115 Base-Backbone interact. energy: -2.824 local terms energy: -516.885605 where: bonds (distance) C4'-P energy: -113.878 bonds (distance) P-C4' energy: -133.538 flat angles C4'-P-C4' energy: -126.317 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -65.257 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1017.954800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.954800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.954800 (E_RNA) where: Base-Base interactions energy: -563.899 where: short stacking energy: -321.229 Base-Backbone interact. energy: 1.349 local terms energy: -455.404993 where: bonds (distance) C4'-P energy: -110.638 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -98.527 flat angles P-C4'-P energy: -79.397 tors. eta vs tors. theta energy: -40.368 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: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -751.460820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.460820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.460820 (E_RNA) where: Base-Base interactions energy: -338.229 where: short stacking energy: -204.132 Base-Backbone interact. energy: 3.016 local terms energy: -416.248012 where: bonds (distance) C4'-P energy: -124.818 bonds (distance) P-C4' energy: -116.467 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -82.925 tors. eta vs tors. theta energy: 11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2521.772142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.772142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.772142 (E_RNA) where: Base-Base interactions energy: -1739.195 where: short stacking energy: -702.718 Base-Backbone interact. energy: 2.037 local terms energy: -784.613555 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -143.478 flat angles C4'-P-C4' energy: -167.329 flat angles P-C4'-P energy: -115.172 tors. eta vs tors. theta energy: -199.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2417.555713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.555713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.555713 (E_RNA) where: Base-Base interactions energy: -1641.068 where: short stacking energy: -705.774 Base-Backbone interact. energy: -0.921 local terms energy: -775.566162 where: bonds (distance) C4'-P energy: -149.049 bonds (distance) P-C4' energy: -147.339 flat angles C4'-P-C4' energy: -165.378 flat angles P-C4'-P energy: -126.470 tors. eta vs tors. theta energy: -187.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2196.236029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.236029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.236029 (E_RNA) where: Base-Base interactions energy: -1487.763 where: short stacking energy: -639.654 Base-Backbone interact. energy: -2.450 local terms energy: -706.023721 where: bonds (distance) C4'-P energy: -133.449 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -169.807 flat angles P-C4'-P energy: -103.578 tors. eta vs tors. theta energy: -166.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2035.964346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.964346 (E_RNA) where: Base-Base interactions energy: -1375.761 where: short stacking energy: -580.300 Base-Backbone interact. energy: -1.175 local terms energy: -659.027969 where: bonds (distance) C4'-P energy: -126.862 bonds (distance) P-C4' energy: -145.163 flat angles C4'-P-C4' energy: -157.658 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -137.138 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: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1988.618238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.618238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.618238 (E_RNA) where: Base-Base interactions energy: -1282.035 where: short stacking energy: -572.235 Base-Backbone interact. energy: -3.274 local terms energy: -703.308771 where: bonds (distance) C4'-P energy: -126.536 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -162.333 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -174.510 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: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1659.507874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.507874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.507874 (E_RNA) where: Base-Base interactions energy: -1054.857 where: short stacking energy: -482.119 Base-Backbone interact. energy: 3.918 local terms energy: -608.569215 where: bonds (distance) C4'-P energy: -146.833 bonds (distance) P-C4' energy: -123.698 flat angles C4'-P-C4' energy: -144.024 flat angles P-C4'-P energy: -91.633 tors. eta vs tors. theta energy: -102.380 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: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1593.120867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.120867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.120867 (E_RNA) where: Base-Base interactions energy: -1008.468 where: short stacking energy: -462.597 Base-Backbone interact. energy: -2.731 local terms energy: -581.921401 where: bonds (distance) C4'-P energy: -118.399 bonds (distance) P-C4' energy: -131.267 flat angles C4'-P-C4' energy: -140.721 flat angles P-C4'-P energy: -82.323 tors. eta vs tors. theta energy: -109.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1287.672031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.672031 (E_RNA) where: Base-Base interactions energy: -733.147 where: short stacking energy: -353.274 Base-Backbone interact. energy: 0.736 local terms energy: -555.261162 where: bonds (distance) C4'-P energy: -139.519 bonds (distance) P-C4' energy: -137.003 flat angles C4'-P-C4' energy: -142.935 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -58.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1026.555606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.555606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.555606 (E_RNA) where: Base-Base interactions energy: -581.016 where: short stacking energy: -273.016 Base-Backbone interact. energy: 0.065 local terms energy: -445.603739 where: bonds (distance) C4'-P energy: -136.712 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -114.883 flat angles P-C4'-P energy: -55.630 tors. eta vs tors. theta energy: -11.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -773.468917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.468917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.468917 (E_RNA) where: Base-Base interactions energy: -386.436 where: short stacking energy: -213.563 Base-Backbone interact. energy: -3.127 local terms energy: -383.906484 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -132.441 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: 17.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2537.818345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.818345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.818345 (E_RNA) where: Base-Base interactions energy: -1754.651 where: short stacking energy: -729.966 Base-Backbone interact. energy: -2.515 local terms energy: -780.653092 where: bonds (distance) C4'-P energy: -143.944 bonds (distance) P-C4' energy: -161.860 flat angles C4'-P-C4' energy: -158.660 flat angles P-C4'-P energy: -104.386 tors. eta vs tors. theta energy: -211.803 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: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2405.811617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.811617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.811617 (E_RNA) where: Base-Base interactions energy: -1642.711 where: short stacking energy: -723.469 Base-Backbone interact. energy: -6.040 local terms energy: -757.060866 where: bonds (distance) C4'-P energy: -131.495 bonds (distance) P-C4' energy: -153.222 flat angles C4'-P-C4' energy: -169.343 flat angles P-C4'-P energy: -103.409 tors. eta vs tors. theta energy: -199.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2211.460743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.460743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.460743 (E_RNA) where: Base-Base interactions energy: -1477.784 where: short stacking energy: -643.898 Base-Backbone interact. energy: -5.260 local terms energy: -728.416556 where: bonds (distance) C4'-P energy: -152.422 bonds (distance) P-C4' energy: -128.726 flat angles C4'-P-C4' energy: -162.008 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -172.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2044.497894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.497894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.497894 (E_RNA) where: Base-Base interactions energy: -1384.917 where: short stacking energy: -600.080 Base-Backbone interact. energy: -1.293 local terms energy: -658.288527 where: bonds (distance) C4'-P energy: -146.419 bonds (distance) P-C4' energy: -142.477 flat angles C4'-P-C4' energy: -153.017 flat angles P-C4'-P energy: -86.856 tors. eta vs tors. theta energy: -129.520 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: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1949.979174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.979174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.979174 (E_RNA) where: Base-Base interactions energy: -1260.579 where: short stacking energy: -581.467 Base-Backbone interact. energy: -2.557 local terms energy: -686.843571 where: bonds (distance) C4'-P energy: -132.618 bonds (distance) P-C4' energy: -158.419 flat angles C4'-P-C4' energy: -162.547 flat angles P-C4'-P energy: -90.043 tors. eta vs tors. theta energy: -143.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1745.680674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.680674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.680674 (E_RNA) where: Base-Base interactions energy: -1133.405 where: short stacking energy: -509.184 Base-Backbone interact. energy: -5.668 local terms energy: -606.607013 where: bonds (distance) C4'-P energy: -137.315 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -139.839 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -107.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1444.052550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.052550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.052550 (E_RNA) where: Base-Base interactions energy: -939.866 where: short stacking energy: -458.396 Base-Backbone interact. energy: 1.168 local terms energy: -505.355387 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -137.467 flat angles C4'-P-C4' energy: -120.233 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: -78.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1353.728221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.728221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.728221 (E_RNA) where: Base-Base interactions energy: -829.962 where: short stacking energy: -411.831 Base-Backbone interact. energy: -2.259 local terms energy: -521.506589 where: bonds (distance) C4'-P energy: -103.147 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -139.948 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -66.787 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: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1083.603968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.603968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.603968 (E_RNA) where: Base-Base interactions energy: -604.429 where: short stacking energy: -317.849 Base-Backbone interact. energy: 0.347 local terms energy: -479.522561 where: bonds (distance) C4'-P energy: -132.164 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -109.009 flat angles P-C4'-P energy: -67.802 tors. eta vs tors. theta energy: -45.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -681.748409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.748409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.748409 (E_RNA) where: Base-Base interactions energy: -319.149 where: short stacking energy: -202.217 Base-Backbone interact. energy: -2.734 local terms energy: -359.865550 where: bonds (distance) C4'-P energy: -113.901 bonds (distance) P-C4' energy: -133.695 flat angles C4'-P-C4' energy: -85.381 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: 18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2522.172031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.172031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.172031 (E_RNA) where: Base-Base interactions energy: -1730.969 where: short stacking energy: -700.927 Base-Backbone interact. energy: -5.468 local terms energy: -785.735132 where: bonds (distance) C4'-P energy: -151.607 bonds (distance) P-C4' energy: -158.076 flat angles C4'-P-C4' energy: -160.722 flat angles P-C4'-P energy: -118.140 tors. eta vs tors. theta energy: -197.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2401.869620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.869620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.869620 (E_RNA) where: Base-Base interactions energy: -1597.136 where: short stacking energy: -696.476 Base-Backbone interact. energy: -6.175 local terms energy: -798.559223 where: bonds (distance) C4'-P energy: -160.737 bonds (distance) P-C4' energy: -159.929 flat angles C4'-P-C4' energy: -167.023 flat angles P-C4'-P energy: -103.263 tors. eta vs tors. theta energy: -207.607 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: 67 Temperature: 1.000000 Total energy: -2144.487496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.487496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.487496 (E_RNA) where: Base-Base interactions energy: -1405.777 where: short stacking energy: -620.113 Base-Backbone interact. energy: -5.017 local terms energy: -733.694048 where: bonds (distance) C4'-P energy: -151.716 bonds (distance) P-C4' energy: -154.852 flat angles C4'-P-C4' energy: -164.552 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -167.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2007.314384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.314384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.314384 (E_RNA) where: Base-Base interactions energy: -1334.115 where: short stacking energy: -571.272 Base-Backbone interact. energy: -0.051 local terms energy: -673.147425 where: bonds (distance) C4'-P energy: -149.756 bonds (distance) P-C4' energy: -132.966 flat angles C4'-P-C4' energy: -153.574 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -140.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2004.698914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.698914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.698914 (E_RNA) where: Base-Base interactions energy: -1326.236 where: short stacking energy: -586.443 Base-Backbone interact. energy: 1.561 local terms energy: -680.024004 where: bonds (distance) C4'-P energy: -131.713 bonds (distance) P-C4' energy: -147.288 flat angles C4'-P-C4' energy: -154.039 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -153.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1730.531760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.531760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.531760 (E_RNA) where: Base-Base interactions energy: -1141.338 where: short stacking energy: -498.730 Base-Backbone interact. energy: -0.420 local terms energy: -588.773960 where: bonds (distance) C4'-P energy: -135.573 bonds (distance) P-C4' energy: -131.700 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -102.921 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: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1447.503202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.503202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.503202 (E_RNA) where: Base-Base interactions energy: -897.967 where: short stacking energy: -425.187 Base-Backbone interact. energy: -2.964 local terms energy: -546.571346 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -124.022 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -78.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1331.655078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.655078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.655078 (E_RNA) where: Base-Base interactions energy: -813.621 where: short stacking energy: -380.286 Base-Backbone interact. energy: -3.837 local terms energy: -514.196901 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -132.998 flat angles C4'-P-C4' energy: -126.245 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -66.180 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: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1033.701874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.701874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.701874 (E_RNA) where: Base-Base interactions energy: -533.739 where: short stacking energy: -280.732 Base-Backbone interact. energy: -4.014 local terms energy: -495.949495 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -120.857 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -13.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -741.872614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.872614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.872614 (E_RNA) where: Base-Base interactions energy: -342.516 where: short stacking energy: -208.266 Base-Backbone interact. energy: 7.529 local terms energy: -406.885749 where: bonds (distance) C4'-P energy: -137.063 bonds (distance) P-C4' energy: -122.341 flat angles C4'-P-C4' energy: -100.697 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: 7.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2595.266905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.266905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.266905 (E_RNA) where: Base-Base interactions energy: -1796.468 where: short stacking energy: -744.992 Base-Backbone interact. energy: -5.225 local terms energy: -793.574113 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -170.559 flat angles C4'-P-C4' energy: -181.824 flat angles P-C4'-P energy: -109.035 tors. eta vs tors. theta energy: -191.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2437.046925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.046925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.046925 (E_RNA) where: Base-Base interactions energy: -1613.886 where: short stacking energy: -695.988 Base-Backbone interact. energy: -4.724 local terms energy: -818.436498 where: bonds (distance) C4'-P energy: -158.430 bonds (distance) P-C4' energy: -167.973 flat angles C4'-P-C4' energy: -170.696 flat angles P-C4'-P energy: -119.795 tors. eta vs tors. theta energy: -201.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2157.165531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.165531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.165531 (E_RNA) where: Base-Base interactions energy: -1459.828 where: short stacking energy: -612.287 Base-Backbone interact. energy: -3.792 local terms energy: -693.545628 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -150.828 flat angles C4'-P-C4' energy: -149.750 flat angles P-C4'-P energy: -101.464 tors. eta vs tors. theta energy: -160.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2013.803483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.803483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.803483 (E_RNA) where: Base-Base interactions energy: -1348.327 where: short stacking energy: -593.632 Base-Backbone interact. energy: -1.920 local terms energy: -663.556385 where: bonds (distance) C4'-P energy: -133.727 bonds (distance) P-C4' energy: -141.878 flat angles C4'-P-C4' energy: -140.409 flat angles P-C4'-P energy: -100.183 tors. eta vs tors. theta energy: -147.359 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: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1997.228421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.228421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.228421 (E_RNA) where: Base-Base interactions energy: -1347.630 where: short stacking energy: -606.012 Base-Backbone interact. energy: 2.155 local terms energy: -651.753303 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -129.784 flat angles C4'-P-C4' energy: -140.926 flat angles P-C4'-P energy: -102.423 tors. eta vs tors. theta energy: -161.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1772.332393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.332393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.332393 (E_RNA) where: Base-Base interactions energy: -1149.606 where: short stacking energy: -543.290 Base-Backbone interact. energy: 1.444 local terms energy: -624.170413 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -138.136 flat angles C4'-P-C4' energy: -140.793 flat angles P-C4'-P energy: -100.307 tors. eta vs tors. theta energy: -129.613 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1440.700958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.700958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.700958 (E_RNA) where: Base-Base interactions energy: -898.593 where: short stacking energy: -421.037 Base-Backbone interact. energy: 2.178 local terms energy: -544.286722 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -135.221 flat angles C4'-P-C4' energy: -127.436 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: -72.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1339.279632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.279632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.279632 (E_RNA) where: Base-Base interactions energy: -793.018 where: short stacking energy: -399.353 Base-Backbone interact. energy: -0.049 local terms energy: -546.213146 where: bonds (distance) C4'-P energy: -140.059 bonds (distance) P-C4' energy: -126.399 flat angles C4'-P-C4' energy: -139.252 flat angles P-C4'-P energy: -73.237 tors. eta vs tors. theta energy: -67.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1021.892250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.892250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.892250 (E_RNA) where: Base-Base interactions energy: -572.549 where: short stacking energy: -280.831 Base-Backbone interact. energy: -2.651 local terms energy: -446.692440 where: bonds (distance) C4'-P energy: -113.273 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -109.336 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -19.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -736.107178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.107178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.107178 (E_RNA) where: Base-Base interactions energy: -350.294 where: short stacking energy: -190.579 Base-Backbone interact. energy: 0.915 local terms energy: -386.728205 where: bonds (distance) C4'-P energy: -130.578 bonds (distance) P-C4' energy: -148.910 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -54.125 tors. eta vs tors. theta energy: 19.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2545.456346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.456346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.456346 (E_RNA) where: Base-Base interactions energy: -1746.962 where: short stacking energy: -729.840 Base-Backbone interact. energy: -4.572 local terms energy: -793.922297 where: bonds (distance) C4'-P energy: -158.581 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -120.831 tors. eta vs tors. theta energy: -200.849 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: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2423.244427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.244427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.244427 (E_RNA) where: Base-Base interactions energy: -1639.809 where: short stacking energy: -700.628 Base-Backbone interact. energy: -4.929 local terms energy: -778.506093 where: bonds (distance) C4'-P energy: -157.139 bonds (distance) P-C4' energy: -158.804 flat angles C4'-P-C4' energy: -163.201 flat angles P-C4'-P energy: -105.174 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: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2173.977061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.977061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.977061 (E_RNA) where: Base-Base interactions energy: -1460.606 where: short stacking energy: -640.169 Base-Backbone interact. energy: -1.124 local terms energy: -712.247008 where: bonds (distance) C4'-P energy: -124.898 bonds (distance) P-C4' energy: -149.764 flat angles C4'-P-C4' energy: -167.372 flat angles P-C4'-P energy: -109.542 tors. eta vs tors. theta energy: -160.670 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: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2051.089542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.089542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.089542 (E_RNA) where: Base-Base interactions energy: -1354.095 where: short stacking energy: -614.718 Base-Backbone interact. energy: 1.032 local terms energy: -698.026712 where: bonds (distance) C4'-P energy: -140.764 bonds (distance) P-C4' energy: -150.710 flat angles C4'-P-C4' energy: -156.667 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -155.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1983.718751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.718751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.718751 (E_RNA) where: Base-Base interactions energy: -1291.802 where: short stacking energy: -574.831 Base-Backbone interact. energy: -4.452 local terms energy: -687.465070 where: bonds (distance) C4'-P energy: -136.370 bonds (distance) P-C4' energy: -141.266 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -104.088 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: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1767.629625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.629625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.629625 (E_RNA) where: Base-Base interactions energy: -1140.293 where: short stacking energy: -520.609 Base-Backbone interact. energy: 2.785 local terms energy: -630.121636 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -143.733 flat angles C4'-P-C4' energy: -126.509 flat angles P-C4'-P energy: -93.069 tors. eta vs tors. theta energy: -133.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1482.634785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.634785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.634785 (E_RNA) where: Base-Base interactions energy: -915.886 where: short stacking energy: -429.880 Base-Backbone interact. energy: -1.628 local terms energy: -565.120160 where: bonds (distance) C4'-P energy: -116.936 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -136.543 flat angles P-C4'-P energy: -73.392 tors. eta vs tors. theta energy: -91.049 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: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1282.221498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.221498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.221498 (E_RNA) where: Base-Base interactions energy: -772.864 where: short stacking energy: -371.668 Base-Backbone interact. energy: 6.532 local terms energy: -515.890324 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -126.516 flat angles C4'-P-C4' energy: -147.637 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -47.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -986.380997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.380997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.380997 (E_RNA) where: Base-Base interactions energy: -498.655 where: short stacking energy: -268.477 Base-Backbone interact. energy: 2.496 local terms energy: -490.221211 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -163.579 flat angles C4'-P-C4' energy: -124.922 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -749.033107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.033107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.033107 (E_RNA) where: Base-Base interactions energy: -361.300 where: short stacking energy: -222.723 Base-Backbone interact. energy: 5.319 local terms energy: -393.051450 where: bonds (distance) C4'-P energy: -120.430 bonds (distance) P-C4' energy: -127.906 flat angles C4'-P-C4' energy: -104.346 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: 11.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2541.418649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.418649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.418649 (E_RNA) where: Base-Base interactions energy: -1741.626 where: short stacking energy: -717.588 Base-Backbone interact. energy: -5.585 local terms energy: -794.207234 where: bonds (distance) C4'-P energy: -157.692 bonds (distance) P-C4' energy: -149.434 flat angles C4'-P-C4' energy: -174.560 flat angles P-C4'-P energy: -114.245 tors. eta vs tors. theta energy: -198.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2426.945888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.945888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.945888 (E_RNA) where: Base-Base interactions energy: -1628.224 where: short stacking energy: -706.021 Base-Backbone interact. energy: -1.092 local terms energy: -797.630669 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -158.809 flat angles C4'-P-C4' energy: -170.799 flat angles P-C4'-P energy: -109.184 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: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2181.526109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.526109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.526109 (E_RNA) where: Base-Base interactions energy: -1437.551 where: short stacking energy: -660.059 Base-Backbone interact. energy: -0.648 local terms energy: -743.327627 where: bonds (distance) C4'-P energy: -141.817 bonds (distance) P-C4' energy: -168.002 flat angles C4'-P-C4' energy: -155.600 flat angles P-C4'-P energy: -105.690 tors. eta vs tors. theta energy: -172.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2066.023000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.023000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.023000 (E_RNA) where: Base-Base interactions energy: -1355.226 where: short stacking energy: -617.165 Base-Backbone interact. energy: 0.672 local terms energy: -711.469215 where: bonds (distance) C4'-P energy: -134.471 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -148.085 flat angles P-C4'-P energy: -116.132 tors. eta vs tors. theta energy: -160.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2023.321579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.321579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.321579 (E_RNA) where: Base-Base interactions energy: -1337.647 where: short stacking energy: -621.888 Base-Backbone interact. energy: -3.997 local terms energy: -681.677903 where: bonds (distance) C4'-P energy: -114.120 bonds (distance) P-C4' energy: -153.984 flat angles C4'-P-C4' energy: -151.188 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -159.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1791.262109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.262109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.262109 (E_RNA) where: Base-Base interactions energy: -1169.870 where: short stacking energy: -507.815 Base-Backbone interact. energy: -2.766 local terms energy: -618.626299 where: bonds (distance) C4'-P energy: -114.616 bonds (distance) P-C4' energy: -146.925 flat angles C4'-P-C4' energy: -148.280 flat angles P-C4'-P energy: -96.617 tors. eta vs tors. theta energy: -112.188 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: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1500.079615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.079615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.079615 (E_RNA) where: Base-Base interactions energy: -950.628 where: short stacking energy: -440.469 Base-Backbone interact. energy: -0.676 local terms energy: -548.775672 where: bonds (distance) C4'-P energy: -114.617 bonds (distance) P-C4' energy: -135.833 flat angles C4'-P-C4' energy: -126.791 flat angles P-C4'-P energy: -83.335 tors. eta vs tors. theta energy: -88.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1189.251260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.251260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.251260 (E_RNA) where: Base-Base interactions energy: -694.870 where: short stacking energy: -339.019 Base-Backbone interact. energy: 3.040 local terms energy: -497.420848 where: bonds (distance) C4'-P energy: -112.691 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -110.615 flat angles P-C4'-P energy: -92.663 tors. eta vs tors. theta energy: -43.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1083.151931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.151931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.151931 (E_RNA) where: Base-Base interactions energy: -651.755 where: short stacking energy: -297.569 Base-Backbone interact. energy: -2.294 local terms energy: -429.103303 where: bonds (distance) C4'-P energy: -127.135 bonds (distance) P-C4' energy: -114.242 flat angles C4'-P-C4' energy: -115.747 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -871.113628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.113628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.113628 (E_RNA) where: Base-Base interactions energy: -461.022 where: short stacking energy: -236.683 Base-Backbone interact. energy: 3.281 local terms energy: -413.372518 where: bonds (distance) C4'-P energy: -115.809 bonds (distance) P-C4' energy: -139.634 flat angles C4'-P-C4' energy: -86.593 flat angles P-C4'-P energy: -76.002 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2543.664485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.664485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.664485 (E_RNA) where: Base-Base interactions energy: -1762.074 where: short stacking energy: -735.446 Base-Backbone interact. energy: 0.202 local terms energy: -781.791887 where: bonds (distance) C4'-P energy: -152.247 bonds (distance) P-C4' energy: -155.331 flat angles C4'-P-C4' energy: -167.374 flat angles P-C4'-P energy: -116.190 tors. eta vs tors. theta energy: -190.651 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: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2422.859044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.859044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.859044 (E_RNA) where: Base-Base interactions energy: -1636.348 where: short stacking energy: -703.071 Base-Backbone interact. energy: -2.808 local terms energy: -783.703667 where: bonds (distance) C4'-P energy: -157.442 bonds (distance) P-C4' energy: -150.263 flat angles C4'-P-C4' energy: -163.540 flat angles P-C4'-P energy: -110.142 tors. eta vs tors. theta energy: -202.317 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: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2195.053518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.053518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.053518 (E_RNA) where: Base-Base interactions energy: -1466.496 where: short stacking energy: -669.093 Base-Backbone interact. energy: 0.264 local terms energy: -728.821764 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -140.447 flat angles C4'-P-C4' energy: -164.292 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -172.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2070.694677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.694677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.694677 (E_RNA) where: Base-Base interactions energy: -1377.950 where: short stacking energy: -616.088 Base-Backbone interact. energy: -1.946 local terms energy: -690.798674 where: bonds (distance) C4'-P energy: -133.934 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -149.447 flat angles P-C4'-P energy: -94.238 tors. eta vs tors. theta energy: -171.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2024.326902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.326902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.326902 (E_RNA) where: Base-Base interactions energy: -1330.621 where: short stacking energy: -595.397 Base-Backbone interact. energy: 0.391 local terms energy: -694.096325 where: bonds (distance) C4'-P energy: -142.242 bonds (distance) P-C4' energy: -150.276 flat angles C4'-P-C4' energy: -140.648 flat angles P-C4'-P energy: -106.492 tors. eta vs tors. theta energy: -154.439 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: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1842.459849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.459849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.459849 (E_RNA) where: Base-Base interactions energy: -1197.542 where: short stacking energy: -535.715 Base-Backbone interact. energy: 6.052 local terms energy: -650.970128 where: bonds (distance) C4'-P energy: -131.320 bonds (distance) P-C4' energy: -132.504 flat angles C4'-P-C4' energy: -160.325 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -125.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1578.787311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.787311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.787311 (E_RNA) where: Base-Base interactions energy: -991.543 where: short stacking energy: -424.551 Base-Backbone interact. energy: 1.615 local terms energy: -588.859235 where: bonds (distance) C4'-P energy: -134.440 bonds (distance) P-C4' energy: -152.573 flat angles C4'-P-C4' energy: -130.861 flat angles P-C4'-P energy: -89.673 tors. eta vs tors. theta energy: -81.313 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: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1243.990631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.990631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.990631 (E_RNA) where: Base-Base interactions energy: -730.735 where: short stacking energy: -371.003 Base-Backbone interact. energy: -1.434 local terms energy: -511.821051 where: bonds (distance) C4'-P energy: -129.538 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -123.660 flat angles P-C4'-P energy: -81.752 tors. eta vs tors. theta energy: -63.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1108.847943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.847943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.847943 (E_RNA) where: Base-Base interactions energy: -629.825 where: short stacking energy: -311.014 Base-Backbone interact. energy: -1.154 local terms energy: -477.869375 where: bonds (distance) C4'-P energy: -125.189 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -140.887 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: -34.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -857.565484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.565484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.565484 (E_RNA) where: Base-Base interactions energy: -456.946 where: short stacking energy: -266.853 Base-Backbone interact. energy: 0.691 local terms energy: -401.310628 where: bonds (distance) C4'-P energy: -120.490 bonds (distance) P-C4' energy: -113.980 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -0.323 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: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2517.371343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.371343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.371343 (E_RNA) where: Base-Base interactions energy: -1723.482 where: short stacking energy: -714.249 Base-Backbone interact. energy: -3.376 local terms energy: -790.513004 where: bonds (distance) C4'-P energy: -154.484 bonds (distance) P-C4' energy: -163.022 flat angles C4'-P-C4' energy: -171.529 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -201.727 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: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2432.323791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.323791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.323791 (E_RNA) where: Base-Base interactions energy: -1637.426 where: short stacking energy: -722.298 Base-Backbone interact. energy: -3.591 local terms energy: -791.306369 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -155.745 flat angles C4'-P-C4' energy: -170.110 flat angles P-C4'-P energy: -108.735 tors. eta vs tors. theta energy: -206.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2199.234779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.234779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.234779 (E_RNA) where: Base-Base interactions energy: -1469.348 where: short stacking energy: -637.822 Base-Backbone interact. energy: -0.122 local terms energy: -729.764439 where: bonds (distance) C4'-P energy: -149.689 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -106.454 tors. eta vs tors. theta energy: -161.531 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: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2111.014087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.014087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.014087 (E_RNA) where: Base-Base interactions energy: -1401.848 where: short stacking energy: -644.678 Base-Backbone interact. energy: -2.235 local terms energy: -706.930977 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -131.209 flat angles C4'-P-C4' energy: -154.201 flat angles P-C4'-P energy: -103.000 tors. eta vs tors. theta energy: -178.787 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: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2033.103006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.103006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.103006 (E_RNA) where: Base-Base interactions energy: -1356.867 where: short stacking energy: -619.691 Base-Backbone interact. energy: -3.540 local terms energy: -672.696048 where: bonds (distance) C4'-P energy: -131.986 bonds (distance) P-C4' energy: -134.552 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -155.244 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: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1856.396683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.396683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.396683 (E_RNA) where: Base-Base interactions energy: -1206.605 where: short stacking energy: -553.088 Base-Backbone interact. energy: 5.327 local terms energy: -655.118527 where: bonds (distance) C4'-P energy: -151.637 bonds (distance) P-C4' energy: -128.517 flat angles C4'-P-C4' energy: -156.212 flat angles P-C4'-P energy: -83.737 tors. eta vs tors. theta energy: -135.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1503.982663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.982663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.982663 (E_RNA) where: Base-Base interactions energy: -954.493 where: short stacking energy: -400.570 Base-Backbone interact. energy: -1.478 local terms energy: -548.011414 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -84.002 tors. eta vs tors. theta energy: -72.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1227.656771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.656771 (E_RNA) where: Base-Base interactions energy: -708.151 where: short stacking energy: -344.861 Base-Backbone interact. energy: -3.517 local terms energy: -515.988095 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -151.368 flat angles C4'-P-C4' energy: -103.513 flat angles P-C4'-P energy: -83.678 tors. eta vs tors. theta energy: -49.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1112.935269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.935269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.935269 (E_RNA) where: Base-Base interactions energy: -622.326 where: short stacking energy: -322.382 Base-Backbone interact. energy: 0.458 local terms energy: -491.068167 where: bonds (distance) C4'-P energy: -124.083 bonds (distance) P-C4' energy: -143.040 flat angles C4'-P-C4' energy: -108.473 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: -38.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -930.472182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.472182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.472182 (E_RNA) where: Base-Base interactions energy: -501.882 where: short stacking energy: -259.050 Base-Backbone interact. energy: 2.350 local terms energy: -430.940207 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -125.342 flat angles C4'-P-C4' energy: -127.882 flat angles P-C4'-P energy: -50.216 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2504.393296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.393296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.393296 (E_RNA) where: Base-Base interactions energy: -1725.212 where: short stacking energy: -735.241 Base-Backbone interact. energy: -4.329 local terms energy: -774.852053 where: bonds (distance) C4'-P energy: -141.706 bonds (distance) P-C4' energy: -159.122 flat angles C4'-P-C4' energy: -167.885 flat angles P-C4'-P energy: -111.829 tors. eta vs tors. theta energy: -194.309 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: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2426.446021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.446021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.446021 (E_RNA) where: Base-Base interactions energy: -1635.563 where: short stacking energy: -728.253 Base-Backbone interact. energy: -3.319 local terms energy: -787.564197 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -150.878 flat angles C4'-P-C4' energy: -171.499 flat angles P-C4'-P energy: -106.986 tors. eta vs tors. theta energy: -201.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2228.518391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.518391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.518391 (E_RNA) where: Base-Base interactions energy: -1479.847 where: short stacking energy: -663.316 Base-Backbone interact. energy: 1.207 local terms energy: -749.877820 where: bonds (distance) C4'-P energy: -130.796 bonds (distance) P-C4' energy: -159.124 flat angles C4'-P-C4' energy: -183.669 flat angles P-C4'-P energy: -107.551 tors. eta vs tors. theta energy: -168.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2129.413394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.413394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.413394 (E_RNA) where: Base-Base interactions energy: -1434.173 where: short stacking energy: -648.742 Base-Backbone interact. energy: -0.734 local terms energy: -694.506308 where: bonds (distance) C4'-P energy: -127.628 bonds (distance) P-C4' energy: -143.771 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -170.582 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: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1974.797697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.797697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.797697 (E_RNA) where: Base-Base interactions energy: -1319.530 where: short stacking energy: -572.175 Base-Backbone interact. energy: -2.555 local terms energy: -652.712808 where: bonds (distance) C4'-P energy: -132.763 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -149.387 flat angles P-C4'-P energy: -90.520 tors. eta vs tors. theta energy: -143.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1826.120797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.120797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.120797 (E_RNA) where: Base-Base interactions energy: -1187.193 where: short stacking energy: -537.441 Base-Backbone interact. energy: -0.681 local terms energy: -638.246836 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -130.074 flat angles C4'-P-C4' energy: -152.370 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -134.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1495.917087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.917087 (E_RNA) where: Base-Base interactions energy: -955.369 where: short stacking energy: -420.762 Base-Backbone interact. energy: 0.510 local terms energy: -541.058595 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -133.039 flat angles C4'-P-C4' energy: -125.682 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -87.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1235.199382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.199382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.199382 (E_RNA) where: Base-Base interactions energy: -729.969 where: short stacking energy: -383.317 Base-Backbone interact. energy: -0.478 local terms energy: -504.753171 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -128.626 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -59.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1076.510730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.510730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.510730 (E_RNA) where: Base-Base interactions energy: -594.127 where: short stacking energy: -303.214 Base-Backbone interact. energy: -3.273 local terms energy: -479.110289 where: bonds (distance) C4'-P energy: -119.569 bonds (distance) P-C4' energy: -134.326 flat angles C4'-P-C4' energy: -118.826 flat angles P-C4'-P energy: -73.792 tors. eta vs tors. theta energy: -32.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -953.012214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.012214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.012214 (E_RNA) where: Base-Base interactions energy: -541.387 where: short stacking energy: -282.126 Base-Backbone interact. energy: 1.083 local terms energy: -412.708595 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -129.139 flat angles C4'-P-C4' energy: -106.750 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -13.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2513.571870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.571870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.571870 (E_RNA) where: Base-Base interactions energy: -1710.931 where: short stacking energy: -723.147 Base-Backbone interact. energy: -0.109 local terms energy: -802.532105 where: bonds (distance) C4'-P energy: -156.522 bonds (distance) P-C4' energy: -162.325 flat angles C4'-P-C4' energy: -179.264 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -198.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2367.354570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.354570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.354570 (E_RNA) where: Base-Base interactions energy: -1572.106 where: short stacking energy: -680.946 Base-Backbone interact. energy: -5.862 local terms energy: -789.386815 where: bonds (distance) C4'-P energy: -146.691 bonds (distance) P-C4' energy: -164.601 flat angles C4'-P-C4' energy: -178.542 flat angles P-C4'-P energy: -104.524 tors. eta vs tors. theta energy: -195.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2235.292388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.292388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.292388 (E_RNA) where: Base-Base interactions energy: -1507.887 where: short stacking energy: -652.212 Base-Backbone interact. energy: 0.546 local terms energy: -727.951072 where: bonds (distance) C4'-P energy: -154.807 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -168.119 flat angles P-C4'-P energy: -101.025 tors. eta vs tors. theta energy: -172.538 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: 74 Temperature: 1.050000 Total energy: -2094.531001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.531001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.531001 (E_RNA) where: Base-Base interactions energy: -1373.804 where: short stacking energy: -631.308 Base-Backbone interact. energy: -2.026 local terms energy: -718.700834 where: bonds (distance) C4'-P energy: -140.915 bonds (distance) P-C4' energy: -148.292 flat angles C4'-P-C4' energy: -155.055 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -162.551 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: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1992.371924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.371924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.371924 (E_RNA) where: Base-Base interactions energy: -1355.360 where: short stacking energy: -576.604 Base-Backbone interact. energy: -1.276 local terms energy: -635.735335 where: bonds (distance) C4'-P energy: -115.330 bonds (distance) P-C4' energy: -138.818 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -94.098 tors. eta vs tors. theta energy: -153.708 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: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1813.156624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.156624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.156624 (E_RNA) where: Base-Base interactions energy: -1190.651 where: short stacking energy: -546.508 Base-Backbone interact. energy: -2.497 local terms energy: -620.008072 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -153.387 flat angles P-C4'-P energy: -96.758 tors. eta vs tors. theta energy: -119.922 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: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1526.545237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.545237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.545237 (E_RNA) where: Base-Base interactions energy: -968.475 where: short stacking energy: -467.160 Base-Backbone interact. energy: 0.951 local terms energy: -559.022168 where: bonds (distance) C4'-P energy: -111.319 bonds (distance) P-C4' energy: -145.268 flat angles C4'-P-C4' energy: -147.139 flat angles P-C4'-P energy: -68.646 tors. eta vs tors. theta energy: -86.649 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: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1239.463730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.463730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.463730 (E_RNA) where: Base-Base interactions energy: -730.114 where: short stacking energy: -377.781 Base-Backbone interact. energy: -0.675 local terms energy: -508.674969 where: bonds (distance) C4'-P energy: -113.726 bonds (distance) P-C4' energy: -142.106 flat angles C4'-P-C4' energy: -131.375 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -50.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1077.164634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.164634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.164634 (E_RNA) where: Base-Base interactions energy: -609.040 where: short stacking energy: -304.893 Base-Backbone interact. energy: 2.860 local terms energy: -470.984588 where: bonds (distance) C4'-P energy: -113.667 bonds (distance) P-C4' energy: -125.166 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -81.671 tors. eta vs tors. theta energy: -37.346 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: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -922.322996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.322996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.322996 (E_RNA) where: Base-Base interactions energy: -501.530 where: short stacking energy: -281.689 Base-Backbone interact. energy: -2.252 local terms energy: -418.540996 where: bonds (distance) C4'-P energy: -102.626 bonds (distance) P-C4' energy: -113.797 flat angles C4'-P-C4' energy: -112.097 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -19.032 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: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2495.006107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.006107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.006107 (E_RNA) where: Base-Base interactions energy: -1705.950 where: short stacking energy: -685.686 Base-Backbone interact. energy: -0.568 local terms energy: -788.487909 where: bonds (distance) C4'-P energy: -157.445 bonds (distance) P-C4' energy: -160.400 flat angles C4'-P-C4' energy: -170.154 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -197.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2368.114929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.114929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.114929 (E_RNA) where: Base-Base interactions energy: -1624.290 where: short stacking energy: -707.507 Base-Backbone interact. energy: -1.234 local terms energy: -742.590491 where: bonds (distance) C4'-P energy: -130.471 bonds (distance) P-C4' energy: -138.568 flat angles C4'-P-C4' energy: -165.326 flat angles P-C4'-P energy: -104.891 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: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2216.353657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.353657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.353657 (E_RNA) where: Base-Base interactions energy: -1475.524 where: short stacking energy: -645.227 Base-Backbone interact. energy: -5.528 local terms energy: -735.301708 where: bonds (distance) C4'-P energy: -127.952 bonds (distance) P-C4' energy: -162.097 flat angles C4'-P-C4' energy: -160.801 flat angles P-C4'-P energy: -110.590 tors. eta vs tors. theta energy: -173.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2136.502492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.502492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.502492 (E_RNA) where: Base-Base interactions energy: -1394.274 where: short stacking energy: -628.857 Base-Backbone interact. energy: -2.924 local terms energy: -739.304728 where: bonds (distance) C4'-P energy: -145.452 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -163.300 flat angles P-C4'-P energy: -115.081 tors. eta vs tors. theta energy: -175.922 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: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1993.360736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.360736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.360736 (E_RNA) where: Base-Base interactions energy: -1344.536 where: short stacking energy: -567.705 Base-Backbone interact. energy: 1.405 local terms energy: -650.229833 where: bonds (distance) C4'-P energy: -130.564 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -151.941 flat angles P-C4'-P energy: -100.209 tors. eta vs tors. theta energy: -132.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1783.591407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.591407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.591407 (E_RNA) where: Base-Base interactions energy: -1173.926 where: short stacking energy: -539.277 Base-Backbone interact. energy: 2.290 local terms energy: -611.955440 where: bonds (distance) C4'-P energy: -109.424 bonds (distance) P-C4' energy: -144.236 flat angles C4'-P-C4' energy: -146.925 flat angles P-C4'-P energy: -95.476 tors. eta vs tors. theta energy: -115.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1440.564168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.564168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.564168 (E_RNA) where: Base-Base interactions energy: -878.094 where: short stacking energy: -406.839 Base-Backbone interact. energy: -2.119 local terms energy: -560.351393 where: bonds (distance) C4'-P energy: -136.584 bonds (distance) P-C4' energy: -149.704 flat angles C4'-P-C4' energy: -134.682 flat angles P-C4'-P energy: -65.910 tors. eta vs tors. theta energy: -73.472 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: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1255.793090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.793090 (E_RNA) where: Base-Base interactions energy: -732.565 where: short stacking energy: -388.757 Base-Backbone interact. energy: 8.232 local terms energy: -531.459690 where: bonds (distance) C4'-P energy: -108.002 bonds (distance) P-C4' energy: -146.469 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -69.918 tors. eta vs tors. theta energy: -74.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1094.842916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.842916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.842916 (E_RNA) where: Base-Base interactions energy: -616.725 where: short stacking energy: -294.858 Base-Backbone interact. energy: -1.527 local terms energy: -476.590937 where: bonds (distance) C4'-P energy: -138.432 bonds (distance) P-C4' energy: -141.954 flat angles C4'-P-C4' energy: -109.848 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -935.396376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.396376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.396376 (E_RNA) where: Base-Base interactions energy: -504.450 where: short stacking energy: -268.149 Base-Backbone interact. energy: 1.123 local terms energy: -432.069948 where: bonds (distance) C4'-P energy: -103.013 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -136.469 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -7.902 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: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2540.511220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.511220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.511220 (E_RNA) where: Base-Base interactions energy: -1724.781 where: short stacking energy: -735.447 Base-Backbone interact. energy: -0.445 local terms energy: -815.285656 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -159.420 flat angles C4'-P-C4' energy: -174.617 flat angles P-C4'-P energy: -119.687 tors. eta vs tors. theta energy: -208.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2336.595983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.595983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.595983 (E_RNA) where: Base-Base interactions energy: -1576.019 where: short stacking energy: -679.399 Base-Backbone interact. energy: -1.444 local terms energy: -759.132586 where: bonds (distance) C4'-P energy: -143.630 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -168.181 flat angles P-C4'-P energy: -101.985 tors. eta vs tors. theta energy: -190.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2209.190631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.190631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.190631 (E_RNA) where: Base-Base interactions energy: -1481.770 where: short stacking energy: -595.095 Base-Backbone interact. energy: 0.563 local terms energy: -727.983810 where: bonds (distance) C4'-P energy: -152.556 bonds (distance) P-C4' energy: -153.645 flat angles C4'-P-C4' energy: -153.520 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -159.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2113.021527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.021527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.021527 (E_RNA) where: Base-Base interactions energy: -1413.040 where: short stacking energy: -636.047 Base-Backbone interact. energy: -1.651 local terms energy: -698.331119 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -166.143 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -169.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1990.464167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.464167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.464167 (E_RNA) where: Base-Base interactions energy: -1346.312 where: short stacking energy: -608.516 Base-Backbone interact. energy: 0.056 local terms energy: -644.207429 where: bonds (distance) C4'-P energy: -123.275 bonds (distance) P-C4' energy: -154.398 flat angles C4'-P-C4' energy: -146.165 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -134.995 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: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1713.789338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.789338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.789338 (E_RNA) where: Base-Base interactions energy: -1124.903 where: short stacking energy: -502.085 Base-Backbone interact. energy: -1.986 local terms energy: -586.900567 where: bonds (distance) C4'-P energy: -118.004 bonds (distance) P-C4' energy: -146.904 flat angles C4'-P-C4' energy: -125.425 flat angles P-C4'-P energy: -87.799 tors. eta vs tors. theta energy: -108.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1445.800500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.800500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.800500 (E_RNA) where: Base-Base interactions energy: -892.114 where: short stacking energy: -424.712 Base-Backbone interact. energy: 3.005 local terms energy: -556.691206 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -137.228 flat angles C4'-P-C4' energy: -136.458 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -73.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1242.387381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.387381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.387381 (E_RNA) where: Base-Base interactions energy: -706.945 where: short stacking energy: -383.510 Base-Backbone interact. energy: 2.305 local terms energy: -537.747678 where: bonds (distance) C4'-P energy: -127.381 bonds (distance) P-C4' energy: -129.259 flat angles C4'-P-C4' energy: -142.440 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -64.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1095.369691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.369691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.369691 (E_RNA) where: Base-Base interactions energy: -609.649 where: short stacking energy: -332.004 Base-Backbone interact. energy: -0.997 local terms energy: -484.724417 where: bonds (distance) C4'-P energy: -117.492 bonds (distance) P-C4' energy: -131.950 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -83.693 tors. eta vs tors. theta energy: -30.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -881.595292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.595292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.595292 (E_RNA) where: Base-Base interactions energy: -503.902 where: short stacking energy: -253.872 Base-Backbone interact. energy: 4.857 local terms energy: -382.549544 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -77.296 flat angles P-C4'-P energy: -49.982 tors. eta vs tors. theta energy: -5.187 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: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2568.163378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.163378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.163378 (E_RNA) where: Base-Base interactions energy: -1743.110 where: short stacking energy: -721.925 Base-Backbone interact. energy: -3.000 local terms energy: -822.053950 where: bonds (distance) C4'-P energy: -169.691 bonds (distance) P-C4' energy: -164.992 flat angles C4'-P-C4' energy: -167.175 flat angles P-C4'-P energy: -110.035 tors. eta vs tors. theta energy: -210.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2332.523145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.523145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.523145 (E_RNA) where: Base-Base interactions energy: -1551.591 where: short stacking energy: -675.412 Base-Backbone interact. energy: -4.262 local terms energy: -776.669675 where: bonds (distance) C4'-P energy: -136.721 bonds (distance) P-C4' energy: -158.869 flat angles C4'-P-C4' energy: -172.208 flat angles P-C4'-P energy: -122.409 tors. eta vs tors. theta energy: -186.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2193.427956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.427956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.427956 (E_RNA) where: Base-Base interactions energy: -1475.549 where: short stacking energy: -640.584 Base-Backbone interact. energy: -1.445 local terms energy: -716.433611 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -143.351 flat angles C4'-P-C4' energy: -161.042 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -168.967 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: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2078.089350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.089350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.089350 (E_RNA) where: Base-Base interactions energy: -1346.913 where: short stacking energy: -596.334 Base-Backbone interact. energy: -0.834 local terms energy: -730.342601 where: bonds (distance) C4'-P energy: -141.539 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -123.088 tors. eta vs tors. theta energy: -165.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1970.101413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.101413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.101413 (E_RNA) where: Base-Base interactions energy: -1313.720 where: short stacking energy: -539.852 Base-Backbone interact. energy: 5.803 local terms energy: -662.184846 where: bonds (distance) C4'-P energy: -122.145 bonds (distance) P-C4' energy: -137.825 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -142.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1698.493972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.493972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.493972 (E_RNA) where: Base-Base interactions energy: -1090.537 where: short stacking energy: -495.794 Base-Backbone interact. energy: -3.598 local terms energy: -604.359047 where: bonds (distance) C4'-P energy: -114.464 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -146.518 flat angles P-C4'-P energy: -100.040 tors. eta vs tors. theta energy: -125.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1523.211963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.211963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.211963 (E_RNA) where: Base-Base interactions energy: -965.423 where: short stacking energy: -442.189 Base-Backbone interact. energy: 5.446 local terms energy: -563.234162 where: bonds (distance) C4'-P energy: -127.229 bonds (distance) P-C4' energy: -124.389 flat angles C4'-P-C4' energy: -146.152 flat angles P-C4'-P energy: -79.932 tors. eta vs tors. theta energy: -85.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1270.894110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.894110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.894110 (E_RNA) where: Base-Base interactions energy: -743.405 where: short stacking energy: -373.539 Base-Backbone interact. energy: -1.875 local terms energy: -525.614385 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -123.635 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -77.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1116.498802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.498802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.498802 (E_RNA) where: Base-Base interactions energy: -671.394 where: short stacking energy: -344.346 Base-Backbone interact. energy: 2.068 local terms energy: -447.172498 where: bonds (distance) C4'-P energy: -113.228 bonds (distance) P-C4' energy: -122.547 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -50.866 tors. eta vs tors. theta energy: -44.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -852.064508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.064508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.064508 (E_RNA) where: Base-Base interactions energy: -440.695 where: short stacking energy: -231.357 Base-Backbone interact. energy: -1.069 local terms energy: -410.300016 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -115.234 flat angles C4'-P-C4' energy: -100.238 flat angles P-C4'-P energy: -83.220 tors. eta vs tors. theta energy: 6.785 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: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2557.790647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.790647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.790647 (E_RNA) where: Base-Base interactions energy: -1778.137 where: short stacking energy: -718.439 Base-Backbone interact. energy: -0.846 local terms energy: -778.808083 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -153.542 flat angles C4'-P-C4' energy: -169.569 flat angles P-C4'-P energy: -117.542 tors. eta vs tors. theta energy: -187.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2400.197406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.197406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.197406 (E_RNA) where: Base-Base interactions energy: -1616.601 where: short stacking energy: -703.040 Base-Backbone interact. energy: -1.893 local terms energy: -781.704314 where: bonds (distance) C4'-P energy: -154.380 bonds (distance) P-C4' energy: -167.612 flat angles C4'-P-C4' energy: -160.038 flat angles P-C4'-P energy: -113.080 tors. eta vs tors. theta energy: -186.595 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: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2240.691037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.691037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.691037 (E_RNA) where: Base-Base interactions energy: -1538.531 where: short stacking energy: -646.890 Base-Backbone interact. energy: -2.346 local terms energy: -699.814235 where: bonds (distance) C4'-P energy: -114.026 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -161.470 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -165.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2093.392203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.392203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.392203 (E_RNA) where: Base-Base interactions energy: -1397.744 where: short stacking energy: -625.241 Base-Backbone interact. energy: -3.735 local terms energy: -691.913613 where: bonds (distance) C4'-P energy: -135.911 bonds (distance) P-C4' energy: -133.222 flat angles C4'-P-C4' energy: -152.190 flat angles P-C4'-P energy: -104.564 tors. eta vs tors. theta energy: -166.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1940.996327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.996327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.996327 (E_RNA) where: Base-Base interactions energy: -1268.659 where: short stacking energy: -589.446 Base-Backbone interact. energy: -0.686 local terms energy: -671.651547 where: bonds (distance) C4'-P energy: -133.357 bonds (distance) P-C4' energy: -148.439 flat angles C4'-P-C4' energy: -152.353 flat angles P-C4'-P energy: -95.375 tors. eta vs tors. theta energy: -142.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1739.518225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.518225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.518225 (E_RNA) where: Base-Base interactions energy: -1109.161 where: short stacking energy: -533.451 Base-Backbone interact. energy: 1.401 local terms energy: -631.757469 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -135.319 flat angles P-C4'-P energy: -97.290 tors. eta vs tors. theta energy: -139.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1466.727703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.727703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.727703 (E_RNA) where: Base-Base interactions energy: -954.271 where: short stacking energy: -449.697 Base-Backbone interact. energy: -1.421 local terms energy: -511.035934 where: bonds (distance) C4'-P energy: -104.724 bonds (distance) P-C4' energy: -134.129 flat angles C4'-P-C4' energy: -145.816 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -67.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1178.248521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.248521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.248521 (E_RNA) where: Base-Base interactions energy: -669.298 where: short stacking energy: -344.337 Base-Backbone interact. energy: 0.969 local terms energy: -509.919106 where: bonds (distance) C4'-P energy: -137.740 bonds (distance) P-C4' energy: -122.386 flat angles C4'-P-C4' energy: -136.524 flat angles P-C4'-P energy: -76.014 tors. eta vs tors. theta energy: -37.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1101.682587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.682587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.682587 (E_RNA) where: Base-Base interactions energy: -627.950 where: short stacking energy: -321.858 Base-Backbone interact. energy: 1.624 local terms energy: -475.356742 where: bonds (distance) C4'-P energy: -120.384 bonds (distance) P-C4' energy: -123.830 flat angles C4'-P-C4' energy: -123.552 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -49.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -832.580167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.580167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.580167 (E_RNA) where: Base-Base interactions energy: -417.603 where: short stacking energy: -253.078 Base-Backbone interact. energy: -1.341 local terms energy: -413.635754 where: bonds (distance) C4'-P energy: -128.328 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -108.281 flat angles P-C4'-P energy: -51.769 tors. eta vs tors. theta energy: -3.061 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2596.328724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.328724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.328724 (E_RNA) where: Base-Base interactions energy: -1798.748 where: short stacking energy: -738.810 Base-Backbone interact. energy: -3.083 local terms energy: -794.497665 where: bonds (distance) C4'-P energy: -152.224 bonds (distance) P-C4' energy: -159.769 flat angles C4'-P-C4' energy: -175.422 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -206.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2381.045730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.045730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.045730 (E_RNA) where: Base-Base interactions energy: -1610.872 where: short stacking energy: -720.406 Base-Backbone interact. energy: -2.876 local terms energy: -767.297667 where: bonds (distance) C4'-P energy: -146.308 bonds (distance) P-C4' energy: -162.037 flat angles C4'-P-C4' energy: -155.455 flat angles P-C4'-P energy: -105.056 tors. eta vs tors. theta energy: -198.442 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: 79 Temperature: 1.000000 Total energy: -2206.272680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.272680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.272680 (E_RNA) where: Base-Base interactions energy: -1477.218 where: short stacking energy: -653.321 Base-Backbone interact. energy: -2.207 local terms energy: -726.847442 where: bonds (distance) C4'-P energy: -148.634 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -155.569 flat angles P-C4'-P energy: -101.269 tors. eta vs tors. theta energy: -191.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2094.457239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.457239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.457239 (E_RNA) where: Base-Base interactions energy: -1367.274 where: short stacking energy: -634.645 Base-Backbone interact. energy: 2.757 local terms energy: -729.939772 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -148.162 flat angles C4'-P-C4' energy: -164.410 flat angles P-C4'-P energy: -105.902 tors. eta vs tors. theta energy: -172.725 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: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1904.649535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.649535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.649535 (E_RNA) where: Base-Base interactions energy: -1248.214 where: short stacking energy: -539.839 Base-Backbone interact. energy: 0.240 local terms energy: -656.675973 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -144.017 flat angles C4'-P-C4' energy: -128.341 flat angles P-C4'-P energy: -92.150 tors. eta vs tors. theta energy: -144.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1770.279423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.279423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.279423 (E_RNA) where: Base-Base interactions energy: -1145.063 where: short stacking energy: -515.447 Base-Backbone interact. energy: -2.629 local terms energy: -622.586548 where: bonds (distance) C4'-P energy: -131.451 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -141.602 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -112.913 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1532.069768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.069768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.069768 (E_RNA) where: Base-Base interactions energy: -952.802 where: short stacking energy: -438.975 Base-Backbone interact. energy: -3.668 local terms energy: -575.600093 where: bonds (distance) C4'-P energy: -141.179 bonds (distance) P-C4' energy: -125.353 flat angles C4'-P-C4' energy: -125.269 flat angles P-C4'-P energy: -93.507 tors. eta vs tors. theta energy: -90.292 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: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1215.896889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.896889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.896889 (E_RNA) where: Base-Base interactions energy: -733.829 where: short stacking energy: -356.689 Base-Backbone interact. energy: 1.317 local terms energy: -483.385092 where: bonds (distance) C4'-P energy: -125.985 bonds (distance) P-C4' energy: -126.705 flat angles C4'-P-C4' energy: -111.142 flat angles P-C4'-P energy: -75.879 tors. eta vs tors. theta energy: -43.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1126.279028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.279028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.279028 (E_RNA) where: Base-Base interactions energy: -641.407 where: short stacking energy: -303.407 Base-Backbone interact. energy: -1.813 local terms energy: -483.058687 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -125.576 flat angles C4'-P-C4' energy: -115.838 flat angles P-C4'-P energy: -71.322 tors. eta vs tors. theta energy: -42.986 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: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -866.019839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.019839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.019839 (E_RNA) where: Base-Base interactions energy: -450.002 where: short stacking energy: -239.188 Base-Backbone interact. energy: -0.296 local terms energy: -415.722456 where: bonds (distance) C4'-P energy: -114.732 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -102.632 flat angles P-C4'-P energy: -71.440 tors. eta vs tors. theta energy: 4.823 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: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2584.789240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.789240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.789240 (E_RNA) where: Base-Base interactions energy: -1798.970 where: short stacking energy: -747.337 Base-Backbone interact. energy: -4.813 local terms energy: -781.006086 where: bonds (distance) C4'-P energy: -145.550 bonds (distance) P-C4' energy: -154.178 flat angles C4'-P-C4' energy: -171.095 flat angles P-C4'-P energy: -111.769 tors. eta vs tors. theta energy: -198.414 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: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2362.416751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.416751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.416751 (E_RNA) where: Base-Base interactions energy: -1613.532 where: short stacking energy: -705.551 Base-Backbone interact. energy: -3.299 local terms energy: -745.585895 where: bonds (distance) C4'-P energy: -129.047 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -166.897 flat angles P-C4'-P energy: -114.017 tors. eta vs tors. theta energy: -183.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2175.688258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.688258 (E_RNA) where: Base-Base interactions energy: -1425.459 where: short stacking energy: -668.564 Base-Backbone interact. energy: -0.075 local terms energy: -750.154602 where: bonds (distance) C4'-P energy: -158.072 bonds (distance) P-C4' energy: -157.703 flat angles C4'-P-C4' energy: -177.000 flat angles P-C4'-P energy: -84.692 tors. eta vs tors. theta energy: -172.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2120.685896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.685896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.685896 (E_RNA) where: Base-Base interactions energy: -1375.071 where: short stacking energy: -626.798 Base-Backbone interact. energy: -1.415 local terms energy: -744.199297 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -153.834 flat angles C4'-P-C4' energy: -171.191 flat angles P-C4'-P energy: -92.625 tors. eta vs tors. theta energy: -174.023 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: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1915.274983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.274983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.274983 (E_RNA) where: Base-Base interactions energy: -1277.038 where: short stacking energy: -561.625 Base-Backbone interact. energy: -3.652 local terms energy: -634.584774 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -145.663 flat angles C4'-P-C4' energy: -145.158 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -139.639 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: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1731.948257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.948257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.948257 (E_RNA) where: Base-Base interactions energy: -1131.254 where: short stacking energy: -505.221 Base-Backbone interact. energy: -3.964 local terms energy: -596.730596 where: bonds (distance) C4'-P energy: -143.783 bonds (distance) P-C4' energy: -123.419 flat angles C4'-P-C4' energy: -130.480 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -114.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1493.575093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.575093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.575093 (E_RNA) where: Base-Base interactions energy: -914.549 where: short stacking energy: -435.287 Base-Backbone interact. energy: 3.466 local terms energy: -582.492513 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -141.395 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -75.353 tors. eta vs tors. theta energy: -92.281 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: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1213.413121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.413121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.413121 (E_RNA) where: Base-Base interactions energy: -696.043 where: short stacking energy: -319.048 Base-Backbone interact. energy: -2.574 local terms energy: -514.797069 where: bonds (distance) C4'-P energy: -120.252 bonds (distance) P-C4' energy: -132.266 flat angles C4'-P-C4' energy: -115.247 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -54.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1109.145060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.145060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.145060 (E_RNA) where: Base-Base interactions energy: -641.913 where: short stacking energy: -290.458 Base-Backbone interact. energy: -4.152 local terms energy: -463.079968 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -116.330 flat angles P-C4'-P energy: -73.305 tors. eta vs tors. theta energy: -21.678 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -823.362982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.362982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.362982 (E_RNA) where: Base-Base interactions energy: -437.617 where: short stacking energy: -219.888 Base-Backbone interact. energy: -0.652 local terms energy: -385.093939 where: bonds (distance) C4'-P energy: -115.969 bonds (distance) P-C4' energy: -128.433 flat angles C4'-P-C4' energy: -100.261 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: 9.046 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: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2577.808818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.808818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.808818 (E_RNA) where: Base-Base interactions energy: -1800.833 where: short stacking energy: -728.739 Base-Backbone interact. energy: -5.978 local terms energy: -770.998195 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -170.592 flat angles P-C4'-P energy: -125.226 tors. eta vs tors. theta energy: -186.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2336.749750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.749750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.749750 (E_RNA) where: Base-Base interactions energy: -1560.700 where: short stacking energy: -689.882 Base-Backbone interact. energy: -3.391 local terms energy: -772.658752 where: bonds (distance) C4'-P energy: -158.357 bonds (distance) P-C4' energy: -149.241 flat angles C4'-P-C4' energy: -159.610 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -195.374 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: 81 Temperature: 1.000000 Total energy: -2220.289740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.289740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.289740 (E_RNA) where: Base-Base interactions energy: -1493.511 where: short stacking energy: -671.923 Base-Backbone interact. energy: -0.145 local terms energy: -726.633707 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -142.718 flat angles C4'-P-C4' energy: -167.246 flat angles P-C4'-P energy: -119.025 tors. eta vs tors. theta energy: -180.615 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: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2121.060809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.060809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.060809 (E_RNA) where: Base-Base interactions energy: -1404.635 where: short stacking energy: -639.268 Base-Backbone interact. energy: 0.077 local terms energy: -716.502620 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -163.661 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -162.674 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: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1944.948248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.948248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.948248 (E_RNA) where: Base-Base interactions energy: -1300.525 where: short stacking energy: -584.036 Base-Backbone interact. energy: 0.660 local terms energy: -645.083070 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -133.561 flat angles C4'-P-C4' energy: -159.416 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -150.101 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: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1768.383512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.383512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.383512 (E_RNA) where: Base-Base interactions energy: -1118.801 where: short stacking energy: -522.661 Base-Backbone interact. energy: 1.120 local terms energy: -650.703270 where: bonds (distance) C4'-P energy: -152.166 bonds (distance) P-C4' energy: -143.770 flat angles C4'-P-C4' energy: -147.522 flat angles P-C4'-P energy: -85.610 tors. eta vs tors. theta energy: -121.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1520.216013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.216013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.216013 (E_RNA) where: Base-Base interactions energy: -972.269 where: short stacking energy: -416.884 Base-Backbone interact. energy: -0.363 local terms energy: -547.583903 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -126.545 flat angles P-C4'-P energy: -87.757 tors. eta vs tors. theta energy: -80.725 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: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1217.522754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.522754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.522754 (E_RNA) where: Base-Base interactions energy: -725.490 where: short stacking energy: -341.330 Base-Backbone interact. energy: -1.443 local terms energy: -490.589655 where: bonds (distance) C4'-P energy: -106.730 bonds (distance) P-C4' energy: -142.425 flat angles C4'-P-C4' energy: -127.399 flat angles P-C4'-P energy: -78.211 tors. eta vs tors. theta energy: -35.826 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: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1185.172046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.172046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.172046 (E_RNA) where: Base-Base interactions energy: -691.850 where: short stacking energy: -331.116 Base-Backbone interact. energy: -0.969 local terms energy: -492.353559 where: bonds (distance) C4'-P energy: -104.876 bonds (distance) P-C4' energy: -140.900 flat angles C4'-P-C4' energy: -121.699 flat angles P-C4'-P energy: -78.401 tors. eta vs tors. theta energy: -46.477 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: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -927.523087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.523087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.523087 (E_RNA) where: Base-Base interactions energy: -518.537 where: short stacking energy: -275.096 Base-Backbone interact. energy: -0.850 local terms energy: -408.136402 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -118.852 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2570.664868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.664868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.664868 (E_RNA) where: Base-Base interactions energy: -1790.219 where: short stacking energy: -735.021 Base-Backbone interact. energy: -5.939 local terms energy: -774.506743 where: bonds (distance) C4'-P energy: -147.331 bonds (distance) P-C4' energy: -154.925 flat angles C4'-P-C4' energy: -159.561 flat angles P-C4'-P energy: -110.006 tors. eta vs tors. theta energy: -202.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2362.209008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.209008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.209008 (E_RNA) where: Base-Base interactions energy: -1581.885 where: short stacking energy: -697.116 Base-Backbone interact. energy: -4.674 local terms energy: -775.649980 where: bonds (distance) C4'-P energy: -153.205 bonds (distance) P-C4' energy: -149.908 flat angles C4'-P-C4' energy: -165.686 flat angles P-C4'-P energy: -117.728 tors. eta vs tors. theta energy: -189.123 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: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2198.091417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.091417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.091417 (E_RNA) where: Base-Base interactions energy: -1454.818 where: short stacking energy: -650.841 Base-Backbone interact. energy: -1.871 local terms energy: -741.402221 where: bonds (distance) C4'-P energy: -133.668 bonds (distance) P-C4' energy: -147.858 flat angles C4'-P-C4' energy: -162.899 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -185.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2135.749286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.749286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.749286 (E_RNA) where: Base-Base interactions energy: -1462.213 where: short stacking energy: -621.182 Base-Backbone interact. energy: 3.878 local terms energy: -677.414323 where: bonds (distance) C4'-P energy: -139.992 bonds (distance) P-C4' energy: -143.080 flat angles C4'-P-C4' energy: -144.007 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -158.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1973.816223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.816223 (E_RNA) where: Base-Base interactions energy: -1337.672 where: short stacking energy: -565.101 Base-Backbone interact. energy: -1.116 local terms energy: -635.028195 where: bonds (distance) C4'-P energy: -135.148 bonds (distance) P-C4' energy: -136.759 flat angles C4'-P-C4' energy: -140.869 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -125.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1725.169374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.169374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.169374 (E_RNA) where: Base-Base interactions energy: -1089.333 where: short stacking energy: -498.378 Base-Backbone interact. energy: -1.071 local terms energy: -634.764919 where: bonds (distance) C4'-P energy: -138.374 bonds (distance) P-C4' energy: -133.751 flat angles C4'-P-C4' energy: -145.543 flat angles P-C4'-P energy: -101.158 tors. eta vs tors. theta energy: -115.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1546.609972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.609972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.609972 (E_RNA) where: Base-Base interactions energy: -976.419 where: short stacking energy: -454.305 Base-Backbone interact. energy: -1.604 local terms energy: -568.586557 where: bonds (distance) C4'-P energy: -125.572 bonds (distance) P-C4' energy: -122.674 flat angles C4'-P-C4' energy: -139.937 flat angles P-C4'-P energy: -88.285 tors. eta vs tors. theta energy: -92.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1268.964100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.964100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.964100 (E_RNA) where: Base-Base interactions energy: -774.728 where: short stacking energy: -385.587 Base-Backbone interact. energy: 2.129 local terms energy: -496.364829 where: bonds (distance) C4'-P energy: -125.696 bonds (distance) P-C4' energy: -123.621 flat angles C4'-P-C4' energy: -109.057 flat angles P-C4'-P energy: -68.664 tors. eta vs tors. theta energy: -69.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1203.924851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.924851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.924851 (E_RNA) where: Base-Base interactions energy: -722.628 where: short stacking energy: -335.939 Base-Backbone interact. energy: -2.684 local terms energy: -478.612700 where: bonds (distance) C4'-P energy: -102.483 bonds (distance) P-C4' energy: -132.255 flat angles C4'-P-C4' energy: -113.213 flat angles P-C4'-P energy: -82.164 tors. eta vs tors. theta energy: -48.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -959.649071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.649071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.649071 (E_RNA) where: Base-Base interactions energy: -531.040 where: short stacking energy: -272.920 Base-Backbone interact. energy: 3.460 local terms energy: -432.069137 where: bonds (distance) C4'-P energy: -113.322 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -68.313 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2585.858568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.858568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.858568 (E_RNA) where: Base-Base interactions energy: -1782.215 where: short stacking energy: -728.570 Base-Backbone interact. energy: -3.529 local terms energy: -800.113955 where: bonds (distance) C4'-P energy: -163.458 bonds (distance) P-C4' energy: -144.974 flat angles C4'-P-C4' energy: -168.296 flat angles P-C4'-P energy: -112.720 tors. eta vs tors. theta energy: -210.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2442.374437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.374437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.374437 (E_RNA) where: Base-Base interactions energy: -1653.753 where: short stacking energy: -723.599 Base-Backbone interact. energy: -2.907 local terms energy: -785.714240 where: bonds (distance) C4'-P energy: -150.681 bonds (distance) P-C4' energy: -166.967 flat angles C4'-P-C4' energy: -172.807 flat angles P-C4'-P energy: -104.524 tors. eta vs tors. theta energy: -190.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2286.054683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.054683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.054683 (E_RNA) where: Base-Base interactions energy: -1514.651 where: short stacking energy: -680.777 Base-Backbone interact. energy: -1.670 local terms energy: -769.733727 where: bonds (distance) C4'-P energy: -149.991 bonds (distance) P-C4' energy: -155.637 flat angles C4'-P-C4' energy: -166.432 flat angles P-C4'-P energy: -105.768 tors. eta vs tors. theta energy: -191.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2178.406183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.406183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.406183 (E_RNA) where: Base-Base interactions energy: -1470.754 where: short stacking energy: -632.218 Base-Backbone interact. energy: 0.123 local terms energy: -707.775669 where: bonds (distance) C4'-P energy: -127.691 bonds (distance) P-C4' energy: -135.604 flat angles C4'-P-C4' energy: -159.021 flat angles P-C4'-P energy: -108.203 tors. eta vs tors. theta energy: -177.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1934.666409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.666409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.666409 (E_RNA) where: Base-Base interactions energy: -1292.088 where: short stacking energy: -549.701 Base-Backbone interact. energy: 1.665 local terms energy: -644.242940 where: bonds (distance) C4'-P energy: -133.660 bonds (distance) P-C4' energy: -149.012 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -94.426 tors. eta vs tors. theta energy: -137.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1691.171899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.171899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.171899 (E_RNA) where: Base-Base interactions energy: -1083.993 where: short stacking energy: -507.340 Base-Backbone interact. energy: 2.748 local terms energy: -609.926543 where: bonds (distance) C4'-P energy: -136.685 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -125.980 flat angles P-C4'-P energy: -83.224 tors. eta vs tors. theta energy: -114.074 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: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1535.210592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.210592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.210592 (E_RNA) where: Base-Base interactions energy: -938.995 where: short stacking energy: -433.615 Base-Backbone interact. energy: -0.663 local terms energy: -595.552149 where: bonds (distance) C4'-P energy: -141.366 bonds (distance) P-C4' energy: -140.220 flat angles C4'-P-C4' energy: -143.415 flat angles P-C4'-P energy: -74.369 tors. eta vs tors. theta energy: -96.182 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: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1267.260212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.260212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.260212 (E_RNA) where: Base-Base interactions energy: -736.437 where: short stacking energy: -395.370 Base-Backbone interact. energy: 0.768 local terms energy: -531.591927 where: bonds (distance) C4'-P energy: -137.437 bonds (distance) P-C4' energy: -125.914 flat angles C4'-P-C4' energy: -132.146 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -63.568 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: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1214.900597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.900597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.900597 (E_RNA) where: Base-Base interactions energy: -694.483 where: short stacking energy: -329.456 Base-Backbone interact. energy: 1.042 local terms energy: -521.459169 where: bonds (distance) C4'-P energy: -117.867 bonds (distance) P-C4' energy: -149.845 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -100.356 tors. eta vs tors. theta energy: -42.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -960.809014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.809014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.809014 (E_RNA) where: Base-Base interactions energy: -514.069 where: short stacking energy: -265.547 Base-Backbone interact. energy: -0.362 local terms energy: -446.378582 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -8.994 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: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2593.653650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.653650 (E_RNA) where: Base-Base interactions energy: -1806.944 where: short stacking energy: -714.947 Base-Backbone interact. energy: 0.171 local terms energy: -786.880601 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -172.093 flat angles C4'-P-C4' energy: -172.084 flat angles P-C4'-P energy: -99.034 tors. eta vs tors. theta energy: -199.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2401.589188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.589188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.589188 (E_RNA) where: Base-Base interactions energy: -1618.478 where: short stacking energy: -695.940 Base-Backbone interact. energy: -2.693 local terms energy: -780.417939 where: bonds (distance) C4'-P energy: -160.153 bonds (distance) P-C4' energy: -133.371 flat angles C4'-P-C4' energy: -181.083 flat angles P-C4'-P energy: -115.824 tors. eta vs tors. theta energy: -189.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2285.140818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.140818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.140818 (E_RNA) where: Base-Base interactions energy: -1518.976 where: short stacking energy: -676.331 Base-Backbone interact. energy: -1.715 local terms energy: -764.449687 where: bonds (distance) C4'-P energy: -143.610 bonds (distance) P-C4' energy: -159.384 flat angles C4'-P-C4' energy: -166.093 flat angles P-C4'-P energy: -103.433 tors. eta vs tors. theta energy: -191.930 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2129.550222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.550222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.550222 (E_RNA) where: Base-Base interactions energy: -1441.220 where: short stacking energy: -642.387 Base-Backbone interact. energy: 0.695 local terms energy: -689.024849 where: bonds (distance) C4'-P energy: -137.101 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -97.333 tors. eta vs tors. theta energy: -164.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1947.687916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.687916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.687916 (E_RNA) where: Base-Base interactions energy: -1260.040 where: short stacking energy: -559.332 Base-Backbone interact. energy: -0.826 local terms energy: -686.822251 where: bonds (distance) C4'-P energy: -143.441 bonds (distance) P-C4' energy: -149.872 flat angles C4'-P-C4' energy: -168.994 flat angles P-C4'-P energy: -89.776 tors. eta vs tors. theta energy: -134.739 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: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1753.570387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.570387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.570387 (E_RNA) where: Base-Base interactions energy: -1155.056 where: short stacking energy: -543.106 Base-Backbone interact. energy: 1.336 local terms energy: -599.850003 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -141.211 flat angles C4'-P-C4' energy: -137.838 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: -122.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1563.127153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.127153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.127153 (E_RNA) where: Base-Base interactions energy: -956.786 where: short stacking energy: -454.254 Base-Backbone interact. energy: 2.735 local terms energy: -609.076485 where: bonds (distance) C4'-P energy: -134.327 bonds (distance) P-C4' energy: -156.475 flat angles C4'-P-C4' energy: -128.354 flat angles P-C4'-P energy: -97.770 tors. eta vs tors. theta energy: -92.150 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1206.949968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.949968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.949968 (E_RNA) where: Base-Base interactions energy: -730.873 where: short stacking energy: -359.564 Base-Backbone interact. energy: 0.133 local terms energy: -476.210037 where: bonds (distance) C4'-P energy: -110.759 bonds (distance) P-C4' energy: -129.180 flat angles C4'-P-C4' energy: -128.598 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -45.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1214.076661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.076661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.076661 (E_RNA) where: Base-Base interactions energy: -697.448 where: short stacking energy: -354.293 Base-Backbone interact. energy: -2.653 local terms energy: -513.975809 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -146.152 flat angles C4'-P-C4' energy: -128.566 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: -52.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -934.761339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.761339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.761339 (E_RNA) where: Base-Base interactions energy: -500.653 where: short stacking energy: -274.797 Base-Backbone interact. energy: 1.240 local terms energy: -435.348177 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -116.477 flat angles C4'-P-C4' energy: -125.514 flat angles P-C4'-P energy: -64.135 tors. eta vs tors. theta energy: -18.212 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: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2597.012904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.012904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.012904 (E_RNA) where: Base-Base interactions energy: -1780.496 where: short stacking energy: -748.033 Base-Backbone interact. energy: 0.244 local terms energy: -816.760900 where: bonds (distance) C4'-P energy: -168.910 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -171.807 flat angles P-C4'-P energy: -105.546 tors. eta vs tors. theta energy: -207.992 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: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2380.277828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.277828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.277828 (E_RNA) where: Base-Base interactions energy: -1627.786 where: short stacking energy: -703.474 Base-Backbone interact. energy: -4.083 local terms energy: -748.409548 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -103.527 tors. eta vs tors. theta energy: -193.830 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: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2299.252654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.252654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.252654 (E_RNA) where: Base-Base interactions energy: -1559.846 where: short stacking energy: -671.740 Base-Backbone interact. energy: -2.738 local terms energy: -736.668626 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -138.327 flat angles C4'-P-C4' energy: -167.100 flat angles P-C4'-P energy: -95.181 tors. eta vs tors. theta energy: -185.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2150.280679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.280679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.280679 (E_RNA) where: Base-Base interactions energy: -1412.837 where: short stacking energy: -624.597 Base-Backbone interact. energy: -0.454 local terms energy: -736.989725 where: bonds (distance) C4'-P energy: -139.575 bonds (distance) P-C4' energy: -121.217 flat angles C4'-P-C4' energy: -173.067 flat angles P-C4'-P energy: -124.748 tors. eta vs tors. theta energy: -178.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1988.069379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.069379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.069379 (E_RNA) where: Base-Base interactions energy: -1328.572 where: short stacking energy: -595.322 Base-Backbone interact. energy: -1.031 local terms energy: -658.465735 where: bonds (distance) C4'-P energy: -129.602 bonds (distance) P-C4' energy: -146.805 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -99.437 tors. eta vs tors. theta energy: -127.410 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: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1826.851425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.851425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.851425 (E_RNA) where: Base-Base interactions energy: -1190.694 where: short stacking energy: -533.612 Base-Backbone interact. energy: 0.318 local terms energy: -636.475411 where: bonds (distance) C4'-P energy: -123.447 bonds (distance) P-C4' energy: -131.328 flat angles C4'-P-C4' energy: -156.848 flat angles P-C4'-P energy: -104.707 tors. eta vs tors. theta energy: -120.145 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: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1521.483870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.483870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.483870 (E_RNA) where: Base-Base interactions energy: -952.078 where: short stacking energy: -455.577 Base-Backbone interact. energy: -3.114 local terms energy: -566.291697 where: bonds (distance) C4'-P energy: -116.850 bonds (distance) P-C4' energy: -137.585 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -82.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1373.486944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.486944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.486944 (E_RNA) where: Base-Base interactions energy: -820.696 where: short stacking energy: -410.047 Base-Backbone interact. energy: -1.394 local terms energy: -551.397599 where: bonds (distance) C4'-P energy: -122.280 bonds (distance) P-C4' energy: -136.176 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -81.997 tors. eta vs tors. theta energy: -75.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1197.428117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.428117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.428117 (E_RNA) where: Base-Base interactions energy: -667.548 where: short stacking energy: -326.622 Base-Backbone interact. energy: -2.546 local terms energy: -527.334553 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -125.147 flat angles P-C4'-P energy: -84.486 tors. eta vs tors. theta energy: -62.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -954.345783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.345783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.345783 (E_RNA) where: Base-Base interactions energy: -514.935 where: short stacking energy: -266.244 Base-Backbone interact. energy: 4.586 local terms energy: -443.997337 where: bonds (distance) C4'-P energy: -123.080 bonds (distance) P-C4' energy: -127.793 flat angles C4'-P-C4' energy: -114.645 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2595.776165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.776165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.776165 (E_RNA) where: Base-Base interactions energy: -1797.018 where: short stacking energy: -726.003 Base-Backbone interact. energy: -2.642 local terms energy: -796.115393 where: bonds (distance) C4'-P energy: -158.523 bonds (distance) P-C4' energy: -148.037 flat angles C4'-P-C4' energy: -181.097 flat angles P-C4'-P energy: -100.545 tors. eta vs tors. theta energy: -207.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2402.244808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.244808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.244808 (E_RNA) where: Base-Base interactions energy: -1659.590 where: short stacking energy: -697.040 Base-Backbone interact. energy: -3.118 local terms energy: -739.536852 where: bonds (distance) C4'-P energy: -155.864 bonds (distance) P-C4' energy: -146.479 flat angles C4'-P-C4' energy: -153.725 flat angles P-C4'-P energy: -95.601 tors. eta vs tors. theta energy: -187.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2260.232132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.232132 (E_RNA) where: Base-Base interactions energy: -1504.006 where: short stacking energy: -641.574 Base-Backbone interact. energy: -4.262 local terms energy: -751.963687 where: bonds (distance) C4'-P energy: -151.836 bonds (distance) P-C4' energy: -143.055 flat angles C4'-P-C4' energy: -172.342 flat angles P-C4'-P energy: -108.871 tors. eta vs tors. theta energy: -175.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2087.902072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.902072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.902072 (E_RNA) where: Base-Base interactions energy: -1443.168 where: short stacking energy: -576.420 Base-Backbone interact. energy: 0.098 local terms energy: -644.832095 where: bonds (distance) C4'-P energy: -132.474 bonds (distance) P-C4' energy: -136.170 flat angles C4'-P-C4' energy: -150.196 flat angles P-C4'-P energy: -82.398 tors. eta vs tors. theta energy: -143.594 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: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1950.679492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.679492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.679492 (E_RNA) where: Base-Base interactions energy: -1310.414 where: short stacking energy: -564.042 Base-Backbone interact. energy: 0.442 local terms energy: -640.707027 where: bonds (distance) C4'-P energy: -141.302 bonds (distance) P-C4' energy: -135.068 flat angles C4'-P-C4' energy: -145.974 flat angles P-C4'-P energy: -90.603 tors. eta vs tors. theta energy: -127.759 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: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1732.386610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.386610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.386610 (E_RNA) where: Base-Base interactions energy: -1143.294 where: short stacking energy: -515.136 Base-Backbone interact. energy: -0.520 local terms energy: -588.572626 where: bonds (distance) C4'-P energy: -118.063 bonds (distance) P-C4' energy: -123.715 flat angles C4'-P-C4' energy: -148.284 flat angles P-C4'-P energy: -96.628 tors. eta vs tors. theta energy: -101.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1538.987507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.987507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.987507 (E_RNA) where: Base-Base interactions energy: -963.277 where: short stacking energy: -440.289 Base-Backbone interact. energy: -0.528 local terms energy: -575.183368 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -138.119 flat angles P-C4'-P energy: -92.355 tors. eta vs tors. theta energy: -83.699 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: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1341.729021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.729021 (E_RNA) where: Base-Base interactions energy: -806.504 where: short stacking energy: -401.850 Base-Backbone interact. energy: 3.665 local terms energy: -538.890799 where: bonds (distance) C4'-P energy: -137.362 bonds (distance) P-C4' energy: -133.833 flat angles C4'-P-C4' energy: -133.171 flat angles P-C4'-P energy: -71.605 tors. eta vs tors. theta energy: -62.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1140.970838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.970838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.970838 (E_RNA) where: Base-Base interactions energy: -712.376 where: short stacking energy: -325.532 Base-Backbone interact. energy: 7.337 local terms energy: -435.932651 where: bonds (distance) C4'-P energy: -98.756 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -102.136 flat angles P-C4'-P energy: -69.671 tors. eta vs tors. theta energy: -40.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -990.283833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.283833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.283833 (E_RNA) where: Base-Base interactions energy: -540.288 where: short stacking energy: -266.788 Base-Backbone interact. energy: 3.865 local terms energy: -453.861026 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -120.437 flat angles P-C4'-P energy: -74.644 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2602.889471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.889471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.889471 (E_RNA) where: Base-Base interactions energy: -1805.837 where: short stacking energy: -735.528 Base-Backbone interact. energy: -4.400 local terms energy: -792.652369 where: bonds (distance) C4'-P energy: -156.118 bonds (distance) P-C4' energy: -145.848 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -111.606 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: 2, replica: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2405.400139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.400139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.400139 (E_RNA) where: Base-Base interactions energy: -1642.896 where: short stacking energy: -714.084 Base-Backbone interact. energy: -3.696 local terms energy: -758.808945 where: bonds (distance) C4'-P energy: -149.383 bonds (distance) P-C4' energy: -153.545 flat angles C4'-P-C4' energy: -165.814 flat angles P-C4'-P energy: -100.775 tors. eta vs tors. theta energy: -189.292 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2278.247576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.247576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.247576 (E_RNA) where: Base-Base interactions energy: -1519.623 where: short stacking energy: -668.902 Base-Backbone interact. energy: -3.735 local terms energy: -754.889547 where: bonds (distance) C4'-P energy: -145.239 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -179.343 flat angles P-C4'-P energy: -91.593 tors. eta vs tors. theta energy: -188.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2162.233274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.233274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.233274 (E_RNA) where: Base-Base interactions energy: -1426.336 where: short stacking energy: -607.070 Base-Backbone interact. energy: -3.311 local terms energy: -732.586584 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -166.350 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -173.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1923.946445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.946445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.946445 (E_RNA) where: Base-Base interactions energy: -1299.801 where: short stacking energy: -545.676 Base-Backbone interact. energy: 0.199 local terms energy: -624.343936 where: bonds (distance) C4'-P energy: -124.006 bonds (distance) P-C4' energy: -138.862 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -100.242 tors. eta vs tors. theta energy: -127.187 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1785.752724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.752724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.752724 (E_RNA) where: Base-Base interactions energy: -1170.517 where: short stacking energy: -525.712 Base-Backbone interact. energy: -3.888 local terms energy: -611.348009 where: bonds (distance) C4'-P energy: -130.634 bonds (distance) P-C4' energy: -136.264 flat angles C4'-P-C4' energy: -131.393 flat angles P-C4'-P energy: -90.019 tors. eta vs tors. theta energy: -123.038 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: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1581.201795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.201795 (E_RNA) where: Base-Base interactions energy: -994.514 where: short stacking energy: -456.985 Base-Backbone interact. energy: 0.836 local terms energy: -587.524375 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -136.611 flat angles C4'-P-C4' energy: -146.335 flat angles P-C4'-P energy: -87.699 tors. eta vs tors. theta energy: -93.892 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: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1393.589941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.589941 (E_RNA) where: Base-Base interactions energy: -836.354 where: short stacking energy: -407.825 Base-Backbone interact. energy: -1.894 local terms energy: -555.341433 where: bonds (distance) C4'-P energy: -139.185 bonds (distance) P-C4' energy: -114.663 flat angles C4'-P-C4' energy: -141.048 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -72.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1050.894162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.894162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.894162 (E_RNA) where: Base-Base interactions energy: -612.472 where: short stacking energy: -291.565 Base-Backbone interact. energy: 0.487 local terms energy: -438.909326 where: bonds (distance) C4'-P energy: -115.876 bonds (distance) P-C4' energy: -115.311 flat angles C4'-P-C4' energy: -104.475 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -25.924 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: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -937.412058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.412058 (E_RNA) where: Base-Base interactions energy: -478.981 where: short stacking energy: -230.230 Base-Backbone interact. energy: 3.503 local terms energy: -461.934481 where: bonds (distance) C4'-P energy: -113.729 bonds (distance) P-C4' energy: -141.207 flat angles C4'-P-C4' energy: -104.756 flat angles P-C4'-P energy: -73.869 tors. eta vs tors. theta energy: -28.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2648.675629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.675629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.675629 (E_RNA) where: Base-Base interactions energy: -1835.827 where: short stacking energy: -740.090 Base-Backbone interact. energy: -3.038 local terms energy: -809.811089 where: bonds (distance) C4'-P energy: -162.655 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -170.995 flat angles P-C4'-P energy: -109.824 tors. eta vs tors. theta energy: -203.843 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: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2424.700551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.700551 (E_RNA) where: Base-Base interactions energy: -1631.266 where: short stacking energy: -705.499 Base-Backbone interact. energy: -3.304 local terms energy: -790.129764 where: bonds (distance) C4'-P energy: -148.974 bonds (distance) P-C4' energy: -147.655 flat angles C4'-P-C4' energy: -171.874 flat angles P-C4'-P energy: -122.768 tors. eta vs tors. theta energy: -198.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2275.798519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.798519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.798519 (E_RNA) where: Base-Base interactions energy: -1540.280 where: short stacking energy: -679.610 Base-Backbone interact. energy: -1.344 local terms energy: -734.174621 where: bonds (distance) C4'-P energy: -133.308 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -171.882 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -173.900 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: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2090.919148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.919148 (E_RNA) where: Base-Base interactions energy: -1394.521 where: short stacking energy: -613.253 Base-Backbone interact. energy: 0.791 local terms energy: -697.188896 where: bonds (distance) C4'-P energy: -143.439 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -159.278 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -176.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1939.900796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.900796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.900796 (E_RNA) where: Base-Base interactions energy: -1309.085 where: short stacking energy: -558.037 Base-Backbone interact. energy: -3.836 local terms energy: -626.979716 where: bonds (distance) C4'-P energy: -122.457 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -83.587 tors. eta vs tors. theta energy: -127.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1676.227898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.227898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.227898 (E_RNA) where: Base-Base interactions energy: -1087.936 where: short stacking energy: -484.449 Base-Backbone interact. energy: 0.827 local terms energy: -589.119049 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -147.860 flat angles C4'-P-C4' energy: -139.296 flat angles P-C4'-P energy: -82.426 tors. eta vs tors. theta energy: -95.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1581.021595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.021595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.021595 (E_RNA) where: Base-Base interactions energy: -971.655 where: short stacking energy: -445.983 Base-Backbone interact. energy: 4.709 local terms energy: -614.076042 where: bonds (distance) C4'-P energy: -141.209 bonds (distance) P-C4' energy: -135.324 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -95.913 tors. eta vs tors. theta energy: -90.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1344.452862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.452862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.452862 (E_RNA) where: Base-Base interactions energy: -799.489 where: short stacking energy: -373.533 Base-Backbone interact. energy: -3.646 local terms energy: -541.318084 where: bonds (distance) C4'-P energy: -120.620 bonds (distance) P-C4' energy: -136.575 flat angles C4'-P-C4' energy: -129.174 flat angles P-C4'-P energy: -83.995 tors. eta vs tors. theta energy: -70.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1079.936587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.936587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.936587 (E_RNA) where: Base-Base interactions energy: -573.703 where: short stacking energy: -292.980 Base-Backbone interact. energy: -2.505 local terms energy: -503.728747 where: bonds (distance) C4'-P energy: -114.278 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -133.229 flat angles P-C4'-P energy: -84.975 tors. eta vs tors. theta energy: -29.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -929.023683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.023683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.023683 (E_RNA) where: Base-Base interactions energy: -491.727 where: short stacking energy: -267.906 Base-Backbone interact. energy: 4.892 local terms energy: -442.187745 where: bonds (distance) C4'-P energy: -118.362 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: -18.974 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: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2614.621934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.621934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.621934 (E_RNA) where: Base-Base interactions energy: -1823.629 where: short stacking energy: -729.394 Base-Backbone interact. energy: -4.090 local terms energy: -786.903131 where: bonds (distance) C4'-P energy: -157.532 bonds (distance) P-C4' energy: -162.385 flat angles C4'-P-C4' energy: -168.607 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -199.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2400.841443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.841443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.841443 (E_RNA) where: Base-Base interactions energy: -1637.051 where: short stacking energy: -716.489 Base-Backbone interact. energy: -2.605 local terms energy: -761.185364 where: bonds (distance) C4'-P energy: -136.381 bonds (distance) P-C4' energy: -152.730 flat angles C4'-P-C4' energy: -159.332 flat angles P-C4'-P energy: -116.910 tors. eta vs tors. theta energy: -195.832 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: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2244.158609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.158609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.158609 (E_RNA) where: Base-Base interactions energy: -1525.362 where: short stacking energy: -625.640 Base-Backbone interact. energy: -3.207 local terms energy: -715.590235 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -151.339 flat angles P-C4'-P energy: -107.068 tors. eta vs tors. theta energy: -165.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2122.659030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.659030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.659030 (E_RNA) where: Base-Base interactions energy: -1410.756 where: short stacking energy: -607.706 Base-Backbone interact. energy: -3.750 local terms energy: -708.153504 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -150.798 flat angles P-C4'-P energy: -109.134 tors. eta vs tors. theta energy: -153.325 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: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2007.289169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.289169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.289169 (E_RNA) where: Base-Base interactions energy: -1334.840 where: short stacking energy: -561.355 Base-Backbone interact. energy: -1.117 local terms energy: -671.332124 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -140.929 flat angles C4'-P-C4' energy: -156.902 flat angles P-C4'-P energy: -103.569 tors. eta vs tors. theta energy: -131.653 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: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1764.199927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.199927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.199927 (E_RNA) where: Base-Base interactions energy: -1102.627 where: short stacking energy: -528.332 Base-Backbone interact. energy: 0.513 local terms energy: -662.085541 where: bonds (distance) C4'-P energy: -145.683 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -94.907 tors. eta vs tors. theta energy: -116.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1654.383727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.383727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.383727 (E_RNA) where: Base-Base interactions energy: -1058.671 where: short stacking energy: -523.358 Base-Backbone interact. energy: -2.010 local terms energy: -593.702568 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -102.811 tors. eta vs tors. theta energy: -122.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1363.061309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.061309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.061309 (E_RNA) where: Base-Base interactions energy: -830.868 where: short stacking energy: -403.712 Base-Backbone interact. energy: 1.691 local terms energy: -533.884968 where: bonds (distance) C4'-P energy: -124.917 bonds (distance) P-C4' energy: -112.892 flat angles C4'-P-C4' energy: -132.002 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -70.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1089.309839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.309839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.309839 (E_RNA) where: Base-Base interactions energy: -617.131 where: short stacking energy: -329.140 Base-Backbone interact. energy: 0.431 local terms energy: -472.609802 where: bonds (distance) C4'-P energy: -136.775 bonds (distance) P-C4' energy: -106.075 flat angles C4'-P-C4' energy: -101.556 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -52.095 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: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -844.421032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.421032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.421032 (E_RNA) where: Base-Base interactions energy: -437.382 where: short stacking energy: -228.065 Base-Backbone interact. energy: 4.117 local terms energy: -411.156480 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -141.211 flat angles C4'-P-C4' energy: -121.658 flat angles P-C4'-P energy: -46.858 tors. eta vs tors. theta energy: 5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2596.188843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.188843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.188843 (E_RNA) where: Base-Base interactions energy: -1796.384 where: short stacking energy: -768.708 Base-Backbone interact. energy: -5.547 local terms energy: -794.258153 where: bonds (distance) C4'-P energy: -152.438 bonds (distance) P-C4' energy: -153.656 flat angles C4'-P-C4' energy: -166.623 flat angles P-C4'-P energy: -105.621 tors. eta vs tors. theta energy: -215.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2418.305270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.305270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.305270 (E_RNA) where: Base-Base interactions energy: -1622.360 where: short stacking energy: -715.481 Base-Backbone interact. energy: -3.827 local terms energy: -792.118855 where: bonds (distance) C4'-P energy: -152.804 bonds (distance) P-C4' energy: -152.024 flat angles C4'-P-C4' energy: -171.972 flat angles P-C4'-P energy: -113.565 tors. eta vs tors. theta energy: -201.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2248.737767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.737767 (E_RNA) where: Base-Base interactions energy: -1542.466 where: short stacking energy: -702.705 Base-Backbone interact. energy: -2.652 local terms energy: -703.619517 where: bonds (distance) C4'-P energy: -121.004 bonds (distance) P-C4' energy: -133.897 flat angles C4'-P-C4' energy: -161.903 flat angles P-C4'-P energy: -102.123 tors. eta vs tors. theta energy: -184.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2203.243239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.243239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.243239 (E_RNA) where: Base-Base interactions energy: -1494.172 where: short stacking energy: -670.985 Base-Backbone interact. energy: -6.228 local terms energy: -702.842689 where: bonds (distance) C4'-P energy: -152.770 bonds (distance) P-C4' energy: -136.396 flat angles C4'-P-C4' energy: -155.424 flat angles P-C4'-P energy: -79.518 tors. eta vs tors. theta energy: -178.735 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: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2042.053027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.053027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.053027 (E_RNA) where: Base-Base interactions energy: -1377.203 where: short stacking energy: -571.842 Base-Backbone interact. energy: 1.301 local terms energy: -666.151023 where: bonds (distance) C4'-P energy: -138.710 bonds (distance) P-C4' energy: -139.006 flat angles C4'-P-C4' energy: -145.770 flat angles P-C4'-P energy: -110.764 tors. eta vs tors. theta energy: -131.901 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: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1719.274191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.274191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.274191 (E_RNA) where: Base-Base interactions energy: -1112.574 where: short stacking energy: -509.544 Base-Backbone interact. energy: -1.499 local terms energy: -605.200479 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -116.409 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -126.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1648.851172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.851172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.851172 (E_RNA) where: Base-Base interactions energy: -1087.416 where: short stacking energy: -476.231 Base-Backbone interact. energy: 0.007 local terms energy: -561.442254 where: bonds (distance) C4'-P energy: -132.993 bonds (distance) P-C4' energy: -113.056 flat angles C4'-P-C4' energy: -128.913 flat angles P-C4'-P energy: -82.725 tors. eta vs tors. theta energy: -103.756 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: 90 Temperature: 1.250000 Total energy: -1401.002000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.002000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.002000 (E_RNA) where: Base-Base interactions energy: -869.522 where: short stacking energy: -410.134 Base-Backbone interact. energy: -3.836 local terms energy: -527.643796 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -133.046 flat angles C4'-P-C4' energy: -113.290 flat angles P-C4'-P energy: -94.108 tors. eta vs tors. theta energy: -72.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -965.059435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.059435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.059435 (E_RNA) where: Base-Base interactions energy: -502.446 where: short stacking energy: -266.839 Base-Backbone interact. energy: -1.069 local terms energy: -461.544152 where: bonds (distance) C4'-P energy: -120.853 bonds (distance) P-C4' energy: -134.168 flat angles C4'-P-C4' energy: -113.057 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -20.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -937.048024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.048024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.048024 (E_RNA) where: Base-Base interactions energy: -484.504 where: short stacking energy: -265.716 Base-Backbone interact. energy: 7.913 local terms energy: -460.456148 where: bonds (distance) C4'-P energy: -122.788 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -123.739 flat angles P-C4'-P energy: -60.199 tors. eta vs tors. theta energy: -10.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2577.148548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.148548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.148548 (E_RNA) where: Base-Base interactions energy: -1760.607 where: short stacking energy: -734.977 Base-Backbone interact. energy: -2.988 local terms energy: -813.553914 where: bonds (distance) C4'-P energy: -162.283 bonds (distance) P-C4' energy: -158.280 flat angles C4'-P-C4' energy: -169.124 flat angles P-C4'-P energy: -116.731 tors. eta vs tors. theta energy: -207.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2437.279768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.279768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.279768 (E_RNA) where: Base-Base interactions energy: -1661.212 where: short stacking energy: -739.865 Base-Backbone interact. energy: -3.377 local terms energy: -772.690007 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -163.391 flat angles C4'-P-C4' energy: -165.775 flat angles P-C4'-P energy: -115.879 tors. eta vs tors. theta energy: -196.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2274.781343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.781343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.781343 (E_RNA) where: Base-Base interactions energy: -1497.280 where: short stacking energy: -653.673 Base-Backbone interact. energy: -1.332 local terms energy: -776.169452 where: bonds (distance) C4'-P energy: -155.126 bonds (distance) P-C4' energy: -146.504 flat angles C4'-P-C4' energy: -169.420 flat angles P-C4'-P energy: -122.807 tors. eta vs tors. theta energy: -182.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2169.489446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.489446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.489446 (E_RNA) where: Base-Base interactions energy: -1459.386 where: short stacking energy: -642.138 Base-Backbone interact. energy: -3.328 local terms energy: -706.775592 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -166.352 flat angles P-C4'-P energy: -116.484 tors. eta vs tors. theta energy: -183.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2018.958244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.958244 (E_RNA) where: Base-Base interactions energy: -1359.869 where: short stacking energy: -617.726 Base-Backbone interact. energy: 3.616 local terms energy: -662.705596 where: bonds (distance) C4'-P energy: -129.814 bonds (distance) P-C4' energy: -154.416 flat angles C4'-P-C4' energy: -129.573 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: -162.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1775.012296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.012296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.012296 (E_RNA) where: Base-Base interactions energy: -1158.402 where: short stacking energy: -523.010 Base-Backbone interact. energy: -5.183 local terms energy: -611.427301 where: bonds (distance) C4'-P energy: -100.023 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -147.874 flat angles P-C4'-P energy: -106.196 tors. eta vs tors. theta energy: -122.684 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: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1661.569836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.569836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.569836 (E_RNA) where: Base-Base interactions energy: -1087.912 where: short stacking energy: -500.574 Base-Backbone interact. energy: 3.003 local terms energy: -576.660946 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -124.783 flat angles C4'-P-C4' energy: -130.785 flat angles P-C4'-P energy: -86.674 tors. eta vs tors. theta energy: -102.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1434.477536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.477536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.477536 (E_RNA) where: Base-Base interactions energy: -895.895 where: short stacking energy: -399.066 Base-Backbone interact. energy: -0.597 local terms energy: -537.985530 where: bonds (distance) C4'-P energy: -115.196 bonds (distance) P-C4' energy: -129.428 flat angles C4'-P-C4' energy: -148.901 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -76.813 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: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -950.397599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.397599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.397599 (E_RNA) where: Base-Base interactions energy: -519.598 where: short stacking energy: -276.640 Base-Backbone interact. energy: -0.688 local terms energy: -430.110669 where: bonds (distance) C4'-P energy: -125.743 bonds (distance) P-C4' energy: -134.416 flat angles C4'-P-C4' energy: -115.095 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -922.187497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.187497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.187497 (E_RNA) where: Base-Base interactions energy: -502.270 where: short stacking energy: -248.055 Base-Backbone interact. energy: -3.442 local terms energy: -416.475893 where: bonds (distance) C4'-P energy: -129.838 bonds (distance) P-C4' energy: -129.720 flat angles C4'-P-C4' energy: -104.061 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: 3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2636.519999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.519999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.519999 (E_RNA) where: Base-Base interactions energy: -1783.265 where: short stacking energy: -746.145 Base-Backbone interact. energy: -4.527 local terms energy: -848.728806 where: bonds (distance) C4'-P energy: -171.324 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -179.704 flat angles P-C4'-P energy: -126.200 tors. eta vs tors. theta energy: -212.635 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: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2400.569075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.569075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.569075 (E_RNA) where: Base-Base interactions energy: -1654.881 where: short stacking energy: -727.437 Base-Backbone interact. energy: -3.518 local terms energy: -742.170851 where: bonds (distance) C4'-P energy: -135.072 bonds (distance) P-C4' energy: -144.909 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -199.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2325.754822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.754822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.754822 (E_RNA) where: Base-Base interactions energy: -1547.624 where: short stacking energy: -706.918 Base-Backbone interact. energy: -3.106 local terms energy: -775.025166 where: bonds (distance) C4'-P energy: -146.043 bonds (distance) P-C4' energy: -164.327 flat angles C4'-P-C4' energy: -160.269 flat angles P-C4'-P energy: -105.801 tors. eta vs tors. theta energy: -198.585 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: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2174.430638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.430638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.430638 (E_RNA) where: Base-Base interactions energy: -1483.692 where: short stacking energy: -615.613 Base-Backbone interact. energy: -3.366 local terms energy: -687.372302 where: bonds (distance) C4'-P energy: -141.791 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -162.859 flat angles P-C4'-P energy: -101.790 tors. eta vs tors. theta energy: -163.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1971.150156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.150156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.150156 (E_RNA) where: Base-Base interactions energy: -1343.443 where: short stacking energy: -602.407 Base-Backbone interact. energy: -0.811 local terms energy: -626.896208 where: bonds (distance) C4'-P energy: -130.143 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -136.505 flat angles P-C4'-P energy: -90.517 tors. eta vs tors. theta energy: -141.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1751.589278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.589278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.589278 (E_RNA) where: Base-Base interactions energy: -1140.501 where: short stacking energy: -509.727 Base-Backbone interact. energy: -2.561 local terms energy: -608.527746 where: bonds (distance) C4'-P energy: -138.751 bonds (distance) P-C4' energy: -137.335 flat angles C4'-P-C4' energy: -141.608 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -95.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1627.477458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.477458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.477458 (E_RNA) where: Base-Base interactions energy: -1031.644 where: short stacking energy: -473.712 Base-Backbone interact. energy: 3.716 local terms energy: -599.550136 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -135.387 flat angles C4'-P-C4' energy: -148.795 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -108.894 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: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1461.186783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.186783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.186783 (E_RNA) where: Base-Base interactions energy: -943.484 where: short stacking energy: -414.704 Base-Backbone interact. energy: -0.461 local terms energy: -517.242422 where: bonds (distance) C4'-P energy: -136.187 bonds (distance) P-C4' energy: -106.869 flat angles C4'-P-C4' energy: -120.273 flat angles P-C4'-P energy: -84.220 tors. eta vs tors. theta energy: -69.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1003.304321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.304321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.304321 (E_RNA) where: Base-Base interactions energy: -539.591 where: short stacking energy: -303.111 Base-Backbone interact. energy: -0.296 local terms energy: -463.417393 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -133.713 flat angles C4'-P-C4' energy: -130.815 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -16.770 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: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -868.300499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.300499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.300499 (E_RNA) where: Base-Base interactions energy: -434.916 where: short stacking energy: -209.603 Base-Backbone interact. energy: 0.950 local terms energy: -434.334720 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -100.908 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -0.574 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: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2652.663165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.663165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.663165 (E_RNA) where: Base-Base interactions energy: -1840.710 where: short stacking energy: -783.282 Base-Backbone interact. energy: -1.363 local terms energy: -810.590415 where: bonds (distance) C4'-P energy: -157.150 bonds (distance) P-C4' energy: -148.974 flat angles C4'-P-C4' energy: -177.298 flat angles P-C4'-P energy: -120.741 tors. eta vs tors. theta energy: -206.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2359.171421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.171421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.171421 (E_RNA) where: Base-Base interactions energy: -1588.056 where: short stacking energy: -696.533 Base-Backbone interact. energy: -3.137 local terms energy: -767.978639 where: bonds (distance) C4'-P energy: -149.846 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -169.117 flat angles P-C4'-P energy: -114.237 tors. eta vs tors. theta energy: -194.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2311.318063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.318063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.318063 (E_RNA) where: Base-Base interactions energy: -1561.139 where: short stacking energy: -676.640 Base-Backbone interact. energy: -5.593 local terms energy: -744.585929 where: bonds (distance) C4'-P energy: -152.340 bonds (distance) P-C4' energy: -136.274 flat angles C4'-P-C4' energy: -171.828 flat angles P-C4'-P energy: -105.755 tors. eta vs tors. theta energy: -178.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2150.497730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.497730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.497730 (E_RNA) where: Base-Base interactions energy: -1427.797 where: short stacking energy: -657.721 Base-Backbone interact. energy: 2.142 local terms energy: -724.842430 where: bonds (distance) C4'-P energy: -147.155 bonds (distance) P-C4' energy: -137.202 flat angles C4'-P-C4' energy: -160.637 flat angles P-C4'-P energy: -110.850 tors. eta vs tors. theta energy: -168.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2015.527352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.527352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.527352 (E_RNA) where: Base-Base interactions energy: -1363.086 where: short stacking energy: -569.136 Base-Backbone interact. energy: -1.412 local terms energy: -651.029710 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -139.523 flat angles C4'-P-C4' energy: -149.392 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -127.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1765.371127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.371127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.371127 (E_RNA) where: Base-Base interactions energy: -1164.252 where: short stacking energy: -490.921 Base-Backbone interact. energy: -1.885 local terms energy: -599.233634 where: bonds (distance) C4'-P energy: -134.374 bonds (distance) P-C4' energy: -143.481 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -106.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1677.721948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.721948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.721948 (E_RNA) where: Base-Base interactions energy: -1095.046 where: short stacking energy: -490.779 Base-Backbone interact. energy: 0.068 local terms energy: -582.744262 where: bonds (distance) C4'-P energy: -123.939 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -139.297 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -117.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1504.465202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.465202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.465202 (E_RNA) where: Base-Base interactions energy: -970.033 where: short stacking energy: -456.886 Base-Backbone interact. energy: -1.249 local terms energy: -533.183163 where: bonds (distance) C4'-P energy: -124.938 bonds (distance) P-C4' energy: -137.860 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -85.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -953.483145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.483145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.483145 (E_RNA) where: Base-Base interactions energy: -484.664 where: short stacking energy: -270.965 Base-Backbone interact. energy: 2.397 local terms energy: -471.215893 where: bonds (distance) C4'-P energy: -119.577 bonds (distance) P-C4' energy: -151.818 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -65.193 tors. eta vs tors. theta energy: -14.659 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -866.242377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.242377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.242377 (E_RNA) where: Base-Base interactions energy: -439.701 where: short stacking energy: -237.558 Base-Backbone interact. energy: -0.486 local terms energy: -426.055064 where: bonds (distance) C4'-P energy: -124.398 bonds (distance) P-C4' energy: -123.787 flat angles C4'-P-C4' energy: -103.291 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -12.158 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: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2597.458868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.458868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.458868 (E_RNA) where: Base-Base interactions energy: -1803.443 where: short stacking energy: -728.712 Base-Backbone interact. energy: -1.126 local terms energy: -792.890487 where: bonds (distance) C4'-P energy: -157.635 bonds (distance) P-C4' energy: -141.477 flat angles C4'-P-C4' energy: -178.860 flat angles P-C4'-P energy: -109.742 tors. eta vs tors. theta energy: -205.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2434.085816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.085816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.085816 (E_RNA) where: Base-Base interactions energy: -1676.885 where: short stacking energy: -721.260 Base-Backbone interact. energy: -0.366 local terms energy: -756.834584 where: bonds (distance) C4'-P energy: -141.557 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -169.437 flat angles P-C4'-P energy: -105.320 tors. eta vs tors. theta energy: -197.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2280.619724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.619724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.619724 (E_RNA) where: Base-Base interactions energy: -1528.294 where: short stacking energy: -683.258 Base-Backbone interact. energy: -2.976 local terms energy: -749.349216 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -142.211 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -111.853 tors. eta vs tors. theta energy: -182.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2185.379171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.379171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.379171 (E_RNA) where: Base-Base interactions energy: -1463.840 where: short stacking energy: -626.566 Base-Backbone interact. energy: -1.742 local terms energy: -719.797412 where: bonds (distance) C4'-P energy: -147.085 bonds (distance) P-C4' energy: -137.488 flat angles C4'-P-C4' energy: -160.013 flat angles P-C4'-P energy: -102.165 tors. eta vs tors. theta energy: -173.046 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: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2019.268054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.268054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.268054 (E_RNA) where: Base-Base interactions energy: -1346.133 where: short stacking energy: -592.033 Base-Backbone interact. energy: -5.810 local terms energy: -667.324389 where: bonds (distance) C4'-P energy: -147.909 bonds (distance) P-C4' energy: -135.983 flat angles C4'-P-C4' energy: -138.367 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -148.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1786.498333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.498333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.498333 (E_RNA) where: Base-Base interactions energy: -1191.231 where: short stacking energy: -538.825 Base-Backbone interact. energy: 2.612 local terms energy: -597.878852 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -125.373 flat angles C4'-P-C4' energy: -133.758 flat angles P-C4'-P energy: -96.400 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: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1695.162827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.162827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.162827 (E_RNA) where: Base-Base interactions energy: -1096.845 where: short stacking energy: -496.842 Base-Backbone interact. energy: -3.715 local terms energy: -594.603475 where: bonds (distance) C4'-P energy: -128.253 bonds (distance) P-C4' energy: -139.671 flat angles C4'-P-C4' energy: -135.475 flat angles P-C4'-P energy: -86.418 tors. eta vs tors. theta energy: -104.786 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: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1484.840006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.840006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.840006 (E_RNA) where: Base-Base interactions energy: -923.123 where: short stacking energy: -415.891 Base-Backbone interact. energy: -1.772 local terms energy: -559.945918 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -142.723 flat angles C4'-P-C4' energy: -135.530 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -81.492 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: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -948.645517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.645517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.645517 (E_RNA) where: Base-Base interactions energy: -514.303 where: short stacking energy: -269.107 Base-Backbone interact. energy: 2.979 local terms energy: -437.321603 where: bonds (distance) C4'-P energy: -123.440 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -111.819 flat angles P-C4'-P energy: -61.658 tors. eta vs tors. theta energy: -22.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -873.141562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.141562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.141562 (E_RNA) where: Base-Base interactions energy: -461.790 where: short stacking energy: -257.090 Base-Backbone interact. energy: 4.322 local terms energy: -415.674202 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -128.921 flat angles C4'-P-C4' energy: -90.951 flat angles P-C4'-P energy: -69.462 tors. eta vs tors. theta energy: -15.686 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: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2569.597605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.597605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.597605 (E_RNA) where: Base-Base interactions energy: -1778.856 where: short stacking energy: -748.577 Base-Backbone interact. energy: -2.146 local terms energy: -788.595841 where: bonds (distance) C4'-P energy: -157.869 bonds (distance) P-C4' energy: -149.443 flat angles C4'-P-C4' energy: -171.077 flat angles P-C4'-P energy: -103.068 tors. eta vs tors. theta energy: -207.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2421.827247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.827247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.827247 (E_RNA) where: Base-Base interactions energy: -1661.155 where: short stacking energy: -731.858 Base-Backbone interact. energy: -2.628 local terms energy: -758.043978 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -135.647 flat angles C4'-P-C4' energy: -164.891 flat angles P-C4'-P energy: -107.176 tors. eta vs tors. theta energy: -201.816 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: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2339.015368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.015368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.015368 (E_RNA) where: Base-Base interactions energy: -1570.111 where: short stacking energy: -684.441 Base-Backbone interact. energy: -1.012 local terms energy: -767.892287 where: bonds (distance) C4'-P energy: -141.114 bonds (distance) P-C4' energy: -152.261 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -109.642 tors. eta vs tors. theta energy: -196.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2142.720375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.720375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.720375 (E_RNA) where: Base-Base interactions energy: -1419.342 where: short stacking energy: -639.233 Base-Backbone interact. energy: -6.449 local terms energy: -716.929820 where: bonds (distance) C4'-P energy: -141.512 bonds (distance) P-C4' energy: -145.949 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -99.150 tors. eta vs tors. theta energy: -172.041 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: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2056.802029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.802029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.802029 (E_RNA) where: Base-Base interactions energy: -1412.715 where: short stacking energy: -606.528 Base-Backbone interact. energy: -3.433 local terms energy: -640.654083 where: bonds (distance) C4'-P energy: -135.870 bonds (distance) P-C4' energy: -126.883 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -144.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1820.270470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.270470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.270470 (E_RNA) where: Base-Base interactions energy: -1155.841 where: short stacking energy: -530.707 Base-Backbone interact. energy: 0.563 local terms energy: -664.992808 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -148.866 flat angles C4'-P-C4' energy: -159.077 flat angles P-C4'-P energy: -97.608 tors. eta vs tors. theta energy: -119.428 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: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1651.479309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.479309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.479309 (E_RNA) where: Base-Base interactions energy: -1067.903 where: short stacking energy: -491.341 Base-Backbone interact. energy: 1.217 local terms energy: -584.792504 where: bonds (distance) C4'-P energy: -131.691 bonds (distance) P-C4' energy: -126.753 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -106.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1513.959212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.959212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.959212 (E_RNA) where: Base-Base interactions energy: -956.347 where: short stacking energy: -420.031 Base-Backbone interact. energy: 2.778 local terms energy: -560.389664 where: bonds (distance) C4'-P energy: -127.861 bonds (distance) P-C4' energy: -133.331 flat angles C4'-P-C4' energy: -134.948 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -95.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -948.427392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.427392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.427392 (E_RNA) where: Base-Base interactions energy: -512.422 where: short stacking energy: -267.713 Base-Backbone interact. energy: -0.009 local terms energy: -435.996072 where: bonds (distance) C4'-P energy: -122.023 bonds (distance) P-C4' energy: -122.993 flat angles C4'-P-C4' energy: -114.137 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -5.805 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: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -907.835573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.835573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.835573 (E_RNA) where: Base-Base interactions energy: -498.016 where: short stacking energy: -253.033 Base-Backbone interact. energy: -1.291 local terms energy: -408.528884 where: bonds (distance) C4'-P energy: -119.028 bonds (distance) P-C4' energy: -123.443 flat angles C4'-P-C4' energy: -105.416 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: -23.237 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: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2579.516172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.516172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.516172 (E_RNA) where: Base-Base interactions energy: -1787.291 where: short stacking energy: -761.986 Base-Backbone interact. energy: -1.166 local terms energy: -791.059605 where: bonds (distance) C4'-P energy: -145.828 bonds (distance) P-C4' energy: -149.602 flat angles C4'-P-C4' energy: -167.322 flat angles P-C4'-P energy: -118.811 tors. eta vs tors. theta energy: -209.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2430.023574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.023574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.023574 (E_RNA) where: Base-Base interactions energy: -1643.893 where: short stacking energy: -707.585 Base-Backbone interact. energy: -4.837 local terms energy: -781.293585 where: bonds (distance) C4'-P energy: -144.247 bonds (distance) P-C4' energy: -151.568 flat angles C4'-P-C4' energy: -170.861 flat angles P-C4'-P energy: -111.062 tors. eta vs tors. theta energy: -203.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2324.424181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.424181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.424181 (E_RNA) where: Base-Base interactions energy: -1579.713 where: short stacking energy: -716.545 Base-Backbone interact. energy: 4.251 local terms energy: -748.962229 where: bonds (distance) C4'-P energy: -139.286 bonds (distance) P-C4' energy: -151.198 flat angles C4'-P-C4' energy: -161.630 flat angles P-C4'-P energy: -104.664 tors. eta vs tors. theta energy: -192.184 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: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2147.815473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.815473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.815473 (E_RNA) where: Base-Base interactions energy: -1457.512 where: short stacking energy: -645.219 Base-Backbone interact. energy: -1.108 local terms energy: -689.196262 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -127.339 flat angles C4'-P-C4' energy: -159.927 flat angles P-C4'-P energy: -98.579 tors. eta vs tors. theta energy: -170.922 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: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2085.356047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.356047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.356047 (E_RNA) where: Base-Base interactions energy: -1411.721 where: short stacking energy: -601.670 Base-Backbone interact. energy: -4.988 local terms energy: -668.647459 where: bonds (distance) C4'-P energy: -146.373 bonds (distance) P-C4' energy: -149.524 flat angles C4'-P-C4' energy: -142.842 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -136.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1860.964038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.964038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.964038 (E_RNA) where: Base-Base interactions energy: -1200.692 where: short stacking energy: -544.448 Base-Backbone interact. energy: -2.962 local terms energy: -657.310744 where: bonds (distance) C4'-P energy: -136.815 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -144.295 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -131.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1711.578948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.578948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.578948 (E_RNA) where: Base-Base interactions energy: -1132.514 where: short stacking energy: -488.921 Base-Backbone interact. energy: -2.103 local terms energy: -576.961961 where: bonds (distance) C4'-P energy: -117.604 bonds (distance) P-C4' energy: -124.192 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -85.087 tors. eta vs tors. theta energy: -102.678 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: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1583.894792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.894792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.894792 (E_RNA) where: Base-Base interactions energy: -1032.706 where: short stacking energy: -447.286 Base-Backbone interact. energy: 3.716 local terms energy: -554.904608 where: bonds (distance) C4'-P energy: -124.226 bonds (distance) P-C4' energy: -135.745 flat angles C4'-P-C4' energy: -132.791 flat angles P-C4'-P energy: -72.623 tors. eta vs tors. theta energy: -89.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -946.006571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.006571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.006571 (E_RNA) where: Base-Base interactions energy: -502.071 where: short stacking energy: -268.791 Base-Backbone interact. energy: -0.127 local terms energy: -443.808108 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -111.623 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -82.451 tors. eta vs tors. theta energy: -16.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -840.690820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.690820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.690820 (E_RNA) where: Base-Base interactions energy: -422.485 where: short stacking energy: -235.763 Base-Backbone interact. energy: -5.954 local terms energy: -412.252337 where: bonds (distance) C4'-P energy: -103.673 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -111.878 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: 1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2568.928303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.928303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.928303 (E_RNA) where: Base-Base interactions energy: -1761.204 where: short stacking energy: -745.377 Base-Backbone interact. energy: -2.021 local terms energy: -805.703688 where: bonds (distance) C4'-P energy: -150.437 bonds (distance) P-C4' energy: -161.774 flat angles C4'-P-C4' energy: -176.784 flat angles P-C4'-P energy: -101.950 tors. eta vs tors. theta energy: -214.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2447.615617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.615617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.615617 (E_RNA) where: Base-Base interactions energy: -1657.965 where: short stacking energy: -729.664 Base-Backbone interact. energy: -4.775 local terms energy: -784.875817 where: bonds (distance) C4'-P energy: -151.265 bonds (distance) P-C4' energy: -152.074 flat angles C4'-P-C4' energy: -161.813 flat angles P-C4'-P energy: -117.406 tors. eta vs tors. theta energy: -202.317 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: 97 Temperature: 1.000000 Total energy: -2297.039789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.039789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.039789 (E_RNA) where: Base-Base interactions energy: -1564.419 where: short stacking energy: -672.623 Base-Backbone interact. energy: -2.455 local terms energy: -730.166126 where: bonds (distance) C4'-P energy: -134.379 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -161.747 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -182.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2197.786442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.786442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.786442 (E_RNA) where: Base-Base interactions energy: -1464.279 where: short stacking energy: -633.069 Base-Backbone interact. energy: -4.101 local terms energy: -729.405964 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -163.653 flat angles C4'-P-C4' energy: -158.797 flat angles P-C4'-P energy: -103.321 tors. eta vs tors. theta energy: -158.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2073.688191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.688191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.688191 (E_RNA) where: Base-Base interactions energy: -1421.887 where: short stacking energy: -608.294 Base-Backbone interact. energy: -2.799 local terms energy: -649.002734 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -136.922 flat angles C4'-P-C4' energy: -142.347 flat angles P-C4'-P energy: -98.687 tors. eta vs tors. theta energy: -143.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1796.873384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.873384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.873384 (E_RNA) where: Base-Base interactions energy: -1176.670 where: short stacking energy: -525.904 Base-Backbone interact. energy: -3.772 local terms energy: -616.431708 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -127.937 flat angles C4'-P-C4' energy: -141.434 flat angles P-C4'-P energy: -97.373 tors. eta vs tors. theta energy: -121.059 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: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1723.150985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.150985 (E_RNA) where: Base-Base interactions energy: -1133.168 where: short stacking energy: -476.759 Base-Backbone interact. energy: -3.034 local terms energy: -586.948792 where: bonds (distance) C4'-P energy: -127.840 bonds (distance) P-C4' energy: -131.265 flat angles C4'-P-C4' energy: -136.179 flat angles P-C4'-P energy: -88.208 tors. eta vs tors. theta energy: -103.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1615.895020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.895020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.895020 (E_RNA) where: Base-Base interactions energy: -1055.864 where: short stacking energy: -471.248 Base-Backbone interact. energy: -1.239 local terms energy: -558.792405 where: bonds (distance) C4'-P energy: -122.926 bonds (distance) P-C4' energy: -127.564 flat angles C4'-P-C4' energy: -118.640 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: -116.988 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: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -949.940399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.940399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.940399 (E_RNA) where: Base-Base interactions energy: -497.716 where: short stacking energy: -305.276 Base-Backbone interact. energy: 3.642 local terms energy: -455.866197 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -129.581 flat angles C4'-P-C4' energy: -106.684 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -854.619893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.619893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.619893 (E_RNA) where: Base-Base interactions energy: -420.527 where: short stacking energy: -241.186 Base-Backbone interact. energy: -3.357 local terms energy: -430.735587 where: bonds (distance) C4'-P energy: -126.022 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -117.689 flat angles P-C4'-P energy: -43.385 tors. eta vs tors. theta energy: -8.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2588.842746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.842746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.842746 (E_RNA) where: Base-Base interactions energy: -1797.264 where: short stacking energy: -763.588 Base-Backbone interact. energy: -2.170 local terms energy: -789.408695 where: bonds (distance) C4'-P energy: -151.337 bonds (distance) P-C4' energy: -155.637 flat angles C4'-P-C4' energy: -174.464 flat angles P-C4'-P energy: -103.979 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: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2479.507310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.507310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.507310 (E_RNA) where: Base-Base interactions energy: -1726.749 where: short stacking energy: -751.626 Base-Backbone interact. energy: -3.638 local terms energy: -749.120376 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -174.654 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -200.487 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: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2343.142103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.142103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.142103 (E_RNA) where: Base-Base interactions energy: -1553.007 where: short stacking energy: -697.870 Base-Backbone interact. energy: -4.048 local terms energy: -786.087961 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -160.882 flat angles C4'-P-C4' energy: -173.846 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -205.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2199.397975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.397975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.397975 (E_RNA) where: Base-Base interactions energy: -1479.435 where: short stacking energy: -640.726 Base-Backbone interact. energy: -5.379 local terms energy: -714.584294 where: bonds (distance) C4'-P energy: -144.302 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -150.299 flat angles P-C4'-P energy: -94.993 tors. eta vs tors. theta energy: -172.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2090.330018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.330018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.330018 (E_RNA) where: Base-Base interactions energy: -1418.168 where: short stacking energy: -619.799 Base-Backbone interact. energy: 0.016 local terms energy: -672.178203 where: bonds (distance) C4'-P energy: -142.645 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -159.414 flat angles P-C4'-P energy: -70.135 tors. eta vs tors. theta energy: -155.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1885.480620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.480620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.480620 (E_RNA) where: Base-Base interactions energy: -1264.249 where: short stacking energy: -532.352 Base-Backbone interact. energy: -4.573 local terms energy: -616.657945 where: bonds (distance) C4'-P energy: -135.509 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -136.554 flat angles P-C4'-P energy: -92.576 tors. eta vs tors. theta energy: -116.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1660.872651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.872651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.872651 (E_RNA) where: Base-Base interactions energy: -1037.585 where: short stacking energy: -484.084 Base-Backbone interact. energy: 7.896 local terms energy: -631.182828 where: bonds (distance) C4'-P energy: -137.162 bonds (distance) P-C4' energy: -144.737 flat angles C4'-P-C4' energy: -141.844 flat angles P-C4'-P energy: -92.150 tors. eta vs tors. theta energy: -115.290 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: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1703.815350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.815350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.815350 (E_RNA) where: Base-Base interactions energy: -1133.007 where: short stacking energy: -496.206 Base-Backbone interact. energy: 1.339 local terms energy: -572.147689 where: bonds (distance) C4'-P energy: -128.112 bonds (distance) P-C4' energy: -111.409 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: -122.065 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: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -921.345990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.345990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.345990 (E_RNA) where: Base-Base interactions energy: -484.337 where: short stacking energy: -282.442 Base-Backbone interact. energy: -3.763 local terms energy: -433.245558 where: bonds (distance) C4'-P energy: -109.209 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -115.561 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -30.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -817.654275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.654275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.654275 (E_RNA) where: Base-Base interactions energy: -413.689 where: short stacking energy: -241.628 Base-Backbone interact. energy: -1.738 local terms energy: -402.227108 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -122.382 flat angles C4'-P-C4' energy: -99.807 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: 11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2578.004202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.004202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.004202 (E_RNA) where: Base-Base interactions energy: -1796.209 where: short stacking energy: -747.113 Base-Backbone interact. energy: -1.211 local terms energy: -780.584161 where: bonds (distance) C4'-P energy: -140.865 bonds (distance) P-C4' energy: -150.238 flat angles C4'-P-C4' energy: -171.484 flat angles P-C4'-P energy: -118.789 tors. eta vs tors. theta energy: -199.207 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2506.801508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.801508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.801508 (E_RNA) where: Base-Base interactions energy: -1725.022 where: short stacking energy: -710.251 Base-Backbone interact. energy: -3.544 local terms energy: -778.235724 where: bonds (distance) C4'-P energy: -146.831 bonds (distance) P-C4' energy: -162.327 flat angles C4'-P-C4' energy: -167.341 flat angles P-C4'-P energy: -111.639 tors. eta vs tors. theta energy: -190.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2293.117391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.117391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.117391 (E_RNA) where: Base-Base interactions energy: -1535.631 where: short stacking energy: -690.102 Base-Backbone interact. energy: -3.093 local terms energy: -754.393315 where: bonds (distance) C4'-P energy: -140.767 bonds (distance) P-C4' energy: -143.022 flat angles C4'-P-C4' energy: -151.396 flat angles P-C4'-P energy: -117.903 tors. eta vs tors. theta energy: -201.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2234.697984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.697984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.697984 (E_RNA) where: Base-Base interactions energy: -1501.594 where: short stacking energy: -653.737 Base-Backbone interact. energy: 0.647 local terms energy: -733.750839 where: bonds (distance) C4'-P energy: -137.859 bonds (distance) P-C4' energy: -141.511 flat angles C4'-P-C4' energy: -169.927 flat angles P-C4'-P energy: -103.624 tors. eta vs tors. theta energy: -180.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2093.516184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.516184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.516184 (E_RNA) where: Base-Base interactions energy: -1407.156 where: short stacking energy: -604.542 Base-Backbone interact. energy: 3.037 local terms energy: -689.397104 where: bonds (distance) C4'-P energy: -127.727 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -156.947 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -144.560 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1850.802766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.802766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.802766 (E_RNA) where: Base-Base interactions energy: -1209.556 where: short stacking energy: -537.872 Base-Backbone interact. energy: -0.635 local terms energy: -640.611993 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -149.340 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -87.791 tors. eta vs tors. theta energy: -128.257 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: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1677.888303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.888303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.888303 (E_RNA) where: Base-Base interactions energy: -1105.954 where: short stacking energy: -473.605 Base-Backbone interact. energy: 1.125 local terms energy: -573.058817 where: bonds (distance) C4'-P energy: -141.283 bonds (distance) P-C4' energy: -127.940 flat angles C4'-P-C4' energy: -128.606 flat angles P-C4'-P energy: -92.698 tors. eta vs tors. theta energy: -82.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1584.321835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.321835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.321835 (E_RNA) where: Base-Base interactions energy: -1016.233 where: short stacking energy: -461.170 Base-Backbone interact. energy: -1.375 local terms energy: -566.712971 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -56.147 tors. eta vs tors. theta energy: -116.009 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: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -960.360542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.360542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.360542 (E_RNA) where: Base-Base interactions energy: -550.925 where: short stacking energy: -301.656 Base-Backbone interact. energy: -0.564 local terms energy: -408.871668 where: bonds (distance) C4'-P energy: -98.544 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -57.042 tors. eta vs tors. theta energy: -25.444 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: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -915.106210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.106210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.106210 (E_RNA) where: Base-Base interactions energy: -493.952 where: short stacking energy: -265.716 Base-Backbone interact. energy: 1.170 local terms energy: -422.324441 where: bonds (distance) C4'-P energy: -133.051 bonds (distance) P-C4' energy: -118.887 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: 3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2579.304275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.304275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.304275 (E_RNA) where: Base-Base interactions energy: -1771.508 where: short stacking energy: -710.296 Base-Backbone interact. energy: -4.677 local terms energy: -803.119680 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -161.835 flat angles C4'-P-C4' energy: -165.864 flat angles P-C4'-P energy: -119.947 tors. eta vs tors. theta energy: -199.567 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: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2541.151603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.151603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.151603 (E_RNA) where: Base-Base interactions energy: -1748.896 where: short stacking energy: -729.203 Base-Backbone interact. energy: -3.824 local terms energy: -788.430884 where: bonds (distance) C4'-P energy: -154.242 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -175.367 flat angles P-C4'-P energy: -113.293 tors. eta vs tors. theta energy: -191.387 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: 100 Temperature: 1.000000 Total energy: -2265.235718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.235718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.235718 (E_RNA) where: Base-Base interactions energy: -1552.614 where: short stacking energy: -664.482 Base-Backbone interact. energy: 1.524 local terms energy: -714.146487 where: bonds (distance) C4'-P energy: -144.694 bonds (distance) P-C4' energy: -143.698 flat angles C4'-P-C4' energy: -162.177 flat angles P-C4'-P energy: -92.037 tors. eta vs tors. theta energy: -171.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2210.998199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.998199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.998199 (E_RNA) where: Base-Base interactions energy: -1455.358 where: short stacking energy: -666.741 Base-Backbone interact. energy: -1.097 local terms energy: -754.542487 where: bonds (distance) C4'-P energy: -135.534 bonds (distance) P-C4' energy: -151.660 flat angles C4'-P-C4' energy: -163.217 flat angles P-C4'-P energy: -115.291 tors. eta vs tors. theta energy: -188.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2099.530771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.530771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.530771 (E_RNA) where: Base-Base interactions energy: -1415.443 where: short stacking energy: -623.086 Base-Backbone interact. energy: -3.899 local terms energy: -680.189148 where: bonds (distance) C4'-P energy: -123.025 bonds (distance) P-C4' energy: -150.807 flat angles C4'-P-C4' energy: -149.612 flat angles P-C4'-P energy: -102.698 tors. eta vs tors. theta energy: -154.046 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: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1843.466087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.466087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.466087 (E_RNA) where: Base-Base interactions energy: -1204.387 where: short stacking energy: -544.293 Base-Backbone interact. energy: 1.348 local terms energy: -640.426761 where: bonds (distance) C4'-P energy: -109.666 bonds (distance) P-C4' energy: -145.909 flat angles C4'-P-C4' energy: -150.579 flat angles P-C4'-P energy: -98.864 tors. eta vs tors. theta energy: -135.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1680.398421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.398421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.398421 (E_RNA) where: Base-Base interactions energy: -1088.166 where: short stacking energy: -500.238 Base-Backbone interact. energy: -0.729 local terms energy: -591.503130 where: bonds (distance) C4'-P energy: -117.688 bonds (distance) P-C4' energy: -139.625 flat angles C4'-P-C4' energy: -119.386 flat angles P-C4'-P energy: -90.930 tors. eta vs tors. theta energy: -123.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1635.621685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.621685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.621685 (E_RNA) where: Base-Base interactions energy: -1063.773 where: short stacking energy: -467.493 Base-Backbone interact. energy: -0.327 local terms energy: -571.521215 where: bonds (distance) C4'-P energy: -117.888 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -131.530 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -97.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1017.646801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.646801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.646801 (E_RNA) where: Base-Base interactions energy: -575.125 where: short stacking energy: -294.818 Base-Backbone interact. energy: 0.031 local terms energy: -442.552613 where: bonds (distance) C4'-P energy: -91.371 bonds (distance) P-C4' energy: -138.953 flat angles C4'-P-C4' energy: -99.605 flat angles P-C4'-P energy: -82.183 tors. eta vs tors. theta energy: -30.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -898.601381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.601381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.601381 (E_RNA) where: Base-Base interactions energy: -482.855 where: short stacking energy: -252.892 Base-Backbone interact. energy: 3.633 local terms energy: -419.378591 where: bonds (distance) C4'-P energy: -115.359 bonds (distance) P-C4' energy: -127.071 flat angles C4'-P-C4' energy: -115.542 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: 0.409 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2562.920613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.920613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.920613 (E_RNA) where: Base-Base interactions energy: -1751.614 where: short stacking energy: -741.598 Base-Backbone interact. energy: -6.831 local terms energy: -804.475873 where: bonds (distance) C4'-P energy: -147.252 bonds (distance) P-C4' energy: -156.341 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -215.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2515.456077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.456077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.456077 (E_RNA) where: Base-Base interactions energy: -1751.215 where: short stacking energy: -735.843 Base-Backbone interact. energy: 0.419 local terms energy: -764.660374 where: bonds (distance) C4'-P energy: -134.861 bonds (distance) P-C4' energy: -151.090 flat angles C4'-P-C4' energy: -168.590 flat angles P-C4'-P energy: -111.035 tors. eta vs tors. theta energy: -199.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2240.053878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.053878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.053878 (E_RNA) where: Base-Base interactions energy: -1512.060 where: short stacking energy: -645.633 Base-Backbone interact. energy: 2.756 local terms energy: -730.749295 where: bonds (distance) C4'-P energy: -146.397 bonds (distance) P-C4' energy: -147.949 flat angles C4'-P-C4' energy: -161.726 flat angles P-C4'-P energy: -98.847 tors. eta vs tors. theta energy: -175.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2211.407806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.407806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.407806 (E_RNA) where: Base-Base interactions energy: -1486.585 where: short stacking energy: -662.145 Base-Backbone interact. energy: -2.813 local terms energy: -722.009555 where: bonds (distance) C4'-P energy: -146.453 bonds (distance) P-C4' energy: -143.617 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -180.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2114.989753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.989753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.989753 (E_RNA) where: Base-Base interactions energy: -1444.350 where: short stacking energy: -597.157 Base-Backbone interact. energy: -1.022 local terms energy: -669.618260 where: bonds (distance) C4'-P energy: -139.884 bonds (distance) P-C4' energy: -133.746 flat angles C4'-P-C4' energy: -136.821 flat angles P-C4'-P energy: -97.028 tors. eta vs tors. theta energy: -162.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1847.286682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.286682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.286682 (E_RNA) where: Base-Base interactions energy: -1211.751 where: short stacking energy: -535.367 Base-Backbone interact. energy: -2.255 local terms energy: -633.281000 where: bonds (distance) C4'-P energy: -125.717 bonds (distance) P-C4' energy: -128.567 flat angles C4'-P-C4' energy: -140.726 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -145.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1610.940712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.940712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.940712 (E_RNA) where: Base-Base interactions energy: -1028.785 where: short stacking energy: -459.999 Base-Backbone interact. energy: -3.176 local terms energy: -578.980183 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -122.464 flat angles C4'-P-C4' energy: -141.417 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -100.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1671.266644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.266644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.266644 (E_RNA) where: Base-Base interactions energy: -1107.645 where: short stacking energy: -481.947 Base-Backbone interact. energy: -0.506 local terms energy: -563.115582 where: bonds (distance) C4'-P energy: -105.223 bonds (distance) P-C4' energy: -125.189 flat angles C4'-P-C4' energy: -142.276 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -108.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1023.830527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.830527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.830527 (E_RNA) where: Base-Base interactions energy: -596.513 where: short stacking energy: -318.961 Base-Backbone interact. energy: -3.286 local terms energy: -424.030843 where: bonds (distance) C4'-P energy: -97.181 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -108.827 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: -25.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -867.934069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.934069 (E_RNA) where: Base-Base interactions energy: -457.150 where: short stacking energy: -238.291 Base-Backbone interact. energy: 5.611 local terms energy: -416.394730 where: bonds (distance) C4'-P energy: -111.997 bonds (distance) P-C4' energy: -140.650 flat angles C4'-P-C4' energy: -89.807 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: 3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2535.855600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.855600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.855600 (E_RNA) where: Base-Base interactions energy: -1731.765 where: short stacking energy: -742.604 Base-Backbone interact. energy: -2.866 local terms energy: -801.224325 where: bonds (distance) C4'-P energy: -159.028 bonds (distance) P-C4' energy: -160.063 flat angles C4'-P-C4' energy: -174.006 flat angles P-C4'-P energy: -112.882 tors. eta vs tors. theta energy: -195.246 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: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2484.333525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.333525 (E_RNA) where: Base-Base interactions energy: -1695.369 where: short stacking energy: -729.862 Base-Backbone interact. energy: 0.128 local terms energy: -789.093024 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -163.813 flat angles C4'-P-C4' energy: -183.037 flat angles P-C4'-P energy: -103.004 tors. eta vs tors. theta energy: -199.941 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: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2274.915134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.915134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.915134 (E_RNA) where: Base-Base interactions energy: -1514.048 where: short stacking energy: -695.424 Base-Backbone interact. energy: -1.972 local terms energy: -758.895477 where: bonds (distance) C4'-P energy: -135.015 bonds (distance) P-C4' energy: -139.317 flat angles C4'-P-C4' energy: -179.196 flat angles P-C4'-P energy: -109.762 tors. eta vs tors. theta energy: -195.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2157.717969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.717969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.717969 (E_RNA) where: Base-Base interactions energy: -1449.585 where: short stacking energy: -636.400 Base-Backbone interact. energy: -3.803 local terms energy: -704.329646 where: bonds (distance) C4'-P energy: -137.985 bonds (distance) P-C4' energy: -137.031 flat angles C4'-P-C4' energy: -160.617 flat angles P-C4'-P energy: -94.709 tors. eta vs tors. theta energy: -173.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2146.460482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.460482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.460482 (E_RNA) where: Base-Base interactions energy: -1495.876 where: short stacking energy: -627.675 Base-Backbone interact. energy: 4.527 local terms energy: -655.111556 where: bonds (distance) C4'-P energy: -127.832 bonds (distance) P-C4' energy: -128.377 flat angles C4'-P-C4' energy: -149.340 flat angles P-C4'-P energy: -97.794 tors. eta vs tors. theta energy: -151.769 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: 102 Temperature: 1.150000 Total energy: -1848.161926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.161926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.161926 (E_RNA) where: Base-Base interactions energy: -1233.845 where: short stacking energy: -549.588 Base-Backbone interact. energy: 0.878 local terms energy: -615.194610 where: bonds (distance) C4'-P energy: -125.780 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -133.873 flat angles P-C4'-P energy: -97.053 tors. eta vs tors. theta energy: -119.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1755.727616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.727616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.727616 (E_RNA) where: Base-Base interactions energy: -1111.222 where: short stacking energy: -509.609 Base-Backbone interact. energy: -0.338 local terms energy: -644.167943 where: bonds (distance) C4'-P energy: -140.036 bonds (distance) P-C4' energy: -113.527 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -131.615 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: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1562.537483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.537483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.537483 (E_RNA) where: Base-Base interactions energy: -972.894 where: short stacking energy: -475.986 Base-Backbone interact. energy: 3.338 local terms energy: -592.981377 where: bonds (distance) C4'-P energy: -122.922 bonds (distance) P-C4' energy: -130.845 flat angles C4'-P-C4' energy: -158.987 flat angles P-C4'-P energy: -87.174 tors. eta vs tors. theta energy: -93.053 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: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -991.208890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.208890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.208890 (E_RNA) where: Base-Base interactions energy: -540.729 where: short stacking energy: -281.039 Base-Backbone interact. energy: -1.269 local terms energy: -449.211032 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -110.732 flat angles C4'-P-C4' energy: -107.818 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -21.016 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: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -845.268209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.268209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.268209 (E_RNA) where: Base-Base interactions energy: -468.677 where: short stacking energy: -271.454 Base-Backbone interact. energy: -2.257 local terms energy: -374.334240 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -105.865 flat angles C4'-P-C4' energy: -101.566 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -9.239 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: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2533.414128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.414128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.414128 (E_RNA) where: Base-Base interactions energy: -1722.151 where: short stacking energy: -720.922 Base-Backbone interact. energy: -4.987 local terms energy: -806.275602 where: bonds (distance) C4'-P energy: -156.424 bonds (distance) P-C4' energy: -154.631 flat angles C4'-P-C4' energy: -182.449 flat angles P-C4'-P energy: -120.508 tors. eta vs tors. theta energy: -192.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2448.687228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.687228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.687228 (E_RNA) where: Base-Base interactions energy: -1711.133 where: short stacking energy: -697.320 Base-Backbone interact. energy: -2.954 local terms energy: -734.600800 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -132.032 flat angles C4'-P-C4' energy: -161.506 flat angles P-C4'-P energy: -110.227 tors. eta vs tors. theta energy: -190.989 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: 103 Temperature: 1.000000 Total energy: -2265.305574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.305574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.305574 (E_RNA) where: Base-Base interactions energy: -1526.507 where: short stacking energy: -712.584 Base-Backbone interact. energy: 0.085 local terms energy: -738.883935 where: bonds (distance) C4'-P energy: -135.811 bonds (distance) P-C4' energy: -134.651 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -203.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2216.626545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.626545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.626545 (E_RNA) where: Base-Base interactions energy: -1480.310 where: short stacking energy: -639.455 Base-Backbone interact. energy: 0.240 local terms energy: -736.555810 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -150.725 flat angles C4'-P-C4' energy: -161.656 flat angles P-C4'-P energy: -109.870 tors. eta vs tors. theta energy: -174.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2184.351748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.351748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.351748 (E_RNA) where: Base-Base interactions energy: -1478.074 where: short stacking energy: -630.996 Base-Backbone interact. energy: 1.362 local terms energy: -707.640379 where: bonds (distance) C4'-P energy: -139.061 bonds (distance) P-C4' energy: -137.692 flat angles C4'-P-C4' energy: -158.987 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -177.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1899.789702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.789702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.789702 (E_RNA) where: Base-Base interactions energy: -1265.062 where: short stacking energy: -562.277 Base-Backbone interact. energy: -1.531 local terms energy: -633.197584 where: bonds (distance) C4'-P energy: -136.157 bonds (distance) P-C4' energy: -133.753 flat angles C4'-P-C4' energy: -142.199 flat angles P-C4'-P energy: -92.892 tors. eta vs tors. theta energy: -128.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1695.302419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.302419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.302419 (E_RNA) where: Base-Base interactions energy: -1112.196 where: short stacking energy: -499.946 Base-Backbone interact. energy: -2.475 local terms energy: -580.631008 where: bonds (distance) C4'-P energy: -112.665 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -131.976 flat angles P-C4'-P energy: -72.507 tors. eta vs tors. theta energy: -113.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1550.809773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.809773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.809773 (E_RNA) where: Base-Base interactions energy: -998.026 where: short stacking energy: -451.802 Base-Backbone interact. energy: -3.228 local terms energy: -549.555859 where: bonds (distance) C4'-P energy: -122.098 bonds (distance) P-C4' energy: -127.477 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -104.824 tors. eta vs tors. theta energy: -84.988 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: 103 Temperature: 1.300000 Total energy: -879.993215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.993215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.993215 (E_RNA) where: Base-Base interactions energy: -450.704 where: short stacking energy: -235.251 Base-Backbone interact. energy: 4.754 local terms energy: -434.042856 where: bonds (distance) C4'-P energy: -110.504 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -125.765 flat angles P-C4'-P energy: -74.354 tors. eta vs tors. theta energy: 6.964 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: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -810.952364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.952364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.952364 (E_RNA) where: Base-Base interactions energy: -419.514 where: short stacking energy: -252.720 Base-Backbone interact. energy: 2.963 local terms energy: -394.402113 where: bonds (distance) C4'-P energy: -92.387 bonds (distance) P-C4' energy: -124.278 flat angles C4'-P-C4' energy: -97.380 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2560.007099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.007099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.007099 (E_RNA) where: Base-Base interactions energy: -1744.163 where: short stacking energy: -777.447 Base-Backbone interact. energy: -3.368 local terms energy: -812.476433 where: bonds (distance) C4'-P energy: -150.621 bonds (distance) P-C4' energy: -162.286 flat angles C4'-P-C4' energy: -175.606 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -211.615 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: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2498.299562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.299562 (E_RNA) where: Base-Base interactions energy: -1720.085 where: short stacking energy: -715.888 Base-Backbone interact. energy: -3.410 local terms energy: -774.804444 where: bonds (distance) C4'-P energy: -152.370 bonds (distance) P-C4' energy: -156.220 flat angles C4'-P-C4' energy: -164.063 flat angles P-C4'-P energy: -109.918 tors. eta vs tors. theta energy: -192.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2290.642922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.642922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.642922 (E_RNA) where: Base-Base interactions energy: -1583.303 where: short stacking energy: -673.181 Base-Backbone interact. energy: -1.671 local terms energy: -705.669016 where: bonds (distance) C4'-P energy: -119.247 bonds (distance) P-C4' energy: -141.414 flat angles C4'-P-C4' energy: -156.506 flat angles P-C4'-P energy: -95.640 tors. eta vs tors. theta energy: -192.862 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: 104 Temperature: 1.050000 Total energy: -2248.996259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.996259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.996259 (E_RNA) where: Base-Base interactions energy: -1548.476 where: short stacking energy: -672.105 Base-Backbone interact. energy: -5.732 local terms energy: -694.787964 where: bonds (distance) C4'-P energy: -127.717 bonds (distance) P-C4' energy: -127.193 flat angles C4'-P-C4' energy: -160.330 flat angles P-C4'-P energy: -96.858 tors. eta vs tors. theta energy: -182.690 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: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2182.599479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.599479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.599479 (E_RNA) where: Base-Base interactions energy: -1499.892 where: short stacking energy: -623.601 Base-Backbone interact. energy: 0.660 local terms energy: -683.368204 where: bonds (distance) C4'-P energy: -128.136 bonds (distance) P-C4' energy: -136.360 flat angles C4'-P-C4' energy: -158.725 flat angles P-C4'-P energy: -109.132 tors. eta vs tors. theta energy: -151.014 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: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2020.020767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.020767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.020767 (E_RNA) where: Base-Base interactions energy: -1365.722 where: short stacking energy: -596.126 Base-Backbone interact. energy: -5.536 local terms energy: -648.762034 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -143.180 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -148.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1739.699760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.699760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.699760 (E_RNA) where: Base-Base interactions energy: -1122.676 where: short stacking energy: -522.899 Base-Backbone interact. energy: -1.224 local terms energy: -615.799400 where: bonds (distance) C4'-P energy: -130.387 bonds (distance) P-C4' energy: -141.612 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -90.232 tors. eta vs tors. theta energy: -125.344 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: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1490.841219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.841219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.841219 (E_RNA) where: Base-Base interactions energy: -958.088 where: short stacking energy: -446.887 Base-Backbone interact. energy: 1.403 local terms energy: -534.155665 where: bonds (distance) C4'-P energy: -110.881 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -152.213 flat angles P-C4'-P energy: -55.743 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -882.352958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.352958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.352958 (E_RNA) where: Base-Base interactions energy: -439.284 where: short stacking energy: -268.050 Base-Backbone interact. energy: -0.018 local terms energy: -443.051413 where: bonds (distance) C4'-P energy: -128.926 bonds (distance) P-C4' energy: -146.656 flat angles C4'-P-C4' energy: -100.851 flat angles P-C4'-P energy: -48.147 tors. eta vs tors. theta energy: -18.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -850.336209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.336209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.336209 (E_RNA) where: Base-Base interactions energy: -448.371 where: short stacking energy: -242.350 Base-Backbone interact. energy: -0.042 local terms energy: -401.923310 where: bonds (distance) C4'-P energy: -116.544 bonds (distance) P-C4' energy: -131.912 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: 7.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2572.144478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.144478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.144478 (E_RNA) where: Base-Base interactions energy: -1759.101 where: short stacking energy: -764.148 Base-Backbone interact. energy: -1.237 local terms energy: -811.806967 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -145.943 flat angles C4'-P-C4' energy: -184.355 flat angles P-C4'-P energy: -128.739 tors. eta vs tors. theta energy: -204.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2511.055058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.055058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.055058 (E_RNA) where: Base-Base interactions energy: -1755.330 where: short stacking energy: -725.196 Base-Backbone interact. energy: 2.865 local terms energy: -758.589802 where: bonds (distance) C4'-P energy: -141.275 bonds (distance) P-C4' energy: -161.027 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -114.475 tors. eta vs tors. theta energy: -186.704 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: 105 Temperature: 1.000000 Total energy: -2316.860018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.860018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.860018 (E_RNA) where: Base-Base interactions energy: -1518.418 where: short stacking energy: -728.086 Base-Backbone interact. energy: -1.443 local terms energy: -796.998804 where: bonds (distance) C4'-P energy: -143.698 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -183.551 flat angles P-C4'-P energy: -96.641 tors. eta vs tors. theta energy: -216.627 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: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2268.478122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.478122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.478122 (E_RNA) where: Base-Base interactions energy: -1556.388 where: short stacking energy: -674.246 Base-Backbone interact. energy: 0.535 local terms energy: -712.624839 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -127.378 flat angles C4'-P-C4' energy: -150.778 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -183.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2122.549827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.549827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.549827 (E_RNA) where: Base-Base interactions energy: -1420.162 where: short stacking energy: -630.008 Base-Backbone interact. energy: -0.919 local terms energy: -701.469602 where: bonds (distance) C4'-P energy: -143.382 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -163.414 flat angles P-C4'-P energy: -90.868 tors. eta vs tors. theta energy: -166.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1939.026484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.026484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.026484 (E_RNA) where: Base-Base interactions energy: -1286.528 where: short stacking energy: -578.397 Base-Backbone interact. energy: -4.952 local terms energy: -647.546420 where: bonds (distance) C4'-P energy: -125.510 bonds (distance) P-C4' energy: -131.732 flat angles C4'-P-C4' energy: -137.351 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -157.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1729.744973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.744973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.744973 (E_RNA) where: Base-Base interactions energy: -1143.208 where: short stacking energy: -510.208 Base-Backbone interact. energy: -1.667 local terms energy: -584.869090 where: bonds (distance) C4'-P energy: -135.912 bonds (distance) P-C4' energy: -116.755 flat angles C4'-P-C4' energy: -133.115 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -122.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1388.593936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.593936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.593936 (E_RNA) where: Base-Base interactions energy: -863.154 where: short stacking energy: -408.665 Base-Backbone interact. energy: 2.034 local terms energy: -527.474277 where: bonds (distance) C4'-P energy: -139.036 bonds (distance) P-C4' energy: -119.569 flat angles C4'-P-C4' energy: -135.040 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -57.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -882.219278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.219278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.219278 (E_RNA) where: Base-Base interactions energy: -446.142 where: short stacking energy: -246.685 Base-Backbone interact. energy: -1.818 local terms energy: -434.258658 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -113.911 flat angles C4'-P-C4' energy: -97.586 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -22.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -919.354091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.354091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.354091 (E_RNA) where: Base-Base interactions energy: -524.030 where: short stacking energy: -246.294 Base-Backbone interact. energy: 1.178 local terms energy: -396.502416 where: bonds (distance) C4'-P energy: -111.625 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -105.723 flat angles P-C4'-P energy: -55.113 tors. eta vs tors. theta energy: 1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2601.915411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.915411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.915411 (E_RNA) where: Base-Base interactions energy: -1813.240 where: short stacking energy: -722.486 Base-Backbone interact. energy: -0.682 local terms energy: -787.993110 where: bonds (distance) C4'-P energy: -152.457 bonds (distance) P-C4' energy: -155.509 flat angles C4'-P-C4' energy: -160.660 flat angles P-C4'-P energy: -123.687 tors. eta vs tors. theta energy: -195.680 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: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2492.007092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.007092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.007092 (E_RNA) where: Base-Base interactions energy: -1683.700 where: short stacking energy: -717.398 Base-Backbone interact. energy: -2.968 local terms energy: -805.339146 where: bonds (distance) C4'-P energy: -147.215 bonds (distance) P-C4' energy: -163.637 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -120.389 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: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2294.792426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.792426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.792426 (E_RNA) where: Base-Base interactions energy: -1559.373 where: short stacking energy: -730.327 Base-Backbone interact. energy: -4.076 local terms energy: -731.343238 where: bonds (distance) C4'-P energy: -144.306 bonds (distance) P-C4' energy: -136.358 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -195.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2198.204324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.204324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.204324 (E_RNA) where: Base-Base interactions energy: -1510.358 where: short stacking energy: -685.490 Base-Backbone interact. energy: -1.339 local terms energy: -686.506533 where: bonds (distance) C4'-P energy: -119.465 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -146.259 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -178.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2109.054568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.054568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.054568 (E_RNA) where: Base-Base interactions energy: -1448.803 where: short stacking energy: -585.939 Base-Backbone interact. energy: -4.868 local terms energy: -655.382977 where: bonds (distance) C4'-P energy: -135.778 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -146.585 flat angles P-C4'-P energy: -80.874 tors. eta vs tors. theta energy: -158.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1938.979547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.979547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.979547 (E_RNA) where: Base-Base interactions energy: -1271.105 where: short stacking energy: -563.971 Base-Backbone interact. energy: -2.025 local terms energy: -665.849702 where: bonds (distance) C4'-P energy: -144.965 bonds (distance) P-C4' energy: -128.441 flat angles C4'-P-C4' energy: -145.769 flat angles P-C4'-P energy: -101.728 tors. eta vs tors. theta energy: -144.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1757.998301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.998301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.998301 (E_RNA) where: Base-Base interactions energy: -1175.004 where: short stacking energy: -518.156 Base-Backbone interact. energy: 0.495 local terms energy: -583.489713 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -153.240 flat angles P-C4'-P energy: -78.861 tors. eta vs tors. theta energy: -112.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1355.343694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.343694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.343694 (E_RNA) where: Base-Base interactions energy: -841.915 where: short stacking energy: -394.819 Base-Backbone interact. energy: -2.791 local terms energy: -510.637309 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -122.598 flat angles C4'-P-C4' energy: -122.772 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -62.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1006.181827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.181827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.181827 (E_RNA) where: Base-Base interactions energy: -568.579 where: short stacking energy: -292.944 Base-Backbone interact. energy: 0.938 local terms energy: -438.540081 where: bonds (distance) C4'-P energy: -131.900 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -62.645 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -856.021907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.021907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.021907 (E_RNA) where: Base-Base interactions energy: -437.698 where: short stacking energy: -267.859 Base-Backbone interact. energy: -3.502 local terms energy: -414.821872 where: bonds (distance) C4'-P energy: -109.248 bonds (distance) P-C4' energy: -115.691 flat angles C4'-P-C4' energy: -117.513 flat angles P-C4'-P energy: -64.062 tors. eta vs tors. theta energy: -8.307 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: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2592.886433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.886433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.886433 (E_RNA) where: Base-Base interactions energy: -1805.688 where: short stacking energy: -724.516 Base-Backbone interact. energy: -1.292 local terms energy: -785.906745 where: bonds (distance) C4'-P energy: -141.028 bonds (distance) P-C4' energy: -152.990 flat angles C4'-P-C4' energy: -167.369 flat angles P-C4'-P energy: -122.519 tors. eta vs tors. theta energy: -202.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2535.684339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.684339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.684339 (E_RNA) where: Base-Base interactions energy: -1755.570 where: short stacking energy: -760.271 Base-Backbone interact. energy: 1.908 local terms energy: -782.021579 where: bonds (distance) C4'-P energy: -144.871 bonds (distance) P-C4' energy: -141.703 flat angles C4'-P-C4' energy: -179.602 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -206.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2241.861636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.861636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.861636 (E_RNA) where: Base-Base interactions energy: -1500.278 where: short stacking energy: -677.775 Base-Backbone interact. energy: -3.617 local terms energy: -737.966259 where: bonds (distance) C4'-P energy: -139.806 bonds (distance) P-C4' energy: -140.143 flat angles C4'-P-C4' energy: -169.550 flat angles P-C4'-P energy: -105.274 tors. eta vs tors. theta energy: -183.194 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: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2193.304963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.304963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.304963 (E_RNA) where: Base-Base interactions energy: -1472.454 where: short stacking energy: -635.718 Base-Backbone interact. energy: 0.610 local terms energy: -721.460661 where: bonds (distance) C4'-P energy: -132.153 bonds (distance) P-C4' energy: -148.589 flat angles C4'-P-C4' energy: -170.498 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -161.547 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: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2068.775854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.775854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.775854 (E_RNA) where: Base-Base interactions energy: -1373.113 where: short stacking energy: -586.829 Base-Backbone interact. energy: 4.170 local terms energy: -699.833007 where: bonds (distance) C4'-P energy: -137.088 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -156.710 flat angles P-C4'-P energy: -95.185 tors. eta vs tors. theta energy: -150.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1937.634216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.634216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.634216 (E_RNA) where: Base-Base interactions energy: -1303.598 where: short stacking energy: -541.119 Base-Backbone interact. energy: -0.076 local terms energy: -633.960457 where: bonds (distance) C4'-P energy: -124.106 bonds (distance) P-C4' energy: -142.873 flat angles C4'-P-C4' energy: -141.509 flat angles P-C4'-P energy: -93.685 tors. eta vs tors. theta energy: -131.787 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: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1647.115104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.115104 (E_RNA) where: Base-Base interactions energy: -1020.455 where: short stacking energy: -465.258 Base-Backbone interact. energy: 3.256 local terms energy: -629.916716 where: bonds (distance) C4'-P energy: -133.371 bonds (distance) P-C4' energy: -160.164 flat angles C4'-P-C4' energy: -136.655 flat angles P-C4'-P energy: -100.809 tors. eta vs tors. theta energy: -98.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1358.277675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.277675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.277675 (E_RNA) where: Base-Base interactions energy: -858.767 where: short stacking energy: -410.191 Base-Backbone interact. energy: 13.094 local terms energy: -512.604548 where: bonds (distance) C4'-P energy: -120.489 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -133.076 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -74.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1057.735102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.735102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.735102 (E_RNA) where: Base-Base interactions energy: -581.148 where: short stacking energy: -306.465 Base-Backbone interact. energy: 0.644 local terms energy: -477.230852 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -132.217 flat angles C4'-P-C4' energy: -121.882 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -25.373 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: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -810.039816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.039816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.039816 (E_RNA) where: Base-Base interactions energy: -383.917 where: short stacking energy: -225.777 Base-Backbone interact. energy: 0.022 local terms energy: -426.143890 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -129.404 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -73.608 tors. eta vs tors. theta energy: 5.063 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: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2559.096103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.096103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.096103 (E_RNA) where: Base-Base interactions energy: -1758.634 where: short stacking energy: -742.680 Base-Backbone interact. energy: -3.874 local terms energy: -796.588107 where: bonds (distance) C4'-P energy: -141.435 bonds (distance) P-C4' energy: -165.583 flat angles C4'-P-C4' energy: -169.410 flat angles P-C4'-P energy: -114.621 tors. eta vs tors. theta energy: -205.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2517.418100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.418100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.418100 (E_RNA) where: Base-Base interactions energy: -1707.312 where: short stacking energy: -739.849 Base-Backbone interact. energy: -4.608 local terms energy: -805.498081 where: bonds (distance) C4'-P energy: -156.490 bonds (distance) P-C4' energy: -156.716 flat angles C4'-P-C4' energy: -160.608 flat angles P-C4'-P energy: -118.157 tors. eta vs tors. theta energy: -213.527 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: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2247.803752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.803752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.803752 (E_RNA) where: Base-Base interactions energy: -1508.598 where: short stacking energy: -687.419 Base-Backbone interact. energy: -1.007 local terms energy: -738.198646 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -162.240 flat angles C4'-P-C4' energy: -152.812 flat angles P-C4'-P energy: -103.943 tors. eta vs tors. theta energy: -194.596 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: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2252.971192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.971192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.971192 (E_RNA) where: Base-Base interactions energy: -1546.780 where: short stacking energy: -674.083 Base-Backbone interact. energy: 1.364 local terms energy: -707.555834 where: bonds (distance) C4'-P energy: -124.559 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -165.816 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -178.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2094.099799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.099799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.099799 (E_RNA) where: Base-Base interactions energy: -1398.396 where: short stacking energy: -618.852 Base-Backbone interact. energy: -3.864 local terms energy: -691.839808 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -134.592 flat angles C4'-P-C4' energy: -153.454 flat angles P-C4'-P energy: -104.598 tors. eta vs tors. theta energy: -155.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1918.304643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.304643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.304643 (E_RNA) where: Base-Base interactions energy: -1285.555 where: short stacking energy: -584.522 Base-Backbone interact. energy: -2.353 local terms energy: -630.396394 where: bonds (distance) C4'-P energy: -131.156 bonds (distance) P-C4' energy: -140.977 flat angles C4'-P-C4' energy: -141.354 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -151.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1736.695122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.695122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.695122 (E_RNA) where: Base-Base interactions energy: -1161.927 where: short stacking energy: -492.591 Base-Backbone interact. energy: 0.021 local terms energy: -574.789414 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -137.277 flat angles C4'-P-C4' energy: -130.483 flat angles P-C4'-P energy: -88.474 tors. eta vs tors. theta energy: -115.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1378.658519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.658519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.658519 (E_RNA) where: Base-Base interactions energy: -857.387 where: short stacking energy: -396.938 Base-Backbone interact. energy: -3.667 local terms energy: -517.604349 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -129.120 flat angles C4'-P-C4' energy: -114.656 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -76.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1042.315184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.315184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.315184 (E_RNA) where: Base-Base interactions energy: -592.453 where: short stacking energy: -302.132 Base-Backbone interact. energy: 4.044 local terms energy: -453.906150 where: bonds (distance) C4'-P energy: -123.701 bonds (distance) P-C4' energy: -126.044 flat angles C4'-P-C4' energy: -125.488 flat angles P-C4'-P energy: -56.733 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: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -862.804757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.804757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.804757 (E_RNA) where: Base-Base interactions energy: -428.222 where: short stacking energy: -235.812 Base-Backbone interact. energy: -2.985 local terms energy: -431.597858 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -126.969 flat angles C4'-P-C4' energy: -102.275 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -8.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2558.771977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.771977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.771977 (E_RNA) where: Base-Base interactions energy: -1740.279 where: short stacking energy: -717.049 Base-Backbone interact. energy: -3.212 local terms energy: -815.280726 where: bonds (distance) C4'-P energy: -154.667 bonds (distance) P-C4' energy: -157.999 flat angles C4'-P-C4' energy: -186.303 flat angles P-C4'-P energy: -108.451 tors. eta vs tors. theta energy: -207.861 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: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2506.044060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.044060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.044060 (E_RNA) where: Base-Base interactions energy: -1700.314 where: short stacking energy: -726.483 Base-Backbone interact. energy: -0.470 local terms energy: -805.260127 where: bonds (distance) C4'-P energy: -150.225 bonds (distance) P-C4' energy: -151.617 flat angles C4'-P-C4' energy: -169.204 flat angles P-C4'-P energy: -121.688 tors. eta vs tors. theta energy: -212.525 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: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2244.665506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.665506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.665506 (E_RNA) where: Base-Base interactions energy: -1477.818 where: short stacking energy: -672.652 Base-Backbone interact. energy: -2.657 local terms energy: -764.190375 where: bonds (distance) C4'-P energy: -147.213 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -166.588 flat angles P-C4'-P energy: -109.534 tors. eta vs tors. theta energy: -193.935 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: 109 Temperature: 1.050000 Total energy: -2227.086811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.086811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.086811 (E_RNA) where: Base-Base interactions energy: -1508.062 where: short stacking energy: -676.404 Base-Backbone interact. energy: -0.639 local terms energy: -718.386104 where: bonds (distance) C4'-P energy: -123.080 bonds (distance) P-C4' energy: -149.771 flat angles C4'-P-C4' energy: -157.036 flat angles P-C4'-P energy: -105.817 tors. eta vs tors. theta energy: -182.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2085.341184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.341184 (E_RNA) where: Base-Base interactions energy: -1428.086 where: short stacking energy: -611.693 Base-Backbone interact. energy: 6.315 local terms energy: -663.570320 where: bonds (distance) C4'-P energy: -128.434 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -149.047 flat angles P-C4'-P energy: -84.429 tors. eta vs tors. theta energy: -166.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1914.884804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.884804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.884804 (E_RNA) where: Base-Base interactions energy: -1251.741 where: short stacking energy: -538.684 Base-Backbone interact. energy: -3.181 local terms energy: -659.963490 where: bonds (distance) C4'-P energy: -151.012 bonds (distance) P-C4' energy: -134.712 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -148.647 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: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1788.836391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.836391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.836391 (E_RNA) where: Base-Base interactions energy: -1171.128 where: short stacking energy: -532.891 Base-Backbone interact. energy: 1.377 local terms energy: -619.084947 where: bonds (distance) C4'-P energy: -138.801 bonds (distance) P-C4' energy: -125.457 flat angles C4'-P-C4' energy: -135.865 flat angles P-C4'-P energy: -89.730 tors. eta vs tors. theta energy: -129.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1350.844738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.844738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.844738 (E_RNA) where: Base-Base interactions energy: -800.543 where: short stacking energy: -365.031 Base-Backbone interact. energy: 1.926 local terms energy: -552.228132 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -131.320 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -91.460 tors. eta vs tors. theta energy: -67.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1051.336798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.336798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.336798 (E_RNA) where: Base-Base interactions energy: -573.311 where: short stacking energy: -271.158 Base-Backbone interact. energy: -0.377 local terms energy: -477.649375 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -143.729 flat angles C4'-P-C4' energy: -127.064 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: -22.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -832.847470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.847470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.847470 (E_RNA) where: Base-Base interactions energy: -393.385 where: short stacking energy: -209.020 Base-Backbone interact. energy: 0.842 local terms energy: -440.304406 where: bonds (distance) C4'-P energy: -121.982 bonds (distance) P-C4' energy: -126.731 flat angles C4'-P-C4' energy: -112.097 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -9.727 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: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2563.341694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.341694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.341694 (E_RNA) where: Base-Base interactions energy: -1788.532 where: short stacking energy: -743.962 Base-Backbone interact. energy: -5.254 local terms energy: -769.555493 where: bonds (distance) C4'-P energy: -139.865 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -171.153 flat angles P-C4'-P energy: -97.565 tors. eta vs tors. theta energy: -211.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2528.350854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.350854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.350854 (E_RNA) where: Base-Base interactions energy: -1739.643 where: short stacking energy: -731.511 Base-Backbone interact. energy: -3.386 local terms energy: -785.321030 where: bonds (distance) C4'-P energy: -150.667 bonds (distance) P-C4' energy: -148.000 flat angles C4'-P-C4' energy: -172.337 flat angles P-C4'-P energy: -113.703 tors. eta vs tors. theta energy: -200.614 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: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2333.863033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.863033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.863033 (E_RNA) where: Base-Base interactions energy: -1576.598 where: short stacking energy: -693.372 Base-Backbone interact. energy: -3.323 local terms energy: -753.941544 where: bonds (distance) C4'-P energy: -152.378 bonds (distance) P-C4' energy: -144.420 flat angles C4'-P-C4' energy: -155.681 flat angles P-C4'-P energy: -103.810 tors. eta vs tors. theta energy: -197.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2251.681720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.681720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.681720 (E_RNA) where: Base-Base interactions energy: -1550.897 where: short stacking energy: -696.072 Base-Backbone interact. energy: 0.408 local terms energy: -701.193332 where: bonds (distance) C4'-P energy: -137.279 bonds (distance) P-C4' energy: -132.467 flat angles C4'-P-C4' energy: -163.352 flat angles P-C4'-P energy: -99.806 tors. eta vs tors. theta energy: -168.290 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: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2099.320443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.320443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.320443 (E_RNA) where: Base-Base interactions energy: -1409.021 where: short stacking energy: -641.498 Base-Backbone interact. energy: 1.690 local terms energy: -691.989511 where: bonds (distance) C4'-P energy: -145.756 bonds (distance) P-C4' energy: -131.210 flat angles C4'-P-C4' energy: -141.284 flat angles P-C4'-P energy: -110.474 tors. eta vs tors. theta energy: -163.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1959.699065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.699065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.699065 (E_RNA) where: Base-Base interactions energy: -1299.337 where: short stacking energy: -565.168 Base-Backbone interact. energy: -2.424 local terms energy: -657.937872 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -144.828 flat angles C4'-P-C4' energy: -144.530 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -126.888 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: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1769.567038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.567038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.567038 (E_RNA) where: Base-Base interactions energy: -1104.838 where: short stacking energy: -510.951 Base-Backbone interact. energy: -1.291 local terms energy: -663.438121 where: bonds (distance) C4'-P energy: -134.586 bonds (distance) P-C4' energy: -157.189 flat angles C4'-P-C4' energy: -136.722 flat angles P-C4'-P energy: -101.943 tors. eta vs tors. theta energy: -132.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1388.167861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.167861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.167861 (E_RNA) where: Base-Base interactions energy: -848.413 where: short stacking energy: -382.521 Base-Backbone interact. energy: -3.935 local terms energy: -535.820220 where: bonds (distance) C4'-P energy: -110.885 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -107.921 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -78.042 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: 110 Temperature: 1.300000 Total energy: -1088.691946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.691946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.691946 (E_RNA) where: Base-Base interactions energy: -617.178 where: short stacking energy: -305.045 Base-Backbone interact. energy: 5.470 local terms energy: -476.983680 where: bonds (distance) C4'-P energy: -135.627 bonds (distance) P-C4' energy: -126.108 flat angles C4'-P-C4' energy: -113.055 flat angles P-C4'-P energy: -62.263 tors. eta vs tors. theta energy: -39.930 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: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -828.829876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.829876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.829876 (E_RNA) where: Base-Base interactions energy: -411.226 where: short stacking energy: -230.933 Base-Backbone interact. energy: 4.987 local terms energy: -422.590898 where: bonds (distance) C4'-P energy: -129.365 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -103.727 flat angles P-C4'-P energy: -63.734 tors. eta vs tors. theta energy: 4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2575.255346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.255346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.255346 (E_RNA) where: Base-Base interactions energy: -1769.167 where: short stacking energy: -724.857 Base-Backbone interact. energy: -6.813 local terms energy: -799.274907 where: bonds (distance) C4'-P energy: -164.627 bonds (distance) P-C4' energy: -147.212 flat angles C4'-P-C4' energy: -171.214 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -208.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2509.307494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.307494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.307494 (E_RNA) where: Base-Base interactions energy: -1701.974 where: short stacking energy: -735.406 Base-Backbone interact. energy: -6.489 local terms energy: -800.844417 where: bonds (distance) C4'-P energy: -162.166 bonds (distance) P-C4' energy: -154.810 flat angles C4'-P-C4' energy: -160.341 flat angles P-C4'-P energy: -112.488 tors. eta vs tors. theta energy: -211.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2352.089217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.089217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.089217 (E_RNA) where: Base-Base interactions energy: -1574.794 where: short stacking energy: -706.553 Base-Backbone interact. energy: -1.532 local terms energy: -775.762543 where: bonds (distance) C4'-P energy: -148.740 bonds (distance) P-C4' energy: -155.253 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -100.118 tors. eta vs tors. theta energy: -203.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2227.119091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.119091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.119091 (E_RNA) where: Base-Base interactions energy: -1516.798 where: short stacking energy: -662.580 Base-Backbone interact. energy: -0.136 local terms energy: -710.184824 where: bonds (distance) C4'-P energy: -132.309 bonds (distance) P-C4' energy: -129.665 flat angles C4'-P-C4' energy: -156.070 flat angles P-C4'-P energy: -105.848 tors. eta vs tors. theta energy: -186.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2030.984220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.984220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.984220 (E_RNA) where: Base-Base interactions energy: -1390.412 where: short stacking energy: -591.210 Base-Backbone interact. energy: -0.184 local terms energy: -640.388290 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -141.716 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: -136.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1903.310509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.310509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.310509 (E_RNA) where: Base-Base interactions energy: -1253.539 where: short stacking energy: -542.889 Base-Backbone interact. energy: -1.206 local terms energy: -648.565502 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -140.799 flat angles C4'-P-C4' energy: -153.054 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -130.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1737.203888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.203888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.203888 (E_RNA) where: Base-Base interactions energy: -1120.835 where: short stacking energy: -481.640 Base-Backbone interact. energy: 0.224 local terms energy: -616.592242 where: bonds (distance) C4'-P energy: -139.209 bonds (distance) P-C4' energy: -138.659 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -90.502 tors. eta vs tors. theta energy: -104.440 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: 111 Temperature: 1.250000 Total energy: -1425.846770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.846770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.846770 (E_RNA) where: Base-Base interactions energy: -857.274 where: short stacking energy: -425.493 Base-Backbone interact. energy: -0.487 local terms energy: -568.085712 where: bonds (distance) C4'-P energy: -123.879 bonds (distance) P-C4' energy: -115.610 flat angles C4'-P-C4' energy: -136.140 flat angles P-C4'-P energy: -92.253 tors. eta vs tors. theta energy: -100.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1128.138596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.138596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.138596 (E_RNA) where: Base-Base interactions energy: -632.297 where: short stacking energy: -310.102 Base-Backbone interact. energy: -4.418 local terms energy: -491.423589 where: bonds (distance) C4'-P energy: -129.834 bonds (distance) P-C4' energy: -140.263 flat angles C4'-P-C4' energy: -110.766 flat angles P-C4'-P energy: -78.356 tors. eta vs tors. theta energy: -32.205 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: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -862.964068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.964068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.964068 (E_RNA) where: Base-Base interactions energy: -438.236 where: short stacking energy: -226.441 Base-Backbone interact. energy: -0.740 local terms energy: -423.987992 where: bonds (distance) C4'-P energy: -117.577 bonds (distance) P-C4' energy: -113.342 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -67.902 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2591.573159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.573159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.573159 (E_RNA) where: Base-Base interactions energy: -1778.148 where: short stacking energy: -764.235 Base-Backbone interact. energy: -2.232 local terms energy: -811.192645 where: bonds (distance) C4'-P energy: -143.889 bonds (distance) P-C4' energy: -155.385 flat angles C4'-P-C4' energy: -178.224 flat angles P-C4'-P energy: -121.793 tors. eta vs tors. theta energy: -211.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2491.325814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.325814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.325814 (E_RNA) where: Base-Base interactions energy: -1717.221 where: short stacking energy: -721.082 Base-Backbone interact. energy: -1.154 local terms energy: -772.951029 where: bonds (distance) C4'-P energy: -169.094 bonds (distance) P-C4' energy: -147.873 flat angles C4'-P-C4' energy: -162.372 flat angles P-C4'-P energy: -93.104 tors. eta vs tors. theta energy: -200.507 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: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2325.701133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.701133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.701133 (E_RNA) where: Base-Base interactions energy: -1573.371 where: short stacking energy: -702.517 Base-Backbone interact. energy: -3.445 local terms energy: -748.885211 where: bonds (distance) C4'-P energy: -144.503 bonds (distance) P-C4' energy: -150.706 flat angles C4'-P-C4' energy: -166.153 flat angles P-C4'-P energy: -98.076 tors. eta vs tors. theta energy: -189.447 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: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2293.914105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.914105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.914105 (E_RNA) where: Base-Base interactions energy: -1544.261 where: short stacking energy: -686.785 Base-Backbone interact. energy: -3.202 local terms energy: -746.451349 where: bonds (distance) C4'-P energy: -144.666 bonds (distance) P-C4' energy: -140.776 flat angles C4'-P-C4' energy: -158.097 flat angles P-C4'-P energy: -104.058 tors. eta vs tors. theta energy: -198.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2037.988464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.988464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.988464 (E_RNA) where: Base-Base interactions energy: -1410.827 where: short stacking energy: -580.327 Base-Backbone interact. energy: -1.534 local terms energy: -625.627509 where: bonds (distance) C4'-P energy: -133.848 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -138.509 flat angles P-C4'-P energy: -92.133 tors. eta vs tors. theta energy: -127.470 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: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1979.739954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.739954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.739954 (E_RNA) where: Base-Base interactions energy: -1304.671 where: short stacking energy: -562.731 Base-Backbone interact. energy: 6.300 local terms energy: -681.368460 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -143.056 flat angles C4'-P-C4' energy: -156.622 flat angles P-C4'-P energy: -99.409 tors. eta vs tors. theta energy: -141.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1707.251853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.251853 (E_RNA) where: Base-Base interactions energy: -1118.711 where: short stacking energy: -524.536 Base-Backbone interact. energy: 2.159 local terms energy: -590.700238 where: bonds (distance) C4'-P energy: -120.309 bonds (distance) P-C4' energy: -129.853 flat angles C4'-P-C4' energy: -141.443 flat angles P-C4'-P energy: -80.228 tors. eta vs tors. theta energy: -118.867 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: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1448.447856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.447856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.447856 (E_RNA) where: Base-Base interactions energy: -937.175 where: short stacking energy: -427.331 Base-Backbone interact. energy: -3.608 local terms energy: -507.665034 where: bonds (distance) C4'-P energy: -129.543 bonds (distance) P-C4' energy: -119.087 flat angles C4'-P-C4' energy: -112.512 flat angles P-C4'-P energy: -74.913 tors. eta vs tors. theta energy: -71.610 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: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1140.484147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.484147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.484147 (E_RNA) where: Base-Base interactions energy: -654.329 where: short stacking energy: -316.987 Base-Backbone interact. energy: 2.300 local terms energy: -488.454505 where: bonds (distance) C4'-P energy: -128.490 bonds (distance) P-C4' energy: -124.572 flat angles C4'-P-C4' energy: -132.099 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -30.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -934.657047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.657047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.657047 (E_RNA) where: Base-Base interactions energy: -520.885 where: short stacking energy: -269.094 Base-Backbone interact. energy: -0.301 local terms energy: -413.470960 where: bonds (distance) C4'-P energy: -137.890 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -99.653 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: 7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2596.805424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.805424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.805424 (E_RNA) where: Base-Base interactions energy: -1779.639 where: short stacking energy: -752.011 Base-Backbone interact. energy: -6.233 local terms energy: -810.933249 where: bonds (distance) C4'-P energy: -125.945 bonds (distance) P-C4' energy: -166.863 flat angles C4'-P-C4' energy: -188.128 flat angles P-C4'-P energy: -117.235 tors. eta vs tors. theta energy: -212.762 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: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2486.187779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.187779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.187779 (E_RNA) where: Base-Base interactions energy: -1715.141 where: short stacking energy: -738.756 Base-Backbone interact. energy: -1.757 local terms energy: -769.289219 where: bonds (distance) C4'-P energy: -137.392 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -174.048 flat angles P-C4'-P energy: -108.841 tors. eta vs tors. theta energy: -205.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2336.033119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.033119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.033119 (E_RNA) where: Base-Base interactions energy: -1567.733 where: short stacking energy: -710.202 Base-Backbone interact. energy: -4.108 local terms energy: -764.192242 where: bonds (distance) C4'-P energy: -148.745 bonds (distance) P-C4' energy: -153.415 flat angles C4'-P-C4' energy: -151.993 flat angles P-C4'-P energy: -107.451 tors. eta vs tors. theta energy: -202.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2265.030616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.030616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.030616 (E_RNA) where: Base-Base interactions energy: -1539.419 where: short stacking energy: -651.339 Base-Backbone interact. energy: 0.545 local terms energy: -726.156194 where: bonds (distance) C4'-P energy: -141.152 bonds (distance) P-C4' energy: -143.363 flat angles C4'-P-C4' energy: -169.252 flat angles P-C4'-P energy: -99.123 tors. eta vs tors. theta energy: -173.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2110.658071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.658071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.658071 (E_RNA) where: Base-Base interactions energy: -1479.957 where: short stacking energy: -630.527 Base-Backbone interact. energy: -1.641 local terms energy: -629.059330 where: bonds (distance) C4'-P energy: -125.617 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -137.963 flat angles P-C4'-P energy: -84.500 tors. eta vs tors. theta energy: -149.900 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: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1967.609647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.609647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.609647 (E_RNA) where: Base-Base interactions energy: -1300.658 where: short stacking energy: -574.369 Base-Backbone interact. energy: 0.050 local terms energy: -667.001651 where: bonds (distance) C4'-P energy: -132.196 bonds (distance) P-C4' energy: -152.686 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -153.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1694.245421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.245421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.245421 (E_RNA) where: Base-Base interactions energy: -1067.612 where: short stacking energy: -524.535 Base-Backbone interact. energy: -2.042 local terms energy: -624.591601 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -153.879 flat angles P-C4'-P energy: -96.812 tors. eta vs tors. theta energy: -121.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1444.108745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.108745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.108745 (E_RNA) where: Base-Base interactions energy: -922.933 where: short stacking energy: -397.461 Base-Backbone interact. energy: 1.234 local terms energy: -522.409276 where: bonds (distance) C4'-P energy: -134.137 bonds (distance) P-C4' energy: -145.211 flat angles C4'-P-C4' energy: -122.461 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -70.861 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: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1124.991932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.991932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.991932 (E_RNA) where: Base-Base interactions energy: -667.642 where: short stacking energy: -354.432 Base-Backbone interact. energy: -1.910 local terms energy: -455.439832 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -124.544 flat angles P-C4'-P energy: -55.569 tors. eta vs tors. theta energy: -51.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -916.610799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.610799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.610799 (E_RNA) where: Base-Base interactions energy: -506.316 where: short stacking energy: -291.080 Base-Backbone interact. energy: -1.643 local terms energy: -408.651414 where: bonds (distance) C4'-P energy: -117.724 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -117.375 flat angles P-C4'-P energy: -49.454 tors. eta vs tors. theta energy: -11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2614.169720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.169720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.169720 (E_RNA) where: Base-Base interactions energy: -1802.831 where: short stacking energy: -759.252 Base-Backbone interact. energy: -5.908 local terms energy: -805.431008 where: bonds (distance) C4'-P energy: -135.308 bonds (distance) P-C4' energy: -154.902 flat angles C4'-P-C4' energy: -174.770 flat angles P-C4'-P energy: -125.442 tors. eta vs tors. theta energy: -215.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2486.754756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.754756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.754756 (E_RNA) where: Base-Base interactions energy: -1697.083 where: short stacking energy: -720.163 Base-Backbone interact. energy: -3.597 local terms energy: -786.074751 where: bonds (distance) C4'-P energy: -150.342 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -167.602 flat angles P-C4'-P energy: -116.362 tors. eta vs tors. theta energy: -196.807 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: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2292.223155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.223155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.223155 (E_RNA) where: Base-Base interactions energy: -1558.750 where: short stacking energy: -673.661 Base-Backbone interact. energy: -2.948 local terms energy: -730.525217 where: bonds (distance) C4'-P energy: -153.135 bonds (distance) P-C4' energy: -142.861 flat angles C4'-P-C4' energy: -156.660 flat angles P-C4'-P energy: -102.081 tors. eta vs tors. theta energy: -175.789 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2221.105582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.105582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.105582 (E_RNA) where: Base-Base interactions energy: -1506.107 where: short stacking energy: -665.516 Base-Backbone interact. energy: 1.560 local terms energy: -716.558391 where: bonds (distance) C4'-P energy: -119.817 bonds (distance) P-C4' energy: -140.892 flat angles C4'-P-C4' energy: -163.594 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -182.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2070.194460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.194460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.194460 (E_RNA) where: Base-Base interactions energy: -1414.787 where: short stacking energy: -616.386 Base-Backbone interact. energy: -1.594 local terms energy: -653.813937 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -144.439 flat angles C4'-P-C4' energy: -154.720 flat angles P-C4'-P energy: -84.681 tors. eta vs tors. theta energy: -150.668 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: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2057.045693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.045693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.045693 (E_RNA) where: Base-Base interactions energy: -1398.558 where: short stacking energy: -652.694 Base-Backbone interact. energy: -1.249 local terms energy: -657.238718 where: bonds (distance) C4'-P energy: -132.854 bonds (distance) P-C4' energy: -125.650 flat angles C4'-P-C4' energy: -146.289 flat angles P-C4'-P energy: -93.469 tors. eta vs tors. theta energy: -158.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1675.052895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.052895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.052895 (E_RNA) where: Base-Base interactions energy: -1079.936 where: short stacking energy: -482.960 Base-Backbone interact. energy: 2.957 local terms energy: -598.074007 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -132.002 flat angles C4'-P-C4' energy: -140.591 flat angles P-C4'-P energy: -103.227 tors. eta vs tors. theta energy: -96.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1407.706888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.706888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.706888 (E_RNA) where: Base-Base interactions energy: -885.017 where: short stacking energy: -402.903 Base-Backbone interact. energy: 1.189 local terms energy: -523.879326 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -128.611 flat angles C4'-P-C4' energy: -144.823 flat angles P-C4'-P energy: -52.175 tors. eta vs tors. theta energy: -66.025 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: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1104.777733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.777733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.777733 (E_RNA) where: Base-Base interactions energy: -602.524 where: short stacking energy: -312.867 Base-Backbone interact. energy: -4.206 local terms energy: -498.048020 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -145.042 flat angles C4'-P-C4' energy: -120.654 flat angles P-C4'-P energy: -58.856 tors. eta vs tors. theta energy: -56.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -839.186946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.186946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.186946 (E_RNA) where: Base-Base interactions energy: -461.220 where: short stacking energy: -236.252 Base-Backbone interact. energy: 0.597 local terms energy: -378.564149 where: bonds (distance) C4'-P energy: -106.508 bonds (distance) P-C4' energy: -106.956 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -54.155 tors. eta vs tors. theta energy: -5.350 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: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2607.298975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.298975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.298975 (E_RNA) where: Base-Base interactions energy: -1808.189 where: short stacking energy: -742.331 Base-Backbone interact. energy: -6.928 local terms energy: -792.181618 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -161.452 flat angles C4'-P-C4' energy: -169.313 flat angles P-C4'-P energy: -119.678 tors. eta vs tors. theta energy: -194.983 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: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2486.020845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.020845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.020845 (E_RNA) where: Base-Base interactions energy: -1700.999 where: short stacking energy: -725.434 Base-Backbone interact. energy: 0.631 local terms energy: -785.652646 where: bonds (distance) C4'-P energy: -145.142 bonds (distance) P-C4' energy: -153.449 flat angles C4'-P-C4' energy: -168.157 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -199.271 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: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2336.017039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.017039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.017039 (E_RNA) where: Base-Base interactions energy: -1552.200 where: short stacking energy: -693.708 Base-Backbone interact. energy: -0.691 local terms energy: -783.126098 where: bonds (distance) C4'-P energy: -149.895 bonds (distance) P-C4' energy: -152.102 flat angles C4'-P-C4' energy: -170.894 flat angles P-C4'-P energy: -111.553 tors. eta vs tors. theta energy: -198.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2224.349963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.349963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.349963 (E_RNA) where: Base-Base interactions energy: -1504.715 where: short stacking energy: -661.353 Base-Backbone interact. energy: -2.214 local terms energy: -717.420771 where: bonds (distance) C4'-P energy: -146.245 bonds (distance) P-C4' energy: -132.438 flat angles C4'-P-C4' energy: -167.415 flat angles P-C4'-P energy: -99.733 tors. eta vs tors. theta energy: -171.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2090.593247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.593247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.593247 (E_RNA) where: Base-Base interactions energy: -1433.996 where: short stacking energy: -612.491 Base-Backbone interact. energy: -1.932 local terms energy: -654.665795 where: bonds (distance) C4'-P energy: -135.654 bonds (distance) P-C4' energy: -128.290 flat angles C4'-P-C4' energy: -144.305 flat angles P-C4'-P energy: -93.388 tors. eta vs tors. theta energy: -153.028 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: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2086.608533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.608533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.608533 (E_RNA) where: Base-Base interactions energy: -1422.270 where: short stacking energy: -618.078 Base-Backbone interact. energy: 3.161 local terms energy: -667.499298 where: bonds (distance) C4'-P energy: -137.780 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -149.700 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: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1737.310239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.310239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.310239 (E_RNA) where: Base-Base interactions energy: -1130.949 where: short stacking energy: -531.872 Base-Backbone interact. energy: -3.768 local terms energy: -602.593776 where: bonds (distance) C4'-P energy: -121.241 bonds (distance) P-C4' energy: -137.019 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: -119.934 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: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1367.097449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.097449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.097449 (E_RNA) where: Base-Base interactions energy: -841.093 where: short stacking energy: -397.919 Base-Backbone interact. energy: -3.737 local terms energy: -522.267916 where: bonds (distance) C4'-P energy: -115.437 bonds (distance) P-C4' energy: -108.443 flat angles C4'-P-C4' energy: -137.933 flat angles P-C4'-P energy: -81.728 tors. eta vs tors. theta energy: -78.726 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: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1055.494996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.494996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.494996 (E_RNA) where: Base-Base interactions energy: -600.132 where: short stacking energy: -324.599 Base-Backbone interact. energy: -2.898 local terms energy: -452.464280 where: bonds (distance) C4'-P energy: -107.883 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -109.097 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -42.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -846.626256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.626256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.626256 (E_RNA) where: Base-Base interactions energy: -461.159 where: short stacking energy: -249.212 Base-Backbone interact. energy: 1.224 local terms energy: -386.691289 where: bonds (distance) C4'-P energy: -101.551 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -107.948 flat angles P-C4'-P energy: -61.052 tors. eta vs tors. theta energy: 9.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2595.362942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.362942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.362942 (E_RNA) where: Base-Base interactions energy: -1799.394 where: short stacking energy: -728.033 Base-Backbone interact. energy: -3.366 local terms energy: -792.603321 where: bonds (distance) C4'-P energy: -157.017 bonds (distance) P-C4' energy: -157.658 flat angles C4'-P-C4' energy: -169.962 flat angles P-C4'-P energy: -114.201 tors. eta vs tors. theta energy: -193.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2476.534168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.534168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.534168 (E_RNA) where: Base-Base interactions energy: -1710.492 where: short stacking energy: -716.447 Base-Backbone interact. energy: -1.548 local terms energy: -764.494669 where: bonds (distance) C4'-P energy: -155.104 bonds (distance) P-C4' energy: -141.706 flat angles C4'-P-C4' energy: -172.938 flat angles P-C4'-P energy: -97.157 tors. eta vs tors. theta energy: -197.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2316.223600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.223600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.223600 (E_RNA) where: Base-Base interactions energy: -1551.500 where: short stacking energy: -657.818 Base-Backbone interact. energy: -1.741 local terms energy: -762.982660 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -153.450 flat angles C4'-P-C4' energy: -162.295 flat angles P-C4'-P energy: -107.846 tors. eta vs tors. theta energy: -189.121 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: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2202.415472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.415472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.415472 (E_RNA) where: Base-Base interactions energy: -1516.908 where: short stacking energy: -633.299 Base-Backbone interact. energy: -0.675 local terms energy: -684.832354 where: bonds (distance) C4'-P energy: -130.326 bonds (distance) P-C4' energy: -138.552 flat angles C4'-P-C4' energy: -163.449 flat angles P-C4'-P energy: -100.985 tors. eta vs tors. theta energy: -151.520 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: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2110.204228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.204228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.204228 (E_RNA) where: Base-Base interactions energy: -1430.835 where: short stacking energy: -612.101 Base-Backbone interact. energy: -1.663 local terms energy: -677.706379 where: bonds (distance) C4'-P energy: -142.177 bonds (distance) P-C4' energy: -119.781 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -98.254 tors. eta vs tors. theta energy: -163.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2030.720298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.720298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.720298 (E_RNA) where: Base-Base interactions energy: -1378.912 where: short stacking energy: -570.378 Base-Backbone interact. energy: -8.368 local terms energy: -643.440613 where: bonds (distance) C4'-P energy: -123.948 bonds (distance) P-C4' energy: -141.685 flat angles C4'-P-C4' energy: -123.969 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -147.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1697.562220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.562220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.562220 (E_RNA) where: Base-Base interactions energy: -1091.369 where: short stacking energy: -501.873 Base-Backbone interact. energy: -3.435 local terms energy: -602.758769 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -114.772 flat angles C4'-P-C4' energy: -153.926 flat angles P-C4'-P energy: -93.546 tors. eta vs tors. theta energy: -99.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1308.720405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.720405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.720405 (E_RNA) where: Base-Base interactions energy: -803.409 where: short stacking energy: -361.813 Base-Backbone interact. energy: -0.617 local terms energy: -504.694087 where: bonds (distance) C4'-P energy: -125.987 bonds (distance) P-C4' energy: -138.096 flat angles C4'-P-C4' energy: -115.417 flat angles P-C4'-P energy: -74.134 tors. eta vs tors. theta energy: -51.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1068.778471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.778471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.778471 (E_RNA) where: Base-Base interactions energy: -605.420 where: short stacking energy: -305.901 Base-Backbone interact. energy: -0.800 local terms energy: -462.557957 where: bonds (distance) C4'-P energy: -118.825 bonds (distance) P-C4' energy: -134.847 flat angles C4'-P-C4' energy: -134.669 flat angles P-C4'-P energy: -58.406 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -963.159425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.159425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.159425 (E_RNA) where: Base-Base interactions energy: -540.614 where: short stacking energy: -265.753 Base-Backbone interact. energy: -1.313 local terms energy: -421.232432 where: bonds (distance) C4'-P energy: -115.402 bonds (distance) P-C4' energy: -126.257 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -60.500 tors. eta vs tors. theta energy: -17.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2617.997714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.997714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.997714 (E_RNA) where: Base-Base interactions energy: -1831.810 where: short stacking energy: -746.284 Base-Backbone interact. energy: -3.305 local terms energy: -782.882666 where: bonds (distance) C4'-P energy: -147.977 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -176.510 flat angles P-C4'-P energy: -112.344 tors. eta vs tors. theta energy: -193.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2503.417709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.417709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.417709 (E_RNA) where: Base-Base interactions energy: -1721.394 where: short stacking energy: -722.875 Base-Backbone interact. energy: -2.095 local terms energy: -779.928796 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -142.489 flat angles C4'-P-C4' energy: -178.588 flat angles P-C4'-P energy: -118.943 tors. eta vs tors. theta energy: -203.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2328.813446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.813446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.813446 (E_RNA) where: Base-Base interactions energy: -1569.130 where: short stacking energy: -701.527 Base-Backbone interact. energy: -3.347 local terms energy: -756.336300 where: bonds (distance) C4'-P energy: -156.394 bonds (distance) P-C4' energy: -131.669 flat angles C4'-P-C4' energy: -162.325 flat angles P-C4'-P energy: -104.480 tors. eta vs tors. theta energy: -201.468 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: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2240.968997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.968997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.968997 (E_RNA) where: Base-Base interactions energy: -1553.804 where: short stacking energy: -669.383 Base-Backbone interact. energy: -1.901 local terms energy: -685.263686 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -133.532 flat angles C4'-P-C4' energy: -160.776 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -175.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2138.636399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.636399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.636399 (E_RNA) where: Base-Base interactions energy: -1445.598 where: short stacking energy: -633.951 Base-Backbone interact. energy: 2.916 local terms energy: -695.955026 where: bonds (distance) C4'-P energy: -140.880 bonds (distance) P-C4' energy: -132.788 flat angles C4'-P-C4' energy: -153.456 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -160.387 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: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2076.022409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.022409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.022409 (E_RNA) where: Base-Base interactions energy: -1439.078 where: short stacking energy: -620.028 Base-Backbone interact. energy: -2.248 local terms energy: -634.696639 where: bonds (distance) C4'-P energy: -130.185 bonds (distance) P-C4' energy: -122.938 flat angles C4'-P-C4' energy: -152.102 flat angles P-C4'-P energy: -87.108 tors. eta vs tors. theta energy: -142.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1681.013388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.013388 (E_RNA) where: Base-Base interactions energy: -1096.771 where: short stacking energy: -491.750 Base-Backbone interact. energy: 1.511 local terms energy: -585.753870 where: bonds (distance) C4'-P energy: -129.643 bonds (distance) P-C4' energy: -122.176 flat angles C4'-P-C4' energy: -126.630 flat angles P-C4'-P energy: -79.613 tors. eta vs tors. theta energy: -127.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1350.227314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.227314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.227314 (E_RNA) where: Base-Base interactions energy: -844.964 where: short stacking energy: -414.948 Base-Backbone interact. energy: -0.659 local terms energy: -504.604252 where: bonds (distance) C4'-P energy: -106.529 bonds (distance) P-C4' energy: -122.492 flat angles C4'-P-C4' energy: -131.254 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: -73.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1111.050550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.050550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.050550 (E_RNA) where: Base-Base interactions energy: -635.734 where: short stacking energy: -298.494 Base-Backbone interact. energy: -3.382 local terms energy: -471.934703 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -123.879 flat angles C4'-P-C4' energy: -133.282 flat angles P-C4'-P energy: -63.171 tors. eta vs tors. theta energy: -37.107 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: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1033.794446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.794446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.794446 (E_RNA) where: Base-Base interactions energy: -556.869 where: short stacking energy: -277.735 Base-Backbone interact. energy: 4.326 local terms energy: -481.251690 where: bonds (distance) C4'-P energy: -128.500 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -125.303 flat angles P-C4'-P energy: -72.508 tors. eta vs tors. theta energy: -7.145 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: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2603.983459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.983459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.983459 (E_RNA) where: Base-Base interactions energy: -1803.456 where: short stacking energy: -727.036 Base-Backbone interact. energy: -2.617 local terms energy: -797.910547 where: bonds (distance) C4'-P energy: -154.110 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -182.980 flat angles P-C4'-P energy: -105.500 tors. eta vs tors. theta energy: -193.541 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: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2472.378300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.378300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.378300 (E_RNA) where: Base-Base interactions energy: -1690.810 where: short stacking energy: -689.668 Base-Backbone interact. energy: -2.139 local terms energy: -779.430180 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -152.652 flat angles C4'-P-C4' energy: -179.425 flat angles P-C4'-P energy: -103.885 tors. eta vs tors. theta energy: -199.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2313.649796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.649796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.649796 (E_RNA) where: Base-Base interactions energy: -1545.551 where: short stacking energy: -699.496 Base-Backbone interact. energy: -2.519 local terms energy: -765.580134 where: bonds (distance) C4'-P energy: -133.436 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -167.769 flat angles P-C4'-P energy: -129.626 tors. eta vs tors. theta energy: -196.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2282.106808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.106808 (E_RNA) where: Base-Base interactions energy: -1577.668 where: short stacking energy: -683.609 Base-Backbone interact. energy: 2.865 local terms energy: -707.303818 where: bonds (distance) C4'-P energy: -133.304 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -149.443 flat angles P-C4'-P energy: -100.894 tors. eta vs tors. theta energy: -184.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2056.301548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.301548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.301548 (E_RNA) where: Base-Base interactions energy: -1397.387 where: short stacking energy: -586.558 Base-Backbone interact. energy: -1.904 local terms energy: -657.010969 where: bonds (distance) C4'-P energy: -136.512 bonds (distance) P-C4' energy: -122.736 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -105.855 tors. eta vs tors. theta energy: -153.173 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: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2054.594262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.594262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.594262 (E_RNA) where: Base-Base interactions energy: -1415.367 where: short stacking energy: -591.053 Base-Backbone interact. energy: -1.231 local terms energy: -637.996518 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -130.138 flat angles C4'-P-C4' energy: -144.438 flat angles P-C4'-P energy: -96.313 tors. eta vs tors. theta energy: -144.193 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: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1706.409087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.409087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.409087 (E_RNA) where: Base-Base interactions energy: -1127.517 where: short stacking energy: -517.877 Base-Backbone interact. energy: -2.415 local terms energy: -576.476829 where: bonds (distance) C4'-P energy: -119.077 bonds (distance) P-C4' energy: -133.797 flat angles C4'-P-C4' energy: -135.470 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -122.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1347.752089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.752089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.752089 (E_RNA) where: Base-Base interactions energy: -837.777 where: short stacking energy: -367.520 Base-Backbone interact. energy: -1.589 local terms energy: -508.385830 where: bonds (distance) C4'-P energy: -128.908 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -105.915 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -67.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1203.579842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.579842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.579842 (E_RNA) where: Base-Base interactions energy: -743.275 where: short stacking energy: -361.251 Base-Backbone interact. energy: 1.227 local terms energy: -461.532114 where: bonds (distance) C4'-P energy: -113.297 bonds (distance) P-C4' energy: -102.279 flat angles C4'-P-C4' energy: -129.309 flat angles P-C4'-P energy: -81.377 tors. eta vs tors. theta energy: -35.270 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: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -999.475359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.475359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.475359 (E_RNA) where: Base-Base interactions energy: -551.994 where: short stacking energy: -253.918 Base-Backbone interact. energy: 3.162 local terms energy: -450.643596 where: bonds (distance) C4'-P energy: -132.785 bonds (distance) P-C4' energy: -120.515 flat angles C4'-P-C4' energy: -111.370 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -22.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2679.479574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.479574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.479574 (E_RNA) where: Base-Base interactions energy: -1845.178 where: short stacking energy: -758.270 Base-Backbone interact. energy: -3.469 local terms energy: -830.832610 where: bonds (distance) C4'-P energy: -157.974 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -174.552 flat angles P-C4'-P energy: -133.391 tors. eta vs tors. theta energy: -211.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2516.649153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.649153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.649153 (E_RNA) where: Base-Base interactions energy: -1731.111 where: short stacking energy: -715.193 Base-Backbone interact. energy: -4.943 local terms energy: -780.594736 where: bonds (distance) C4'-P energy: -137.735 bonds (distance) P-C4' energy: -162.879 flat angles C4'-P-C4' energy: -169.188 flat angles P-C4'-P energy: -109.667 tors. eta vs tors. theta energy: -201.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2267.518266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.518266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.518266 (E_RNA) where: Base-Base interactions energy: -1513.920 where: short stacking energy: -654.376 Base-Backbone interact. energy: -2.346 local terms energy: -751.252080 where: bonds (distance) C4'-P energy: -150.662 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -167.501 flat angles P-C4'-P energy: -108.211 tors. eta vs tors. theta energy: -175.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2256.481002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.481002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.481002 (E_RNA) where: Base-Base interactions energy: -1571.424 where: short stacking energy: -667.977 Base-Backbone interact. energy: 1.341 local terms energy: -686.398020 where: bonds (distance) C4'-P energy: -132.689 bonds (distance) P-C4' energy: -136.065 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -173.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2153.152014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.152014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.152014 (E_RNA) where: Base-Base interactions energy: -1491.493 where: short stacking energy: -660.345 Base-Backbone interact. energy: -1.088 local terms energy: -660.570429 where: bonds (distance) C4'-P energy: -123.162 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -147.833 flat angles P-C4'-P energy: -84.011 tors. eta vs tors. theta energy: -157.880 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: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2117.899731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.899731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.899731 (E_RNA) where: Base-Base interactions energy: -1416.771 where: short stacking energy: -628.428 Base-Backbone interact. energy: 0.856 local terms energy: -701.984451 where: bonds (distance) C4'-P energy: -128.374 bonds (distance) P-C4' energy: -144.308 flat angles C4'-P-C4' energy: -151.438 flat angles P-C4'-P energy: -101.903 tors. eta vs tors. theta energy: -175.961 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1713.345349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.345349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.345349 (E_RNA) where: Base-Base interactions energy: -1124.290 where: short stacking energy: -492.968 Base-Backbone interact. energy: 1.412 local terms energy: -590.466908 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -155.665 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -107.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1297.473911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.473911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.473911 (E_RNA) where: Base-Base interactions energy: -774.928 where: short stacking energy: -382.646 Base-Backbone interact. energy: -1.748 local terms energy: -520.797914 where: bonds (distance) C4'-P energy: -133.225 bonds (distance) P-C4' energy: -136.610 flat angles C4'-P-C4' energy: -117.459 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -56.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1161.378519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.378519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.378519 (E_RNA) where: Base-Base interactions energy: -691.875 where: short stacking energy: -351.144 Base-Backbone interact. energy: -0.007 local terms energy: -469.496485 where: bonds (distance) C4'-P energy: -106.781 bonds (distance) P-C4' energy: -116.297 flat angles C4'-P-C4' energy: -119.082 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -55.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -977.963207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.963207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.963207 (E_RNA) where: Base-Base interactions energy: -573.328 where: short stacking energy: -309.522 Base-Backbone interact. energy: 2.127 local terms energy: -406.762279 where: bonds (distance) C4'-P energy: -121.525 bonds (distance) P-C4' energy: -103.172 flat angles C4'-P-C4' energy: -101.077 flat angles P-C4'-P energy: -74.626 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2663.053699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.053699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.053699 (E_RNA) where: Base-Base interactions energy: -1828.889 where: short stacking energy: -758.764 Base-Backbone interact. energy: -5.133 local terms energy: -829.032249 where: bonds (distance) C4'-P energy: -156.855 bonds (distance) P-C4' energy: -164.905 flat angles C4'-P-C4' energy: -173.796 flat angles P-C4'-P energy: -123.397 tors. eta vs tors. theta energy: -210.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2512.970523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.970523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.970523 (E_RNA) where: Base-Base interactions energy: -1731.221 where: short stacking energy: -733.603 Base-Backbone interact. energy: -3.121 local terms energy: -778.628742 where: bonds (distance) C4'-P energy: -145.557 bonds (distance) P-C4' energy: -150.036 flat angles C4'-P-C4' energy: -183.951 flat angles P-C4'-P energy: -103.042 tors. eta vs tors. theta energy: -196.043 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: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2357.641571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.641571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.641571 (E_RNA) where: Base-Base interactions energy: -1600.344 where: short stacking energy: -671.412 Base-Backbone interact. energy: -0.326 local terms energy: -756.971135 where: bonds (distance) C4'-P energy: -149.022 bonds (distance) P-C4' energy: -160.004 flat angles C4'-P-C4' energy: -170.157 flat angles P-C4'-P energy: -100.274 tors. eta vs tors. theta energy: -177.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2283.680711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.680711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.680711 (E_RNA) where: Base-Base interactions energy: -1555.442 where: short stacking energy: -726.244 Base-Backbone interact. energy: 7.424 local terms energy: -735.663342 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -147.820 flat angles C4'-P-C4' energy: -148.289 flat angles P-C4'-P energy: -95.777 tors. eta vs tors. theta energy: -210.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2184.295190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.295190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.295190 (E_RNA) where: Base-Base interactions energy: -1484.633 where: short stacking energy: -638.276 Base-Backbone interact. energy: -1.697 local terms energy: -697.964454 where: bonds (distance) C4'-P energy: -133.090 bonds (distance) P-C4' energy: -138.524 flat angles C4'-P-C4' energy: -162.901 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -169.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2111.278468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.278468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.278468 (E_RNA) where: Base-Base interactions energy: -1441.051 where: short stacking energy: -622.402 Base-Backbone interact. energy: -3.613 local terms energy: -666.615079 where: bonds (distance) C4'-P energy: -116.464 bonds (distance) P-C4' energy: -122.534 flat angles C4'-P-C4' energy: -148.829 flat angles P-C4'-P energy: -109.721 tors. eta vs tors. theta energy: -169.068 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: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1758.399285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.399285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.399285 (E_RNA) where: Base-Base interactions energy: -1132.153 where: short stacking energy: -524.230 Base-Backbone interact. energy: -4.368 local terms energy: -621.878194 where: bonds (distance) C4'-P energy: -135.313 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -118.284 flat angles P-C4'-P energy: -98.329 tors. eta vs tors. theta energy: -132.694 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: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1337.503168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.503168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.503168 (E_RNA) where: Base-Base interactions energy: -851.317 where: short stacking energy: -401.367 Base-Backbone interact. energy: 0.777 local terms energy: -486.962287 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -125.826 flat angles C4'-P-C4' energy: -121.081 flat angles P-C4'-P energy: -77.529 tors. eta vs tors. theta energy: -50.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1164.477788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.477788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.477788 (E_RNA) where: Base-Base interactions energy: -677.374 where: short stacking energy: -325.254 Base-Backbone interact. energy: 1.291 local terms energy: -488.395093 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -135.853 flat angles C4'-P-C4' energy: -139.053 flat angles P-C4'-P energy: -66.083 tors. eta vs tors. theta energy: -32.527 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: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1006.371050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.371050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.371050 (E_RNA) where: Base-Base interactions energy: -596.184 where: short stacking energy: -274.778 Base-Backbone interact. energy: -2.566 local terms energy: -407.620988 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -113.769 flat angles C4'-P-C4' energy: -117.126 flat angles P-C4'-P energy: -42.764 tors. eta vs tors. theta energy: -18.044 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: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2611.425480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.425480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.425480 (E_RNA) where: Base-Base interactions energy: -1797.391 where: short stacking energy: -751.979 Base-Backbone interact. energy: -1.798 local terms energy: -812.236097 where: bonds (distance) C4'-P energy: -158.490 bonds (distance) P-C4' energy: -150.322 flat angles C4'-P-C4' energy: -184.279 flat angles P-C4'-P energy: -109.398 tors. eta vs tors. theta energy: -209.747 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: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2473.171968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.171968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.171968 (E_RNA) where: Base-Base interactions energy: -1710.914 where: short stacking energy: -710.157 Base-Backbone interact. energy: -5.634 local terms energy: -756.623189 where: bonds (distance) C4'-P energy: -142.527 bonds (distance) P-C4' energy: -141.846 flat angles C4'-P-C4' energy: -173.597 flat angles P-C4'-P energy: -108.020 tors. eta vs tors. theta energy: -190.633 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: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2343.103500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.103500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.103500 (E_RNA) where: Base-Base interactions energy: -1624.870 where: short stacking energy: -687.023 Base-Backbone interact. energy: -3.954 local terms energy: -714.279923 where: bonds (distance) C4'-P energy: -136.927 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -165.959 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -184.981 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: 121 Temperature: 1.050000 Total energy: -2251.988670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.988670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.988670 (E_RNA) where: Base-Base interactions energy: -1516.312 where: short stacking energy: -672.691 Base-Backbone interact. energy: -0.819 local terms energy: -734.857955 where: bonds (distance) C4'-P energy: -147.273 bonds (distance) P-C4' energy: -138.529 flat angles C4'-P-C4' energy: -166.225 flat angles P-C4'-P energy: -108.139 tors. eta vs tors. theta energy: -174.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2164.902452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.902452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.902452 (E_RNA) where: Base-Base interactions energy: -1484.890 where: short stacking energy: -601.554 Base-Backbone interact. energy: -2.760 local terms energy: -677.252815 where: bonds (distance) C4'-P energy: -139.197 bonds (distance) P-C4' energy: -131.520 flat angles C4'-P-C4' energy: -150.595 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -143.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2028.038788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.038788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.038788 (E_RNA) where: Base-Base interactions energy: -1380.717 where: short stacking energy: -588.662 Base-Backbone interact. energy: -3.318 local terms energy: -644.003615 where: bonds (distance) C4'-P energy: -132.483 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -146.344 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -150.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1852.662992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.662992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.662992 (E_RNA) where: Base-Base interactions energy: -1247.647 where: short stacking energy: -534.626 Base-Backbone interact. energy: 5.316 local terms energy: -610.332648 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -120.643 flat angles C4'-P-C4' energy: -146.152 flat angles P-C4'-P energy: -80.381 tors. eta vs tors. theta energy: -131.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1270.183158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.183158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.183158 (E_RNA) where: Base-Base interactions energy: -794.631 where: short stacking energy: -346.099 Base-Backbone interact. energy: 1.254 local terms energy: -476.806150 where: bonds (distance) C4'-P energy: -115.335 bonds (distance) P-C4' energy: -121.894 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -68.745 tors. eta vs tors. theta energy: -47.498 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: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1191.761551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.761551 (E_RNA) where: Base-Base interactions energy: -680.298 where: short stacking energy: -352.983 Base-Backbone interact. energy: -0.211 local terms energy: -511.252667 where: bonds (distance) C4'-P energy: -131.569 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -125.314 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -58.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -962.291467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.291467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.291467 (E_RNA) where: Base-Base interactions energy: -542.794 where: short stacking energy: -299.642 Base-Backbone interact. energy: 1.172 local terms energy: -420.669899 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -120.437 flat angles C4'-P-C4' energy: -111.492 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -37.911 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: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2662.396206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.396206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.396206 (E_RNA) where: Base-Base interactions energy: -1847.203 where: short stacking energy: -765.627 Base-Backbone interact. energy: -4.074 local terms energy: -811.118807 where: bonds (distance) C4'-P energy: -160.482 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -157.764 flat angles P-C4'-P energy: -113.878 tors. eta vs tors. theta energy: -221.553 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: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2449.957640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.957640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.957640 (E_RNA) where: Base-Base interactions energy: -1669.375 where: short stacking energy: -691.637 Base-Backbone interact. energy: 4.641 local terms energy: -785.223359 where: bonds (distance) C4'-P energy: -149.925 bonds (distance) P-C4' energy: -170.601 flat angles C4'-P-C4' energy: -166.311 flat angles P-C4'-P energy: -112.902 tors. eta vs tors. theta energy: -185.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2327.765123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.765123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.765123 (E_RNA) where: Base-Base interactions energy: -1575.042 where: short stacking energy: -673.029 Base-Backbone interact. energy: -1.331 local terms energy: -751.391547 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -174.565 flat angles P-C4'-P energy: -111.389 tors. eta vs tors. theta energy: -177.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2245.970684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.970684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.970684 (E_RNA) where: Base-Base interactions energy: -1509.913 where: short stacking energy: -691.853 Base-Backbone interact. energy: -2.591 local terms energy: -733.466617 where: bonds (distance) C4'-P energy: -148.651 bonds (distance) P-C4' energy: -142.487 flat angles C4'-P-C4' energy: -163.928 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -202.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2121.412126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.412126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.412126 (E_RNA) where: Base-Base interactions energy: -1435.112 where: short stacking energy: -610.298 Base-Backbone interact. energy: 0.120 local terms energy: -686.420026 where: bonds (distance) C4'-P energy: -141.289 bonds (distance) P-C4' energy: -133.951 flat angles C4'-P-C4' energy: -158.568 flat angles P-C4'-P energy: -100.883 tors. eta vs tors. theta energy: -151.728 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: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1979.484102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.484102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.484102 (E_RNA) where: Base-Base interactions energy: -1316.091 where: short stacking energy: -549.052 Base-Backbone interact. energy: -0.164 local terms energy: -663.228385 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -136.650 flat angles C4'-P-C4' energy: -148.854 flat angles P-C4'-P energy: -102.957 tors. eta vs tors. theta energy: -141.978 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: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1947.913115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.913115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.913115 (E_RNA) where: Base-Base interactions energy: -1296.962 where: short stacking energy: -572.346 Base-Backbone interact. energy: 5.022 local terms energy: -655.973603 where: bonds (distance) C4'-P energy: -134.833 bonds (distance) P-C4' energy: -141.586 flat angles C4'-P-C4' energy: -146.493 flat angles P-C4'-P energy: -92.945 tors. eta vs tors. theta energy: -140.116 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: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1334.826137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.826137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.826137 (E_RNA) where: Base-Base interactions energy: -813.611 where: short stacking energy: -362.266 Base-Backbone interact. energy: 3.306 local terms energy: -524.520842 where: bonds (distance) C4'-P energy: -108.708 bonds (distance) P-C4' energy: -141.400 flat angles C4'-P-C4' energy: -125.122 flat angles P-C4'-P energy: -87.200 tors. eta vs tors. theta energy: -62.092 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: 122 Temperature: 1.300000 Total energy: -1254.433369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.433369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.433369 (E_RNA) where: Base-Base interactions energy: -794.987 where: short stacking energy: -367.442 Base-Backbone interact. energy: 1.318 local terms energy: -460.764022 where: bonds (distance) C4'-P energy: -110.635 bonds (distance) P-C4' energy: -127.814 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -46.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -920.988020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.988020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.988020 (E_RNA) where: Base-Base interactions energy: -482.451 where: short stacking energy: -251.553 Base-Backbone interact. energy: 4.237 local terms energy: -442.773662 where: bonds (distance) C4'-P energy: -132.820 bonds (distance) P-C4' energy: -138.530 flat angles C4'-P-C4' energy: -110.308 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -7.480 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: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2704.514551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.514551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.514551 (E_RNA) where: Base-Base interactions energy: -1896.359 where: short stacking energy: -795.402 Base-Backbone interact. energy: -8.751 local terms energy: -799.404520 where: bonds (distance) C4'-P energy: -135.765 bonds (distance) P-C4' energy: -144.017 flat angles C4'-P-C4' energy: -182.587 flat angles P-C4'-P energy: -121.185 tors. eta vs tors. theta energy: -215.851 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: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2450.782121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.782121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.782121 (E_RNA) where: Base-Base interactions energy: -1672.756 where: short stacking energy: -705.608 Base-Backbone interact. energy: -4.197 local terms energy: -773.828369 where: bonds (distance) C4'-P energy: -138.613 bonds (distance) P-C4' energy: -150.912 flat angles C4'-P-C4' energy: -175.521 flat angles P-C4'-P energy: -110.048 tors. eta vs tors. theta energy: -198.734 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: 123 Temperature: 1.000000 Total energy: -2389.209779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.209779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.209779 (E_RNA) where: Base-Base interactions energy: -1644.508 where: short stacking energy: -711.267 Base-Backbone interact. energy: -2.274 local terms energy: -742.427771 where: bonds (distance) C4'-P energy: -145.562 bonds (distance) P-C4' energy: -141.458 flat angles C4'-P-C4' energy: -160.307 flat angles P-C4'-P energy: -97.150 tors. eta vs tors. theta energy: -197.950 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: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2266.968218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.968218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.968218 (E_RNA) where: Base-Base interactions energy: -1563.141 where: short stacking energy: -695.367 Base-Backbone interact. energy: -1.055 local terms energy: -702.772574 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -150.455 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -201.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2124.762098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.762098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.762098 (E_RNA) where: Base-Base interactions energy: -1476.394 where: short stacking energy: -639.764 Base-Backbone interact. energy: 1.229 local terms energy: -649.597132 where: bonds (distance) C4'-P energy: -140.333 bonds (distance) P-C4' energy: -118.969 flat angles C4'-P-C4' energy: -132.969 flat angles P-C4'-P energy: -103.466 tors. eta vs tors. theta energy: -153.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1978.732578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.732578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.732578 (E_RNA) where: Base-Base interactions energy: -1345.328 where: short stacking energy: -559.538 Base-Backbone interact. energy: -3.748 local terms energy: -629.657082 where: bonds (distance) C4'-P energy: -138.382 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -147.032 flat angles P-C4'-P energy: -78.465 tors. eta vs tors. theta energy: -136.364 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1851.195400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.195400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.195400 (E_RNA) where: Base-Base interactions energy: -1226.127 where: short stacking energy: -516.539 Base-Backbone interact. energy: -1.582 local terms energy: -623.486570 where: bonds (distance) C4'-P energy: -143.200 bonds (distance) P-C4' energy: -116.431 flat angles C4'-P-C4' energy: -142.304 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -139.359 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1312.752485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.752485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.752485 (E_RNA) where: Base-Base interactions energy: -776.199 where: short stacking energy: -349.842 Base-Backbone interact. energy: 2.837 local terms energy: -539.390794 where: bonds (distance) C4'-P energy: -126.394 bonds (distance) P-C4' energy: -127.456 flat angles C4'-P-C4' energy: -137.600 flat angles P-C4'-P energy: -79.208 tors. eta vs tors. theta energy: -68.733 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: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1261.654448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.654448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.654448 (E_RNA) where: Base-Base interactions energy: -764.541 where: short stacking energy: -364.061 Base-Backbone interact. energy: -1.614 local terms energy: -495.499853 where: bonds (distance) C4'-P energy: -122.033 bonds (distance) P-C4' energy: -130.860 flat angles C4'-P-C4' energy: -134.043 flat angles P-C4'-P energy: -70.785 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: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -852.973088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.973088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.973088 (E_RNA) where: Base-Base interactions energy: -434.280 where: short stacking energy: -233.582 Base-Backbone interact. energy: 1.995 local terms energy: -420.688659 where: bonds (distance) C4'-P energy: -121.333 bonds (distance) P-C4' energy: -131.189 flat angles C4'-P-C4' energy: -94.281 flat angles P-C4'-P energy: -75.709 tors. eta vs tors. theta energy: 1.824 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: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2645.012061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.012061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.012061 (E_RNA) where: Base-Base interactions energy: -1830.699 where: short stacking energy: -751.046 Base-Backbone interact. energy: -4.276 local terms energy: -810.037153 where: bonds (distance) C4'-P energy: -155.044 bonds (distance) P-C4' energy: -160.396 flat angles C4'-P-C4' energy: -181.397 flat angles P-C4'-P energy: -104.517 tors. eta vs tors. theta energy: -208.683 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: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2466.495591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.495591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.495591 (E_RNA) where: Base-Base interactions energy: -1712.561 where: short stacking energy: -750.182 Base-Backbone interact. energy: -5.650 local terms energy: -748.285344 where: bonds (distance) C4'-P energy: -143.869 bonds (distance) P-C4' energy: -143.783 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -102.998 tors. eta vs tors. theta energy: -196.346 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: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2365.933978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.933978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.933978 (E_RNA) where: Base-Base interactions energy: -1616.940 where: short stacking energy: -718.322 Base-Backbone interact. energy: 3.530 local terms energy: -752.524021 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -148.874 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -113.450 tors. eta vs tors. theta energy: -200.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2294.535604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.535604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.535604 (E_RNA) where: Base-Base interactions energy: -1561.396 where: short stacking energy: -642.034 Base-Backbone interact. energy: -3.683 local terms energy: -729.455944 where: bonds (distance) C4'-P energy: -133.840 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -167.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2145.408237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.408237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.408237 (E_RNA) where: Base-Base interactions energy: -1494.283 where: short stacking energy: -632.157 Base-Backbone interact. energy: 2.239 local terms energy: -653.364645 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -143.154 flat angles C4'-P-C4' energy: -159.443 flat angles P-C4'-P energy: -94.079 tors. eta vs tors. theta energy: -140.625 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: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2039.955426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.955426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.955426 (E_RNA) where: Base-Base interactions energy: -1360.159 where: short stacking energy: -598.760 Base-Backbone interact. energy: 0.301 local terms energy: -680.097132 where: bonds (distance) C4'-P energy: -141.792 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -102.295 tors. eta vs tors. theta energy: -147.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1868.814165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.814165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.814165 (E_RNA) where: Base-Base interactions energy: -1258.751 where: short stacking energy: -556.095 Base-Backbone interact. energy: 0.802 local terms energy: -610.865515 where: bonds (distance) C4'-P energy: -127.436 bonds (distance) P-C4' energy: -136.477 flat angles C4'-P-C4' energy: -131.179 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -133.484 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: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1338.844664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.844664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.844664 (E_RNA) where: Base-Base interactions energy: -847.126 where: short stacking energy: -394.154 Base-Backbone interact. energy: 5.136 local terms energy: -496.854973 where: bonds (distance) C4'-P energy: -141.687 bonds (distance) P-C4' energy: -116.456 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -75.592 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: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1138.156502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.156502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.156502 (E_RNA) where: Base-Base interactions energy: -667.621 where: short stacking energy: -350.376 Base-Backbone interact. energy: -1.151 local terms energy: -469.384814 where: bonds (distance) C4'-P energy: -107.561 bonds (distance) P-C4' energy: -117.497 flat angles C4'-P-C4' energy: -115.280 flat angles P-C4'-P energy: -83.010 tors. eta vs tors. theta energy: -46.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -959.963578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.963578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.963578 (E_RNA) where: Base-Base interactions energy: -528.986 where: short stacking energy: -273.973 Base-Backbone interact. energy: 2.186 local terms energy: -433.163701 where: bonds (distance) C4'-P energy: -116.148 bonds (distance) P-C4' energy: -119.479 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -62.336 tors. eta vs tors. theta energy: -21.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2656.446447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.446447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.446447 (E_RNA) where: Base-Base interactions energy: -1875.898 where: short stacking energy: -776.656 Base-Backbone interact. energy: 3.357 local terms energy: -783.905188 where: bonds (distance) C4'-P energy: -144.499 bonds (distance) P-C4' energy: -152.435 flat angles C4'-P-C4' energy: -174.743 flat angles P-C4'-P energy: -111.703 tors. eta vs tors. theta energy: -200.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2477.558580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.558580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.558580 (E_RNA) where: Base-Base interactions energy: -1714.494 where: short stacking energy: -725.884 Base-Backbone interact. energy: -0.251 local terms energy: -762.813660 where: bonds (distance) C4'-P energy: -156.118 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -163.279 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -190.968 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: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2344.255265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.255265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.255265 (E_RNA) where: Base-Base interactions energy: -1589.234 where: short stacking energy: -685.290 Base-Backbone interact. energy: -1.875 local terms energy: -753.146798 where: bonds (distance) C4'-P energy: -156.261 bonds (distance) P-C4' energy: -141.156 flat angles C4'-P-C4' energy: -161.047 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -191.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2338.603532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.603532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.603532 (E_RNA) where: Base-Base interactions energy: -1615.422 where: short stacking energy: -668.698 Base-Backbone interact. energy: 2.125 local terms energy: -725.306159 where: bonds (distance) C4'-P energy: -148.752 bonds (distance) P-C4' energy: -146.182 flat angles C4'-P-C4' energy: -155.720 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -182.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2139.788397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.788397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.788397 (E_RNA) where: Base-Base interactions energy: -1445.534 where: short stacking energy: -599.279 Base-Backbone interact. energy: 0.363 local terms energy: -694.616922 where: bonds (distance) C4'-P energy: -130.959 bonds (distance) P-C4' energy: -140.637 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -107.297 tors. eta vs tors. theta energy: -160.369 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: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2027.827156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.827156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.827156 (E_RNA) where: Base-Base interactions energy: -1380.719 where: short stacking energy: -584.635 Base-Backbone interact. energy: 3.402 local terms energy: -650.510377 where: bonds (distance) C4'-P energy: -114.048 bonds (distance) P-C4' energy: -137.987 flat angles C4'-P-C4' energy: -144.182 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -158.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1857.628596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.628596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.628596 (E_RNA) where: Base-Base interactions energy: -1236.781 where: short stacking energy: -523.081 Base-Backbone interact. energy: 0.852 local terms energy: -621.699200 where: bonds (distance) C4'-P energy: -118.905 bonds (distance) P-C4' energy: -128.868 flat angles C4'-P-C4' energy: -142.598 flat angles P-C4'-P energy: -95.827 tors. eta vs tors. theta energy: -135.501 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: 125 Temperature: 1.250000 Total energy: -1302.555150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.555150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.555150 (E_RNA) where: Base-Base interactions energy: -787.123 where: short stacking energy: -375.785 Base-Backbone interact. energy: 0.350 local terms energy: -515.781328 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -130.915 flat angles C4'-P-C4' energy: -130.304 flat angles P-C4'-P energy: -76.343 tors. eta vs tors. theta energy: -65.965 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: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1138.305635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.305635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.305635 (E_RNA) where: Base-Base interactions energy: -650.982 where: short stacking energy: -324.605 Base-Backbone interact. energy: 0.995 local terms energy: -488.319142 where: bonds (distance) C4'-P energy: -116.539 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -69.134 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: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -908.061332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.061332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.061332 (E_RNA) where: Base-Base interactions energy: -498.512 where: short stacking energy: -263.213 Base-Backbone interact. energy: 1.600 local terms energy: -411.149719 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -140.034 flat angles C4'-P-C4' energy: -106.038 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2625.452097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.452097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.452097 (E_RNA) where: Base-Base interactions energy: -1832.378 where: short stacking energy: -741.626 Base-Backbone interact. energy: -1.691 local terms energy: -791.383504 where: bonds (distance) C4'-P energy: -152.549 bonds (distance) P-C4' energy: -150.378 flat angles C4'-P-C4' energy: -165.329 flat angles P-C4'-P energy: -108.879 tors. eta vs tors. theta energy: -214.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2481.148356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.148356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.148356 (E_RNA) where: Base-Base interactions energy: -1717.046 where: short stacking energy: -716.851 Base-Backbone interact. energy: -1.946 local terms energy: -762.156614 where: bonds (distance) C4'-P energy: -147.468 bonds (distance) P-C4' energy: -149.191 flat angles C4'-P-C4' energy: -164.465 flat angles P-C4'-P energy: -103.519 tors. eta vs tors. theta energy: -197.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2422.132918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.132918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.132918 (E_RNA) where: Base-Base interactions energy: -1668.684 where: short stacking energy: -691.755 Base-Backbone interact. energy: 0.142 local terms energy: -753.591508 where: bonds (distance) C4'-P energy: -149.155 bonds (distance) P-C4' energy: -140.715 flat angles C4'-P-C4' energy: -165.988 flat angles P-C4'-P energy: -105.941 tors. eta vs tors. theta energy: -191.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2267.649759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.649759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.649759 (E_RNA) where: Base-Base interactions energy: -1518.180 where: short stacking energy: -668.801 Base-Backbone interact. energy: -1.050 local terms energy: -748.420484 where: bonds (distance) C4'-P energy: -132.733 bonds (distance) P-C4' energy: -141.627 flat angles C4'-P-C4' energy: -162.628 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -201.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2162.912896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.912896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.912896 (E_RNA) where: Base-Base interactions energy: -1489.748 where: short stacking energy: -611.462 Base-Backbone interact. energy: -3.772 local terms energy: -669.393138 where: bonds (distance) C4'-P energy: -115.651 bonds (distance) P-C4' energy: -150.874 flat angles C4'-P-C4' energy: -153.111 flat angles P-C4'-P energy: -106.993 tors. eta vs tors. theta energy: -142.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2063.280072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.280072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.280072 (E_RNA) where: Base-Base interactions energy: -1391.830 where: short stacking energy: -585.903 Base-Backbone interact. energy: 1.381 local terms energy: -672.831305 where: bonds (distance) C4'-P energy: -128.094 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -170.808 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -140.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1837.210932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.210932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.210932 (E_RNA) where: Base-Base interactions energy: -1224.949 where: short stacking energy: -523.929 Base-Backbone interact. energy: -5.118 local terms energy: -607.144362 where: bonds (distance) C4'-P energy: -134.992 bonds (distance) P-C4' energy: -133.372 flat angles C4'-P-C4' energy: -137.771 flat angles P-C4'-P energy: -74.188 tors. eta vs tors. theta energy: -126.820 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: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1243.583319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.583319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.583319 (E_RNA) where: Base-Base interactions energy: -742.112 where: short stacking energy: -367.438 Base-Backbone interact. energy: 0.345 local terms energy: -501.816813 where: bonds (distance) C4'-P energy: -133.371 bonds (distance) P-C4' energy: -102.253 flat angles C4'-P-C4' energy: -129.181 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -69.697 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: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1051.735796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.735796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.735796 (E_RNA) where: Base-Base interactions energy: -608.673 where: short stacking energy: -288.909 Base-Backbone interact. energy: 1.461 local terms energy: -444.523553 where: bonds (distance) C4'-P energy: -114.310 bonds (distance) P-C4' energy: -100.144 flat angles C4'-P-C4' energy: -119.003 flat angles P-C4'-P energy: -87.367 tors. eta vs tors. theta energy: -23.699 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: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -937.966947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.966947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.966947 (E_RNA) where: Base-Base interactions energy: -524.728 where: short stacking energy: -252.588 Base-Backbone interact. energy: 9.934 local terms energy: -423.173432 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -93.347 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: 0.848 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2629.588346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.588346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.588346 (E_RNA) where: Base-Base interactions energy: -1822.261 where: short stacking energy: -739.463 Base-Backbone interact. energy: -3.208 local terms energy: -804.119545 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -153.632 flat angles C4'-P-C4' energy: -181.798 flat angles P-C4'-P energy: -122.580 tors. eta vs tors. theta energy: -203.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2477.348682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.348682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.348682 (E_RNA) where: Base-Base interactions energy: -1695.596 where: short stacking energy: -699.212 Base-Backbone interact. energy: 0.859 local terms energy: -782.610764 where: bonds (distance) C4'-P energy: -151.118 bonds (distance) P-C4' energy: -173.856 flat angles C4'-P-C4' energy: -160.894 flat angles P-C4'-P energy: -115.315 tors. eta vs tors. theta energy: -181.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2407.443329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.443329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.443329 (E_RNA) where: Base-Base interactions energy: -1681.966 where: short stacking energy: -688.284 Base-Backbone interact. energy: -4.617 local terms energy: -720.860148 where: bonds (distance) C4'-P energy: -135.865 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -145.428 flat angles P-C4'-P energy: -105.598 tors. eta vs tors. theta energy: -190.680 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: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2268.462078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.462078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.462078 (E_RNA) where: Base-Base interactions energy: -1523.834 where: short stacking energy: -697.150 Base-Backbone interact. energy: -2.378 local terms energy: -742.250284 where: bonds (distance) C4'-P energy: -117.375 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -168.433 flat angles P-C4'-P energy: -106.511 tors. eta vs tors. theta energy: -202.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2189.980219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.980219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.980219 (E_RNA) where: Base-Base interactions energy: -1510.418 where: short stacking energy: -670.172 Base-Backbone interact. energy: -4.963 local terms energy: -674.599214 where: bonds (distance) C4'-P energy: -117.762 bonds (distance) P-C4' energy: -134.957 flat angles C4'-P-C4' energy: -154.226 flat angles P-C4'-P energy: -98.043 tors. eta vs tors. theta energy: -169.610 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: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2065.278370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.278370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.278370 (E_RNA) where: Base-Base interactions energy: -1380.129 where: short stacking energy: -585.320 Base-Backbone interact. energy: -1.701 local terms energy: -683.448793 where: bonds (distance) C4'-P energy: -136.497 bonds (distance) P-C4' energy: -133.434 flat angles C4'-P-C4' energy: -159.681 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: -155.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1853.421999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.421999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.421999 (E_RNA) where: Base-Base interactions energy: -1221.117 where: short stacking energy: -545.120 Base-Backbone interact. energy: -1.046 local terms energy: -631.259013 where: bonds (distance) C4'-P energy: -120.406 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -139.844 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -136.802 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: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1260.093987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.093987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.093987 (E_RNA) where: Base-Base interactions energy: -749.792 where: short stacking energy: -361.242 Base-Backbone interact. energy: -3.229 local terms energy: -507.072825 where: bonds (distance) C4'-P energy: -129.809 bonds (distance) P-C4' energy: -142.510 flat angles C4'-P-C4' energy: -134.509 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -47.726 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: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1175.958415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.958415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.958415 (E_RNA) where: Base-Base interactions energy: -708.855 where: short stacking energy: -332.781 Base-Backbone interact. energy: -3.114 local terms energy: -463.989755 where: bonds (distance) C4'-P energy: -109.358 bonds (distance) P-C4' energy: -129.623 flat angles C4'-P-C4' energy: -108.370 flat angles P-C4'-P energy: -70.434 tors. eta vs tors. theta energy: -46.204 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: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -915.158871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.158871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.158871 (E_RNA) where: Base-Base interactions energy: -511.575 where: short stacking energy: -246.424 Base-Backbone interact. energy: 8.468 local terms energy: -412.051822 where: bonds (distance) C4'-P energy: -109.706 bonds (distance) P-C4' energy: -113.177 flat angles C4'-P-C4' energy: -122.807 flat angles P-C4'-P energy: -63.094 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2671.376064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.376064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.376064 (E_RNA) where: Base-Base interactions energy: -1871.464 where: short stacking energy: -746.458 Base-Backbone interact. energy: -7.941 local terms energy: -791.970871 where: bonds (distance) C4'-P energy: -154.890 bonds (distance) P-C4' energy: -150.265 flat angles C4'-P-C4' energy: -169.060 flat angles P-C4'-P energy: -111.155 tors. eta vs tors. theta energy: -206.601 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: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2485.173211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.173211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.173211 (E_RNA) where: Base-Base interactions energy: -1703.287 where: short stacking energy: -721.050 Base-Backbone interact. energy: -1.847 local terms energy: -780.039801 where: bonds (distance) C4'-P energy: -141.475 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -177.671 flat angles P-C4'-P energy: -127.773 tors. eta vs tors. theta energy: -188.020 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: 128 Temperature: 1.000000 Total energy: -2429.556187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.556187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.556187 (E_RNA) where: Base-Base interactions energy: -1667.558 where: short stacking energy: -698.796 Base-Backbone interact. energy: -4.681 local terms energy: -757.317226 where: bonds (distance) C4'-P energy: -141.234 bonds (distance) P-C4' energy: -152.978 flat angles C4'-P-C4' energy: -158.436 flat angles P-C4'-P energy: -97.814 tors. eta vs tors. theta energy: -206.855 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: 128 Temperature: 1.050000 Total energy: -2245.410769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.410769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.410769 (E_RNA) where: Base-Base interactions energy: -1506.917 where: short stacking energy: -675.677 Base-Backbone interact. energy: -1.750 local terms energy: -736.744160 where: bonds (distance) C4'-P energy: -150.926 bonds (distance) P-C4' energy: -142.652 flat angles C4'-P-C4' energy: -161.185 flat angles P-C4'-P energy: -90.439 tors. eta vs tors. theta energy: -191.542 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: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2221.647423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.647423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.647423 (E_RNA) where: Base-Base interactions energy: -1540.252 where: short stacking energy: -654.255 Base-Backbone interact. energy: -2.724 local terms energy: -678.671096 where: bonds (distance) C4'-P energy: -134.710 bonds (distance) P-C4' energy: -130.984 flat angles C4'-P-C4' energy: -145.076 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -171.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2055.213312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.213312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.213312 (E_RNA) where: Base-Base interactions energy: -1382.923 where: short stacking energy: -600.641 Base-Backbone interact. energy: 1.854 local terms energy: -674.144024 where: bonds (distance) C4'-P energy: -114.118 bonds (distance) P-C4' energy: -135.433 flat angles C4'-P-C4' energy: -160.505 flat angles P-C4'-P energy: -103.822 tors. eta vs tors. theta energy: -160.267 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: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1766.709339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.709339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.709339 (E_RNA) where: Base-Base interactions energy: -1139.819 where: short stacking energy: -517.947 Base-Backbone interact. energy: 0.620 local terms energy: -627.510396 where: bonds (distance) C4'-P energy: -138.155 bonds (distance) P-C4' energy: -132.475 flat angles C4'-P-C4' energy: -133.039 flat angles P-C4'-P energy: -90.298 tors. eta vs tors. theta energy: -133.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1210.631087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.631087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.631087 (E_RNA) where: Base-Base interactions energy: -709.540 where: short stacking energy: -354.347 Base-Backbone interact. energy: -0.472 local terms energy: -500.618902 where: bonds (distance) C4'-P energy: -101.961 bonds (distance) P-C4' energy: -137.676 flat angles C4'-P-C4' energy: -138.805 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -53.795 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: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1120.930629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.930629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.930629 (E_RNA) where: Base-Base interactions energy: -657.928 where: short stacking energy: -281.942 Base-Backbone interact. energy: -1.104 local terms energy: -461.898615 where: bonds (distance) C4'-P energy: -139.179 bonds (distance) P-C4' energy: -109.687 flat angles C4'-P-C4' energy: -107.985 flat angles P-C4'-P energy: -86.544 tors. eta vs tors. theta energy: -18.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1014.153202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.153202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.153202 (E_RNA) where: Base-Base interactions energy: -570.683 where: short stacking energy: -253.583 Base-Backbone interact. energy: -2.748 local terms energy: -440.722137 where: bonds (distance) C4'-P energy: -91.009 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -120.481 flat angles P-C4'-P energy: -75.679 tors. eta vs tors. theta energy: -26.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2660.664396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.664396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.664396 (E_RNA) where: Base-Base interactions energy: -1837.200 where: short stacking energy: -748.186 Base-Backbone interact. energy: -2.578 local terms energy: -820.887054 where: bonds (distance) C4'-P energy: -159.495 bonds (distance) P-C4' energy: -159.773 flat angles C4'-P-C4' energy: -175.861 flat angles P-C4'-P energy: -113.237 tors. eta vs tors. theta energy: -212.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2520.173455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.173455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.173455 (E_RNA) where: Base-Base interactions energy: -1738.977 where: short stacking energy: -734.591 Base-Backbone interact. energy: -0.585 local terms energy: -780.611176 where: bonds (distance) C4'-P energy: -139.300 bonds (distance) P-C4' energy: -158.986 flat angles C4'-P-C4' energy: -172.992 flat angles P-C4'-P energy: -106.060 tors. eta vs tors. theta energy: -203.273 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: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2439.987188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.987188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.987188 (E_RNA) where: Base-Base interactions energy: -1647.468 where: short stacking energy: -717.053 Base-Backbone interact. energy: -0.018 local terms energy: -792.501838 where: bonds (distance) C4'-P energy: -150.764 bonds (distance) P-C4' energy: -150.993 flat angles C4'-P-C4' energy: -181.202 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -205.288 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2242.231085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.231085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.231085 (E_RNA) where: Base-Base interactions energy: -1497.376 where: short stacking energy: -666.072 Base-Backbone interact. energy: -5.455 local terms energy: -739.400187 where: bonds (distance) C4'-P energy: -135.455 bonds (distance) P-C4' energy: -154.347 flat angles C4'-P-C4' energy: -153.308 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -189.626 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: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2125.325313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.325313 (E_RNA) where: Base-Base interactions energy: -1457.272 where: short stacking energy: -597.260 Base-Backbone interact. energy: -4.837 local terms energy: -663.216692 where: bonds (distance) C4'-P energy: -119.497 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -149.427 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -166.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1993.395644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.395644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.395644 (E_RNA) where: Base-Base interactions energy: -1330.167 where: short stacking energy: -560.377 Base-Backbone interact. energy: -1.209 local terms energy: -662.020189 where: bonds (distance) C4'-P energy: -139.251 bonds (distance) P-C4' energy: -137.285 flat angles C4'-P-C4' energy: -145.574 flat angles P-C4'-P energy: -97.632 tors. eta vs tors. theta energy: -142.277 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: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1735.125013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.125013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.125013 (E_RNA) where: Base-Base interactions energy: -1132.977 where: short stacking energy: -527.337 Base-Backbone interact. energy: -1.829 local terms energy: -600.318935 where: bonds (distance) C4'-P energy: -123.051 bonds (distance) P-C4' energy: -131.517 flat angles C4'-P-C4' energy: -143.094 flat angles P-C4'-P energy: -72.608 tors. eta vs tors. theta energy: -130.049 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: 129 Temperature: 1.250000 Total energy: -1270.487564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.487564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.487564 (E_RNA) where: Base-Base interactions energy: -724.864 where: short stacking energy: -359.287 Base-Backbone interact. energy: -2.730 local terms energy: -542.894261 where: bonds (distance) C4'-P energy: -120.463 bonds (distance) P-C4' energy: -118.689 flat angles C4'-P-C4' energy: -149.496 flat angles P-C4'-P energy: -91.045 tors. eta vs tors. theta energy: -63.201 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: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -992.745246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.745246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.745246 (E_RNA) where: Base-Base interactions energy: -541.884 where: short stacking energy: -286.064 Base-Backbone interact. energy: -2.743 local terms energy: -448.118112 where: bonds (distance) C4'-P energy: -107.713 bonds (distance) P-C4' energy: -128.586 flat angles C4'-P-C4' energy: -101.480 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -44.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1025.469213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.469213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.469213 (E_RNA) where: Base-Base interactions energy: -587.459 where: short stacking energy: -254.948 Base-Backbone interact. energy: 2.513 local terms energy: -440.523419 where: bonds (distance) C4'-P energy: -136.051 bonds (distance) P-C4' energy: -125.216 flat angles C4'-P-C4' energy: -120.198 flat angles P-C4'-P energy: -53.827 tors. eta vs tors. theta energy: -5.231 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: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2674.252770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.252770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.252770 (E_RNA) where: Base-Base interactions energy: -1846.379 where: short stacking energy: -772.528 Base-Backbone interact. energy: -6.324 local terms energy: -821.549972 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -151.928 flat angles C4'-P-C4' energy: -172.383 flat angles P-C4'-P energy: -129.270 tors. eta vs tors. theta energy: -229.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2575.874206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.874206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.874206 (E_RNA) where: Base-Base interactions energy: -1784.619 where: short stacking energy: -736.090 Base-Backbone interact. energy: -0.372 local terms energy: -790.883745 where: bonds (distance) C4'-P energy: -159.429 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -174.980 flat angles P-C4'-P energy: -93.834 tors. eta vs tors. theta energy: -199.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2429.984485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.984485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.984485 (E_RNA) where: Base-Base interactions energy: -1653.540 where: short stacking energy: -685.383 Base-Backbone interact. energy: -6.480 local terms energy: -769.964495 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -164.546 flat angles P-C4'-P energy: -114.900 tors. eta vs tors. theta energy: -190.911 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2245.223946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.223946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.223946 (E_RNA) where: Base-Base interactions energy: -1542.222 where: short stacking energy: -676.174 Base-Backbone interact. energy: -1.949 local terms energy: -701.052907 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -144.991 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -101.804 tors. eta vs tors. theta energy: -190.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2203.343256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.343256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.343256 (E_RNA) where: Base-Base interactions energy: -1502.205 where: short stacking energy: -629.756 Base-Backbone interact. energy: -5.290 local terms energy: -695.848469 where: bonds (distance) C4'-P energy: -139.944 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -146.515 flat angles P-C4'-P energy: -100.335 tors. eta vs tors. theta energy: -168.659 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: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1929.396423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.396423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.396423 (E_RNA) where: Base-Base interactions energy: -1271.114 where: short stacking energy: -521.980 Base-Backbone interact. energy: -2.779 local terms energy: -655.503100 where: bonds (distance) C4'-P energy: -118.764 bonds (distance) P-C4' energy: -158.107 flat angles C4'-P-C4' energy: -147.418 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -127.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1770.006893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.006893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.006893 (E_RNA) where: Base-Base interactions energy: -1174.650 where: short stacking energy: -508.761 Base-Backbone interact. energy: -1.237 local terms energy: -594.119628 where: bonds (distance) C4'-P energy: -126.252 bonds (distance) P-C4' energy: -129.998 flat angles C4'-P-C4' energy: -148.681 flat angles P-C4'-P energy: -66.148 tors. eta vs tors. theta energy: -123.041 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: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1282.352440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.352440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.352440 (E_RNA) where: Base-Base interactions energy: -772.906 where: short stacking energy: -365.962 Base-Backbone interact. energy: 3.612 local terms energy: -513.059135 where: bonds (distance) C4'-P energy: -110.908 bonds (distance) P-C4' energy: -141.377 flat angles C4'-P-C4' energy: -120.907 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -43.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1075.393495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.393495 (E_RNA) where: Base-Base interactions energy: -620.844 where: short stacking energy: -305.835 Base-Backbone interact. energy: 0.431 local terms energy: -454.980554 where: bonds (distance) C4'-P energy: -133.326 bonds (distance) P-C4' energy: -128.439 flat angles C4'-P-C4' energy: -111.470 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -8.338 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -925.746788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.746788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.746788 (E_RNA) where: Base-Base interactions energy: -517.647 where: short stacking energy: -274.584 Base-Backbone interact. energy: 1.824 local terms energy: -409.923614 where: bonds (distance) C4'-P energy: -127.042 bonds (distance) P-C4' energy: -119.491 flat angles C4'-P-C4' energy: -85.174 flat angles P-C4'-P energy: -63.219 tors. eta vs tors. theta energy: -14.997 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: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2652.938619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.938619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.938619 (E_RNA) where: Base-Base interactions energy: -1836.402 where: short stacking energy: -742.531 Base-Backbone interact. energy: -5.061 local terms energy: -811.476174 where: bonds (distance) C4'-P energy: -155.458 bonds (distance) P-C4' energy: -155.402 flat angles C4'-P-C4' energy: -169.159 flat angles P-C4'-P energy: -112.653 tors. eta vs tors. theta energy: -218.805 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: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2577.165222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.165222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.165222 (E_RNA) where: Base-Base interactions energy: -1801.759 where: short stacking energy: -730.484 Base-Backbone interact. energy: 1.827 local terms energy: -777.233373 where: bonds (distance) C4'-P energy: -140.376 bonds (distance) P-C4' energy: -161.577 flat angles C4'-P-C4' energy: -169.658 flat angles P-C4'-P energy: -100.920 tors. eta vs tors. theta energy: -204.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2391.685211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.685211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.685211 (E_RNA) where: Base-Base interactions energy: -1637.812 where: short stacking energy: -707.518 Base-Backbone interact. energy: -4.482 local terms energy: -749.390941 where: bonds (distance) C4'-P energy: -143.159 bonds (distance) P-C4' energy: -143.726 flat angles C4'-P-C4' energy: -167.246 flat angles P-C4'-P energy: -105.221 tors. eta vs tors. theta energy: -190.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2217.235468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.235468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.235468 (E_RNA) where: Base-Base interactions energy: -1450.024 where: short stacking energy: -643.222 Base-Backbone interact. energy: -2.809 local terms energy: -764.401976 where: bonds (distance) C4'-P energy: -148.885 bonds (distance) P-C4' energy: -144.589 flat angles C4'-P-C4' energy: -169.192 flat angles P-C4'-P energy: -103.097 tors. eta vs tors. theta energy: -198.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2207.090557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.090557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.090557 (E_RNA) where: Base-Base interactions energy: -1515.877 where: short stacking energy: -629.983 Base-Backbone interact. energy: -2.805 local terms energy: -688.408232 where: bonds (distance) C4'-P energy: -130.938 bonds (distance) P-C4' energy: -153.859 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -163.922 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: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1940.831586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.831586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.831586 (E_RNA) where: Base-Base interactions energy: -1269.912 where: short stacking energy: -565.430 Base-Backbone interact. energy: -1.907 local terms energy: -669.012428 where: bonds (distance) C4'-P energy: -141.463 bonds (distance) P-C4' energy: -132.509 flat angles C4'-P-C4' energy: -157.307 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -150.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1721.262750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.262750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.262750 (E_RNA) where: Base-Base interactions energy: -1139.034 where: short stacking energy: -475.196 Base-Backbone interact. energy: -0.354 local terms energy: -581.875335 where: bonds (distance) C4'-P energy: -121.850 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -132.227 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -117.615 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: 131 Temperature: 1.250000 Total energy: -1331.699630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.699630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.699630 (E_RNA) where: Base-Base interactions energy: -798.156 where: short stacking energy: -411.575 Base-Backbone interact. energy: -2.941 local terms energy: -530.602216 where: bonds (distance) C4'-P energy: -122.846 bonds (distance) P-C4' energy: -122.613 flat angles C4'-P-C4' energy: -139.471 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: -84.514 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: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1093.800979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.800979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.800979 (E_RNA) where: Base-Base interactions energy: -652.551 where: short stacking energy: -299.214 Base-Backbone interact. energy: 2.051 local terms energy: -443.301452 where: bonds (distance) C4'-P energy: -109.232 bonds (distance) P-C4' energy: -110.145 flat angles C4'-P-C4' energy: -117.514 flat angles P-C4'-P energy: -78.928 tors. eta vs tors. theta energy: -27.483 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: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -901.775174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.775174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.775174 (E_RNA) where: Base-Base interactions energy: -462.822 where: short stacking energy: -264.048 Base-Backbone interact. energy: 4.175 local terms energy: -443.128524 where: bonds (distance) C4'-P energy: -116.888 bonds (distance) P-C4' energy: -120.744 flat angles C4'-P-C4' energy: -113.060 flat angles P-C4'-P energy: -75.112 tors. eta vs tors. theta energy: -17.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2647.174057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.174057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.174057 (E_RNA) where: Base-Base interactions energy: -1845.250 where: short stacking energy: -761.718 Base-Backbone interact. energy: -2.690 local terms energy: -799.233765 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -177.772 flat angles P-C4'-P energy: -113.630 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: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2522.645561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.645561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.645561 (E_RNA) where: Base-Base interactions energy: -1765.271 where: short stacking energy: -707.434 Base-Backbone interact. energy: -1.982 local terms energy: -755.392706 where: bonds (distance) C4'-P energy: -150.802 bonds (distance) P-C4' energy: -148.976 flat angles C4'-P-C4' energy: -159.349 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -194.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2397.416356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.416356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.416356 (E_RNA) where: Base-Base interactions energy: -1618.641 where: short stacking energy: -707.394 Base-Backbone interact. energy: -2.219 local terms energy: -776.556378 where: bonds (distance) C4'-P energy: -134.155 bonds (distance) P-C4' energy: -162.939 flat angles C4'-P-C4' energy: -173.673 flat angles P-C4'-P energy: -121.660 tors. eta vs tors. theta energy: -184.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2207.632556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.632556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.632556 (E_RNA) where: Base-Base interactions energy: -1467.489 where: short stacking energy: -673.171 Base-Backbone interact. energy: -1.392 local terms energy: -738.751690 where: bonds (distance) C4'-P energy: -138.442 bonds (distance) P-C4' energy: -142.915 flat angles C4'-P-C4' energy: -157.185 flat angles P-C4'-P energy: -107.984 tors. eta vs tors. theta energy: -192.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2116.473779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.473779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.473779 (E_RNA) where: Base-Base interactions energy: -1446.963 where: short stacking energy: -597.460 Base-Backbone interact. energy: -0.492 local terms energy: -669.019463 where: bonds (distance) C4'-P energy: -139.688 bonds (distance) P-C4' energy: -151.734 flat angles C4'-P-C4' energy: -156.589 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -129.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1966.350058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.350058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.350058 (E_RNA) where: Base-Base interactions energy: -1323.827 where: short stacking energy: -557.553 Base-Backbone interact. energy: -4.592 local terms energy: -637.931255 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -132.265 flat angles C4'-P-C4' energy: -155.461 flat angles P-C4'-P energy: -83.865 tors. eta vs tors. theta energy: -134.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1774.624005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.624005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.624005 (E_RNA) where: Base-Base interactions energy: -1181.381 where: short stacking energy: -490.486 Base-Backbone interact. energy: -2.619 local terms energy: -590.623533 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -153.574 flat angles C4'-P-C4' energy: -130.068 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -117.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1345.248886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.248886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.248886 (E_RNA) where: Base-Base interactions energy: -783.432 where: short stacking energy: -368.895 Base-Backbone interact. energy: -1.303 local terms energy: -560.514030 where: bonds (distance) C4'-P energy: -136.646 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -118.155 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -71.367 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: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1119.452551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.452551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.452551 (E_RNA) where: Base-Base interactions energy: -621.820 where: short stacking energy: -305.050 Base-Backbone interact. energy: 3.257 local terms energy: -500.889041 where: bonds (distance) C4'-P energy: -135.342 bonds (distance) P-C4' energy: -135.543 flat angles C4'-P-C4' energy: -128.453 flat angles P-C4'-P energy: -78.919 tors. eta vs tors. theta energy: -22.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -899.709890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.709890 (E_RNA) where: Base-Base interactions energy: -475.279 where: short stacking energy: -252.907 Base-Backbone interact. energy: -1.839 local terms energy: -422.591285 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -100.215 flat angles P-C4'-P energy: -69.698 tors. eta vs tors. theta energy: 0.229 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: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2676.314846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.314846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.314846 (E_RNA) where: Base-Base interactions energy: -1863.165 where: short stacking energy: -782.958 Base-Backbone interact. energy: -1.998 local terms energy: -811.151492 where: bonds (distance) C4'-P energy: -145.416 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -169.627 flat angles P-C4'-P energy: -133.026 tors. eta vs tors. theta energy: -219.560 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: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2570.270181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.270181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.270181 (E_RNA) where: Base-Base interactions energy: -1788.988 where: short stacking energy: -741.153 Base-Backbone interact. energy: -5.636 local terms energy: -775.645941 where: bonds (distance) C4'-P energy: -150.349 bonds (distance) P-C4' energy: -146.367 flat angles C4'-P-C4' energy: -160.794 flat angles P-C4'-P energy: -119.482 tors. eta vs tors. theta energy: -198.655 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: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2381.909774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.909774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.909774 (E_RNA) where: Base-Base interactions energy: -1610.804 where: short stacking energy: -664.215 Base-Backbone interact. energy: -2.339 local terms energy: -768.766704 where: bonds (distance) C4'-P energy: -143.214 bonds (distance) P-C4' energy: -158.606 flat angles C4'-P-C4' energy: -175.079 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -178.497 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: 4, replica: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2201.766653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.766653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.766653 (E_RNA) where: Base-Base interactions energy: -1517.032 where: short stacking energy: -620.716 Base-Backbone interact. energy: -2.235 local terms energy: -682.499826 where: bonds (distance) C4'-P energy: -131.676 bonds (distance) P-C4' energy: -134.491 flat angles C4'-P-C4' energy: -158.550 flat angles P-C4'-P energy: -107.135 tors. eta vs tors. theta energy: -150.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2158.890327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.890327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.890327 (E_RNA) where: Base-Base interactions energy: -1447.130 where: short stacking energy: -639.849 Base-Backbone interact. energy: -3.184 local terms energy: -708.577042 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -147.658 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -177.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1972.315492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.315492 (E_RNA) where: Base-Base interactions energy: -1292.429 where: short stacking energy: -554.367 Base-Backbone interact. energy: -2.556 local terms energy: -677.330758 where: bonds (distance) C4'-P energy: -135.905 bonds (distance) P-C4' energy: -148.846 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -100.781 tors. eta vs tors. theta energy: -148.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1780.276639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.276639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.276639 (E_RNA) where: Base-Base interactions energy: -1165.500 where: short stacking energy: -512.103 Base-Backbone interact. energy: -1.435 local terms energy: -613.340956 where: bonds (distance) C4'-P energy: -143.682 bonds (distance) P-C4' energy: -128.638 flat angles C4'-P-C4' energy: -134.178 flat angles P-C4'-P energy: -85.991 tors. eta vs tors. theta energy: -120.852 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: 133 Temperature: 1.250000 Total energy: -1300.679183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.679183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.679183 (E_RNA) where: Base-Base interactions energy: -791.919 where: short stacking energy: -389.502 Base-Backbone interact. energy: 3.050 local terms energy: -511.809221 where: bonds (distance) C4'-P energy: -136.616 bonds (distance) P-C4' energy: -124.524 flat angles C4'-P-C4' energy: -113.965 flat angles P-C4'-P energy: -75.409 tors. eta vs tors. theta energy: -61.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1186.770315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.770315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.770315 (E_RNA) where: Base-Base interactions energy: -706.847 where: short stacking energy: -341.638 Base-Backbone interact. energy: -2.354 local terms energy: -477.570248 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -120.681 flat angles C4'-P-C4' energy: -117.367 flat angles P-C4'-P energy: -68.478 tors. eta vs tors. theta energy: -61.090 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: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -933.467960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.467960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.467960 (E_RNA) where: Base-Base interactions energy: -529.124 where: short stacking energy: -301.622 Base-Backbone interact. energy: 1.660 local terms energy: -406.003813 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -117.777 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -23.492 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: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2649.367924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.367924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.367924 (E_RNA) where: Base-Base interactions energy: -1835.450 where: short stacking energy: -749.588 Base-Backbone interact. energy: -7.292 local terms energy: -806.626111 where: bonds (distance) C4'-P energy: -167.726 bonds (distance) P-C4' energy: -168.146 flat angles C4'-P-C4' energy: -161.924 flat angles P-C4'-P energy: -104.208 tors. eta vs tors. theta energy: -204.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2551.550772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.550772 (E_RNA) where: Base-Base interactions energy: -1806.607 where: short stacking energy: -724.647 Base-Backbone interact. energy: -1.635 local terms energy: -743.308806 where: bonds (distance) C4'-P energy: -142.789 bonds (distance) P-C4' energy: -136.631 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -105.945 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: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2426.305118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.305118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.305118 (E_RNA) where: Base-Base interactions energy: -1648.505 where: short stacking energy: -698.372 Base-Backbone interact. energy: -1.198 local terms energy: -776.602993 where: bonds (distance) C4'-P energy: -147.643 bonds (distance) P-C4' energy: -153.435 flat angles C4'-P-C4' energy: -157.121 flat angles P-C4'-P energy: -120.831 tors. eta vs tors. theta energy: -197.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2215.584196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.584196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.584196 (E_RNA) where: Base-Base interactions energy: -1509.308 where: short stacking energy: -622.239 Base-Backbone interact. energy: -2.193 local terms energy: -704.083686 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -147.467 flat angles C4'-P-C4' energy: -162.583 flat angles P-C4'-P energy: -107.371 tors. eta vs tors. theta energy: -156.381 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2127.157524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.157524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.157524 (E_RNA) where: Base-Base interactions energy: -1424.899 where: short stacking energy: -624.919 Base-Backbone interact. energy: 4.700 local terms energy: -706.958785 where: bonds (distance) C4'-P energy: -134.054 bonds (distance) P-C4' energy: -134.683 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -102.109 tors. eta vs tors. theta energy: -174.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1961.838174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.838174 (E_RNA) where: Base-Base interactions energy: -1337.758 where: short stacking energy: -558.510 Base-Backbone interact. energy: 1.017 local terms energy: -625.097639 where: bonds (distance) C4'-P energy: -123.447 bonds (distance) P-C4' energy: -128.573 flat angles C4'-P-C4' energy: -139.299 flat angles P-C4'-P energy: -90.229 tors. eta vs tors. theta energy: -143.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1678.987172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.987172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.987172 (E_RNA) where: Base-Base interactions energy: -1126.492 where: short stacking energy: -485.391 Base-Backbone interact. energy: -0.482 local terms energy: -552.012878 where: bonds (distance) C4'-P energy: -134.419 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -144.041 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: -104.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1313.598937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.598937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.598937 (E_RNA) where: Base-Base interactions energy: -814.234 where: short stacking energy: -399.213 Base-Backbone interact. energy: -2.130 local terms energy: -497.234660 where: bonds (distance) C4'-P energy: -126.016 bonds (distance) P-C4' energy: -124.360 flat angles C4'-P-C4' energy: -123.183 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -60.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1236.602211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.602211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.602211 (E_RNA) where: Base-Base interactions energy: -746.929 where: short stacking energy: -333.647 Base-Backbone interact. energy: 5.418 local terms energy: -495.091834 where: bonds (distance) C4'-P energy: -118.614 bonds (distance) P-C4' energy: -126.174 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -94.200 tors. eta vs tors. theta energy: -50.614 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -892.645043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.645043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.645043 (E_RNA) where: Base-Base interactions energy: -483.022 where: short stacking energy: -285.322 Base-Backbone interact. energy: 1.748 local terms energy: -411.371294 where: bonds (distance) C4'-P energy: -112.450 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -109.292 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -11.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2645.217792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.217792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.217792 (E_RNA) where: Base-Base interactions energy: -1831.711 where: short stacking energy: -756.015 Base-Backbone interact. energy: -1.552 local terms energy: -811.954816 where: bonds (distance) C4'-P energy: -147.878 bonds (distance) P-C4' energy: -168.831 flat angles C4'-P-C4' energy: -178.926 flat angles P-C4'-P energy: -110.356 tors. eta vs tors. theta energy: -205.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2554.670139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.670139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.670139 (E_RNA) where: Base-Base interactions energy: -1763.881 where: short stacking energy: -735.705 Base-Backbone interact. energy: -6.402 local terms energy: -784.387003 where: bonds (distance) C4'-P energy: -136.552 bonds (distance) P-C4' energy: -155.008 flat angles C4'-P-C4' energy: -169.247 flat angles P-C4'-P energy: -114.150 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: 135 Temperature: 1.000000 Total energy: -2422.732390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.732390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.732390 (E_RNA) where: Base-Base interactions energy: -1634.252 where: short stacking energy: -706.394 Base-Backbone interact. energy: -3.911 local terms energy: -784.569046 where: bonds (distance) C4'-P energy: -151.481 bonds (distance) P-C4' energy: -156.773 flat angles C4'-P-C4' energy: -179.863 flat angles P-C4'-P energy: -112.755 tors. eta vs tors. theta energy: -183.697 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: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2245.589559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.589559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.589559 (E_RNA) where: Base-Base interactions energy: -1552.241 where: short stacking energy: -650.450 Base-Backbone interact. energy: -5.458 local terms energy: -687.890157 where: bonds (distance) C4'-P energy: -131.871 bonds (distance) P-C4' energy: -145.298 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -97.671 tors. eta vs tors. theta energy: -155.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2115.367445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.367445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.367445 (E_RNA) where: Base-Base interactions energy: -1437.542 where: short stacking energy: -640.646 Base-Backbone interact. energy: 3.325 local terms energy: -681.150099 where: bonds (distance) C4'-P energy: -113.603 bonds (distance) P-C4' energy: -145.420 flat angles C4'-P-C4' energy: -156.476 flat angles P-C4'-P energy: -88.905 tors. eta vs tors. theta energy: -176.745 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: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1970.436058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.436058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.436058 (E_RNA) where: Base-Base interactions energy: -1283.206 where: short stacking energy: -577.347 Base-Backbone interact. energy: -1.031 local terms energy: -686.198769 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -149.851 flat angles P-C4'-P energy: -96.809 tors. eta vs tors. theta energy: -165.923 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: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1718.136941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.136941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.136941 (E_RNA) where: Base-Base interactions energy: -1114.597 where: short stacking energy: -479.422 Base-Backbone interact. energy: -0.990 local terms energy: -602.549820 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -131.457 flat angles C4'-P-C4' energy: -141.786 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: -101.407 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: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1316.811861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.811861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.811861 (E_RNA) where: Base-Base interactions energy: -776.854 where: short stacking energy: -356.002 Base-Backbone interact. energy: 1.423 local terms energy: -541.380185 where: bonds (distance) C4'-P energy: -120.073 bonds (distance) P-C4' energy: -146.731 flat angles C4'-P-C4' energy: -133.671 flat angles P-C4'-P energy: -95.467 tors. eta vs tors. theta energy: -45.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1218.765847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.765847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.765847 (E_RNA) where: Base-Base interactions energy: -704.849 where: short stacking energy: -340.567 Base-Backbone interact. energy: -5.900 local terms energy: -508.016175 where: bonds (distance) C4'-P energy: -138.014 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -111.317 flat angles P-C4'-P energy: -76.487 tors. eta vs tors. theta energy: -56.001 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: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -891.011807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.011807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.011807 (E_RNA) where: Base-Base interactions energy: -456.086 where: short stacking energy: -231.985 Base-Backbone interact. energy: -2.942 local terms energy: -431.983674 where: bonds (distance) C4'-P energy: -127.191 bonds (distance) P-C4' energy: -125.476 flat angles C4'-P-C4' energy: -114.225 flat angles P-C4'-P energy: -62.851 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2628.770647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.770647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.770647 (E_RNA) where: Base-Base interactions energy: -1844.003 where: short stacking energy: -751.022 Base-Backbone interact. energy: -4.614 local terms energy: -780.153093 where: bonds (distance) C4'-P energy: -145.443 bonds (distance) P-C4' energy: -142.755 flat angles C4'-P-C4' energy: -174.352 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -198.945 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: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2562.884565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.884565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.884565 (E_RNA) where: Base-Base interactions energy: -1777.774 where: short stacking energy: -707.515 Base-Backbone interact. energy: 0.249 local terms energy: -785.359709 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -163.311 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -119.211 tors. eta vs tors. theta energy: -197.175 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2392.745757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.745757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.745757 (E_RNA) where: Base-Base interactions energy: -1630.613 where: short stacking energy: -662.437 Base-Backbone interact. energy: -5.233 local terms energy: -756.900225 where: bonds (distance) C4'-P energy: -145.428 bonds (distance) P-C4' energy: -144.954 flat angles C4'-P-C4' energy: -165.477 flat angles P-C4'-P energy: -117.005 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: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2225.868330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.868330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.868330 (E_RNA) where: Base-Base interactions energy: -1503.320 where: short stacking energy: -627.661 Base-Backbone interact. energy: -7.025 local terms energy: -715.522770 where: bonds (distance) C4'-P energy: -150.069 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -147.322 flat angles P-C4'-P energy: -103.454 tors. eta vs tors. theta energy: -164.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2126.611587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.611587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.611587 (E_RNA) where: Base-Base interactions energy: -1421.168 where: short stacking energy: -621.237 Base-Backbone interact. energy: -2.327 local terms energy: -703.116362 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -150.222 flat angles C4'-P-C4' energy: -153.127 flat angles P-C4'-P energy: -98.804 tors. eta vs tors. theta energy: -178.642 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: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1974.041275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.041275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.041275 (E_RNA) where: Base-Base interactions energy: -1340.724 where: short stacking energy: -583.909 Base-Backbone interact. energy: -0.581 local terms energy: -632.736415 where: bonds (distance) C4'-P energy: -114.333 bonds (distance) P-C4' energy: -129.074 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -99.760 tors. eta vs tors. theta energy: -154.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1738.175730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.175730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.175730 (E_RNA) where: Base-Base interactions energy: -1123.186 where: short stacking energy: -496.418 Base-Backbone interact. energy: -3.605 local terms energy: -611.384373 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -149.408 flat angles P-C4'-P energy: -83.754 tors. eta vs tors. theta energy: -125.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1333.661621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.661621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.661621 (E_RNA) where: Base-Base interactions energy: -822.259 where: short stacking energy: -420.378 Base-Backbone interact. energy: 5.775 local terms energy: -517.177903 where: bonds (distance) C4'-P energy: -119.364 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -69.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1184.988623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.988623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.988623 (E_RNA) where: Base-Base interactions energy: -708.548 where: short stacking energy: -329.207 Base-Backbone interact. energy: -3.099 local terms energy: -473.342076 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -121.093 flat angles P-C4'-P energy: -77.717 tors. eta vs tors. theta energy: -39.840 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: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -861.344580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.344580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.344580 (E_RNA) where: Base-Base interactions energy: -445.218 where: short stacking energy: -239.406 Base-Backbone interact. energy: -0.562 local terms energy: -415.564449 where: bonds (distance) C4'-P energy: -108.707 bonds (distance) P-C4' energy: -120.313 flat angles C4'-P-C4' energy: -124.586 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -6.262 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: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2632.525775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.525775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.525775 (E_RNA) where: Base-Base interactions energy: -1830.644 where: short stacking energy: -762.731 Base-Backbone interact. energy: -1.916 local terms energy: -799.965716 where: bonds (distance) C4'-P energy: -150.535 bonds (distance) P-C4' energy: -161.902 flat angles C4'-P-C4' energy: -173.852 flat angles P-C4'-P energy: -104.308 tors. eta vs tors. theta energy: -209.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2524.417918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.417918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.417918 (E_RNA) where: Base-Base interactions energy: -1771.059 where: short stacking energy: -718.359 Base-Backbone interact. energy: 0.200 local terms energy: -753.558648 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -151.197 flat angles C4'-P-C4' energy: -159.251 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -192.739 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: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2389.056460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.056460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.056460 (E_RNA) where: Base-Base interactions energy: -1664.788 where: short stacking energy: -694.126 Base-Backbone interact. energy: -2.063 local terms energy: -722.205667 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -141.213 flat angles C4'-P-C4' energy: -167.691 flat angles P-C4'-P energy: -91.795 tors. eta vs tors. theta energy: -165.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2223.944500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.944500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.944500 (E_RNA) where: Base-Base interactions energy: -1531.133 where: short stacking energy: -630.319 Base-Backbone interact. energy: -4.293 local terms energy: -688.518643 where: bonds (distance) C4'-P energy: -127.458 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -160.067 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -169.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2199.870403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.870403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.870403 (E_RNA) where: Base-Base interactions energy: -1490.259 where: short stacking energy: -640.106 Base-Backbone interact. energy: -1.499 local terms energy: -708.112330 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -151.327 flat angles C4'-P-C4' energy: -156.570 flat angles P-C4'-P energy: -101.329 tors. eta vs tors. theta energy: -178.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1976.939956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.939956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.939956 (E_RNA) where: Base-Base interactions energy: -1349.346 where: short stacking energy: -585.328 Base-Backbone interact. energy: 2.249 local terms energy: -629.842667 where: bonds (distance) C4'-P energy: -137.563 bonds (distance) P-C4' energy: -141.040 flat angles C4'-P-C4' energy: -133.420 flat angles P-C4'-P energy: -83.728 tors. eta vs tors. theta energy: -134.091 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1724.014060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.014060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.014060 (E_RNA) where: Base-Base interactions energy: -1141.915 where: short stacking energy: -506.310 Base-Backbone interact. energy: -3.552 local terms energy: -578.547139 where: bonds (distance) C4'-P energy: -113.707 bonds (distance) P-C4' energy: -127.327 flat angles C4'-P-C4' energy: -132.021 flat angles P-C4'-P energy: -88.832 tors. eta vs tors. theta energy: -116.660 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: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1249.599079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.599079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.599079 (E_RNA) where: Base-Base interactions energy: -728.321 where: short stacking energy: -380.825 Base-Backbone interact. energy: 4.621 local terms energy: -525.899078 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -130.175 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -78.528 tors. eta vs tors. theta energy: -64.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1156.607160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.607160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.607160 (E_RNA) where: Base-Base interactions energy: -676.499 where: short stacking energy: -332.015 Base-Backbone interact. energy: -0.174 local terms energy: -479.934468 where: bonds (distance) C4'-P energy: -132.077 bonds (distance) P-C4' energy: -117.154 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -78.936 tors. eta vs tors. theta energy: -44.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -917.787852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.787852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.787852 (E_RNA) where: Base-Base interactions energy: -494.194 where: short stacking energy: -273.362 Base-Backbone interact. energy: 2.113 local terms energy: -425.706621 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -128.387 flat angles P-C4'-P energy: -56.855 tors. eta vs tors. theta energy: -17.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2630.098669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.098669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.098669 (E_RNA) where: Base-Base interactions energy: -1826.624 where: short stacking energy: -744.347 Base-Backbone interact. energy: -7.597 local terms energy: -795.877612 where: bonds (distance) C4'-P energy: -158.415 bonds (distance) P-C4' energy: -150.117 flat angles C4'-P-C4' energy: -169.394 flat angles P-C4'-P energy: -114.724 tors. eta vs tors. theta energy: -203.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2518.456735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.456735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.456735 (E_RNA) where: Base-Base interactions energy: -1747.733 where: short stacking energy: -710.424 Base-Backbone interact. energy: -5.182 local terms energy: -765.541678 where: bonds (distance) C4'-P energy: -149.054 bonds (distance) P-C4' energy: -150.348 flat angles C4'-P-C4' energy: -154.077 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -210.463 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: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2445.014981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.014981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.014981 (E_RNA) where: Base-Base interactions energy: -1738.494 where: short stacking energy: -739.665 Base-Backbone interact. energy: -0.086 local terms energy: -706.435329 where: bonds (distance) C4'-P energy: -126.800 bonds (distance) P-C4' energy: -129.501 flat angles C4'-P-C4' energy: -162.782 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -192.655 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: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2284.218657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.218657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.218657 (E_RNA) where: Base-Base interactions energy: -1561.087 where: short stacking energy: -646.844 Base-Backbone interact. energy: 3.784 local terms energy: -726.916076 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -165.565 flat angles P-C4'-P energy: -110.240 tors. eta vs tors. theta energy: -176.527 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: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2202.891187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.891187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.891187 (E_RNA) where: Base-Base interactions energy: -1471.607 where: short stacking energy: -664.479 Base-Backbone interact. energy: 1.242 local terms energy: -732.526133 where: bonds (distance) C4'-P energy: -146.451 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -109.300 tors. eta vs tors. theta energy: -185.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1966.501451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.501451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.501451 (E_RNA) where: Base-Base interactions energy: -1333.125 where: short stacking energy: -582.217 Base-Backbone interact. energy: -3.970 local terms energy: -629.405995 where: bonds (distance) C4'-P energy: -121.650 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -159.950 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -133.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1755.850245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.850245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.850245 (E_RNA) where: Base-Base interactions energy: -1160.387 where: short stacking energy: -527.534 Base-Backbone interact. energy: 1.544 local terms energy: -597.007248 where: bonds (distance) C4'-P energy: -119.594 bonds (distance) P-C4' energy: -130.189 flat angles C4'-P-C4' energy: -129.141 flat angles P-C4'-P energy: -96.753 tors. eta vs tors. theta energy: -121.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1261.531588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.531588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.531588 (E_RNA) where: Base-Base interactions energy: -748.077 where: short stacking energy: -371.189 Base-Backbone interact. energy: -2.622 local terms energy: -510.833220 where: bonds (distance) C4'-P energy: -128.495 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -68.936 tors. eta vs tors. theta energy: -59.201 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: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1222.862729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.862729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.862729 (E_RNA) where: Base-Base interactions energy: -765.698 where: short stacking energy: -362.369 Base-Backbone interact. energy: -2.586 local terms energy: -454.579168 where: bonds (distance) C4'-P energy: -107.269 bonds (distance) P-C4' energy: -139.977 flat angles C4'-P-C4' energy: -116.937 flat angles P-C4'-P energy: -59.210 tors. eta vs tors. theta energy: -31.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -914.956438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.956438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.956438 (E_RNA) where: Base-Base interactions energy: -466.817 where: short stacking energy: -256.650 Base-Backbone interact. energy: 2.301 local terms energy: -450.440424 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -111.016 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -22.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2630.183445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.183445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.183445 (E_RNA) where: Base-Base interactions energy: -1823.717 where: short stacking energy: -741.603 Base-Backbone interact. energy: -5.430 local terms energy: -801.036763 where: bonds (distance) C4'-P energy: -152.522 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -176.072 flat angles P-C4'-P energy: -114.027 tors. eta vs tors. theta energy: -206.624 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: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2550.391171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.391171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.391171 (E_RNA) where: Base-Base interactions energy: -1795.537 where: short stacking energy: -733.322 Base-Backbone interact. energy: -6.572 local terms energy: -748.282102 where: bonds (distance) C4'-P energy: -137.901 bonds (distance) P-C4' energy: -137.030 flat angles C4'-P-C4' energy: -167.266 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -203.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2410.928610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.928610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.928610 (E_RNA) where: Base-Base interactions energy: -1669.389 where: short stacking energy: -683.476 Base-Backbone interact. energy: -3.072 local terms energy: -738.467149 where: bonds (distance) C4'-P energy: -131.978 bonds (distance) P-C4' energy: -140.515 flat angles C4'-P-C4' energy: -170.821 flat angles P-C4'-P energy: -99.014 tors. eta vs tors. theta energy: -196.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2279.855393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.855393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.855393 (E_RNA) where: Base-Base interactions energy: -1575.374 where: short stacking energy: -668.158 Base-Backbone interact. energy: -5.449 local terms energy: -699.033071 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -138.843 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -103.021 tors. eta vs tors. theta energy: -180.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2142.472147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.472147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.472147 (E_RNA) where: Base-Base interactions energy: -1463.183 where: short stacking energy: -618.965 Base-Backbone interact. energy: -0.592 local terms energy: -678.697856 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -155.720 flat angles P-C4'-P energy: -95.139 tors. eta vs tors. theta energy: -167.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1940.131519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.131519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.131519 (E_RNA) where: Base-Base interactions energy: -1301.267 where: short stacking energy: -561.627 Base-Backbone interact. energy: -0.584 local terms energy: -638.280089 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -132.835 flat angles C4'-P-C4' energy: -145.300 flat angles P-C4'-P energy: -82.667 tors. eta vs tors. theta energy: -135.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1781.316636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.316636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.316636 (E_RNA) where: Base-Base interactions energy: -1152.385 where: short stacking energy: -510.365 Base-Backbone interact. energy: 3.984 local terms energy: -632.915060 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -147.694 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -87.515 tors. eta vs tors. theta energy: -118.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1290.036963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.036963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.036963 (E_RNA) where: Base-Base interactions energy: -771.505 where: short stacking energy: -360.666 Base-Backbone interact. energy: -0.349 local terms energy: -518.183331 where: bonds (distance) C4'-P energy: -128.006 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -138.176 flat angles P-C4'-P energy: -77.077 tors. eta vs tors. theta energy: -50.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1237.604609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.604609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.604609 (E_RNA) where: Base-Base interactions energy: -766.865 where: short stacking energy: -360.021 Base-Backbone interact. energy: -1.418 local terms energy: -469.321578 where: bonds (distance) C4'-P energy: -93.898 bonds (distance) P-C4' energy: -132.835 flat angles C4'-P-C4' energy: -119.748 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -42.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -955.683191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.683191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.683191 (E_RNA) where: Base-Base interactions energy: -561.408 where: short stacking energy: -281.239 Base-Backbone interact. energy: -4.153 local terms energy: -390.122938 where: bonds (distance) C4'-P energy: -111.082 bonds (distance) P-C4' energy: -117.530 flat angles C4'-P-C4' energy: -99.094 flat angles P-C4'-P energy: -36.969 tors. eta vs tors. theta energy: -25.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2625.002217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.002217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.002217 (E_RNA) where: Base-Base interactions energy: -1847.742 where: short stacking energy: -754.575 Base-Backbone interact. energy: -4.242 local terms energy: -773.018891 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -149.524 flat angles C4'-P-C4' energy: -167.901 flat angles P-C4'-P energy: -109.498 tors. eta vs tors. theta energy: -199.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2540.968836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.968836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.968836 (E_RNA) where: Base-Base interactions energy: -1743.488 where: short stacking energy: -722.896 Base-Backbone interact. energy: -8.106 local terms energy: -789.374774 where: bonds (distance) C4'-P energy: -128.478 bonds (distance) P-C4' energy: -165.972 flat angles C4'-P-C4' energy: -183.652 flat angles P-C4'-P energy: -113.244 tors. eta vs tors. theta energy: -198.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2377.571839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.571839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.571839 (E_RNA) where: Base-Base interactions energy: -1627.490 where: short stacking energy: -675.450 Base-Backbone interact. energy: -6.071 local terms energy: -744.010072 where: bonds (distance) C4'-P energy: -134.330 bonds (distance) P-C4' energy: -147.128 flat angles C4'-P-C4' energy: -157.199 flat angles P-C4'-P energy: -107.211 tors. eta vs tors. theta energy: -198.143 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: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2295.747336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.747336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.747336 (E_RNA) where: Base-Base interactions energy: -1585.833 where: short stacking energy: -653.139 Base-Backbone interact. energy: -3.576 local terms energy: -706.338543 where: bonds (distance) C4'-P energy: -129.632 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -154.093 flat angles P-C4'-P energy: -110.506 tors. eta vs tors. theta energy: -171.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2117.286204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.286204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.286204 (E_RNA) where: Base-Base interactions energy: -1415.254 where: short stacking energy: -612.470 Base-Backbone interact. energy: -2.077 local terms energy: -699.955573 where: bonds (distance) C4'-P energy: -143.923 bonds (distance) P-C4' energy: -133.664 flat angles C4'-P-C4' energy: -154.011 flat angles P-C4'-P energy: -97.284 tors. eta vs tors. theta energy: -171.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1943.167689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.167689 (E_RNA) where: Base-Base interactions energy: -1344.613 where: short stacking energy: -579.201 Base-Backbone interact. energy: -0.622 local terms energy: -597.932400 where: bonds (distance) C4'-P energy: -117.823 bonds (distance) P-C4' energy: -124.111 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -126.998 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: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1716.095544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.095544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.095544 (E_RNA) where: Base-Base interactions energy: -1115.251 where: short stacking energy: -499.482 Base-Backbone interact. energy: 1.770 local terms energy: -602.614644 where: bonds (distance) C4'-P energy: -124.005 bonds (distance) P-C4' energy: -147.054 flat angles C4'-P-C4' energy: -127.414 flat angles P-C4'-P energy: -95.910 tors. eta vs tors. theta energy: -108.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1327.417030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.417030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.417030 (E_RNA) where: Base-Base interactions energy: -819.404 where: short stacking energy: -375.348 Base-Backbone interact. energy: 0.683 local terms energy: -508.696151 where: bonds (distance) C4'-P energy: -123.936 bonds (distance) P-C4' energy: -126.169 flat angles C4'-P-C4' energy: -123.932 flat angles P-C4'-P energy: -79.033 tors. eta vs tors. theta energy: -55.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1214.245603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.245603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.245603 (E_RNA) where: Base-Base interactions energy: -720.590 where: short stacking energy: -322.469 Base-Backbone interact. energy: -2.837 local terms energy: -490.818782 where: bonds (distance) C4'-P energy: -111.043 bonds (distance) P-C4' energy: -126.897 flat angles C4'-P-C4' energy: -131.904 flat angles P-C4'-P energy: -86.739 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: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1019.752709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.752709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.752709 (E_RNA) where: Base-Base interactions energy: -547.560 where: short stacking energy: -266.791 Base-Backbone interact. energy: -1.956 local terms energy: -470.236419 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -120.835 flat angles C4'-P-C4' energy: -105.497 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -42.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2659.113641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.113641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.113641 (E_RNA) where: Base-Base interactions energy: -1840.246 where: short stacking energy: -763.957 Base-Backbone interact. energy: -5.197 local terms energy: -813.669996 where: bonds (distance) C4'-P energy: -162.012 bonds (distance) P-C4' energy: -151.547 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -108.663 tors. eta vs tors. theta energy: -218.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2558.113549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.113549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.113549 (E_RNA) where: Base-Base interactions energy: -1764.625 where: short stacking energy: -747.891 Base-Backbone interact. energy: -5.792 local terms energy: -787.696711 where: bonds (distance) C4'-P energy: -149.871 bonds (distance) P-C4' energy: -147.583 flat angles C4'-P-C4' energy: -176.393 flat angles P-C4'-P energy: -112.299 tors. eta vs tors. theta energy: -201.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2407.675736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.675736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.675736 (E_RNA) where: Base-Base interactions energy: -1665.365 where: short stacking energy: -721.438 Base-Backbone interact. energy: 0.330 local terms energy: -742.640737 where: bonds (distance) C4'-P energy: -140.190 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -106.278 tors. eta vs tors. theta energy: -192.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2307.844449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.844449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.844449 (E_RNA) where: Base-Base interactions energy: -1593.733 where: short stacking energy: -636.213 Base-Backbone interact. energy: -2.474 local terms energy: -711.637199 where: bonds (distance) C4'-P energy: -145.460 bonds (distance) P-C4' energy: -135.167 flat angles C4'-P-C4' energy: -156.373 flat angles P-C4'-P energy: -102.743 tors. eta vs tors. theta energy: -171.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2146.193606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.193606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.193606 (E_RNA) where: Base-Base interactions energy: -1471.363 where: short stacking energy: -657.145 Base-Backbone interact. energy: -3.158 local terms energy: -671.672053 where: bonds (distance) C4'-P energy: -128.984 bonds (distance) P-C4' energy: -120.846 flat angles C4'-P-C4' energy: -162.392 flat angles P-C4'-P energy: -95.093 tors. eta vs tors. theta energy: -164.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1897.893420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.893420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.893420 (E_RNA) where: Base-Base interactions energy: -1262.445 where: short stacking energy: -555.283 Base-Backbone interact. energy: -1.720 local terms energy: -633.728261 where: bonds (distance) C4'-P energy: -142.079 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -143.855 flat angles P-C4'-P energy: -85.454 tors. eta vs tors. theta energy: -123.124 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: 141 Temperature: 1.200000 Total energy: -1725.266365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.266365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.266365 (E_RNA) where: Base-Base interactions energy: -1145.172 where: short stacking energy: -515.873 Base-Backbone interact. energy: -0.957 local terms energy: -579.137641 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -130.973 flat angles C4'-P-C4' energy: -136.138 flat angles P-C4'-P energy: -70.083 tors. eta vs tors. theta energy: -113.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1405.158984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.158984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.158984 (E_RNA) where: Base-Base interactions energy: -907.622 where: short stacking energy: -413.970 Base-Backbone interact. energy: 3.302 local terms energy: -500.838615 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -115.925 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -72.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1150.650190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.650190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.650190 (E_RNA) where: Base-Base interactions energy: -714.452 where: short stacking energy: -352.179 Base-Backbone interact. energy: -0.330 local terms energy: -435.868142 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -105.653 flat angles P-C4'-P energy: -56.522 tors. eta vs tors. theta energy: -45.996 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: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -913.221568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.221568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.221568 (E_RNA) where: Base-Base interactions energy: -510.943 where: short stacking energy: -256.820 Base-Backbone interact. energy: 2.317 local terms energy: -404.594988 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -115.072 flat angles C4'-P-C4' energy: -106.291 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -21.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2622.448387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.448387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.448387 (E_RNA) where: Base-Base interactions energy: -1839.807 where: short stacking energy: -764.329 Base-Backbone interact. energy: -1.284 local terms energy: -781.357313 where: bonds (distance) C4'-P energy: -147.502 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -180.315 flat angles P-C4'-P energy: -105.244 tors. eta vs tors. theta energy: -209.421 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: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2592.826746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.826746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.826746 (E_RNA) where: Base-Base interactions energy: -1797.767 where: short stacking energy: -738.892 Base-Backbone interact. energy: -7.410 local terms energy: -787.650079 where: bonds (distance) C4'-P energy: -142.471 bonds (distance) P-C4' energy: -149.380 flat angles C4'-P-C4' energy: -168.754 flat angles P-C4'-P energy: -109.894 tors. eta vs tors. theta energy: -217.152 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: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2418.222075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.222075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.222075 (E_RNA) where: Base-Base interactions energy: -1653.520 where: short stacking energy: -702.368 Base-Backbone interact. energy: -4.245 local terms energy: -760.457048 where: bonds (distance) C4'-P energy: -142.777 bonds (distance) P-C4' energy: -138.551 flat angles C4'-P-C4' energy: -165.333 flat angles P-C4'-P energy: -116.124 tors. eta vs tors. theta energy: -197.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2289.680149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.680149 (E_RNA) where: Base-Base interactions energy: -1583.298 where: short stacking energy: -649.406 Base-Backbone interact. energy: -2.657 local terms energy: -703.725487 where: bonds (distance) C4'-P energy: -136.447 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -142.942 flat angles P-C4'-P energy: -107.590 tors. eta vs tors. theta energy: -170.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2127.345879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.345879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.345879 (E_RNA) where: Base-Base interactions energy: -1419.066 where: short stacking energy: -627.227 Base-Backbone interact. energy: -2.783 local terms energy: -705.497255 where: bonds (distance) C4'-P energy: -134.255 bonds (distance) P-C4' energy: -162.539 flat angles C4'-P-C4' energy: -137.861 flat angles P-C4'-P energy: -108.382 tors. eta vs tors. theta energy: -162.460 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: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1956.994003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.994003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.994003 (E_RNA) where: Base-Base interactions energy: -1318.274 where: short stacking energy: -551.606 Base-Backbone interact. energy: -2.102 local terms energy: -636.618100 where: bonds (distance) C4'-P energy: -140.859 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -148.577 flat angles P-C4'-P energy: -78.224 tors. eta vs tors. theta energy: -131.402 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: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1722.389905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.389905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.389905 (E_RNA) where: Base-Base interactions energy: -1114.974 where: short stacking energy: -497.762 Base-Backbone interact. energy: 1.041 local terms energy: -608.457077 where: bonds (distance) C4'-P energy: -134.028 bonds (distance) P-C4' energy: -138.804 flat angles C4'-P-C4' energy: -131.641 flat angles P-C4'-P energy: -90.783 tors. eta vs tors. theta energy: -113.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1397.153328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.153328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.153328 (E_RNA) where: Base-Base interactions energy: -840.287 where: short stacking energy: -398.227 Base-Backbone interact. energy: -1.287 local terms energy: -555.579115 where: bonds (distance) C4'-P energy: -118.182 bonds (distance) P-C4' energy: -143.098 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -83.973 tors. eta vs tors. theta energy: -76.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1172.355230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.355230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.355230 (E_RNA) where: Base-Base interactions energy: -681.267 where: short stacking energy: -319.352 Base-Backbone interact. energy: -4.019 local terms energy: -487.069388 where: bonds (distance) C4'-P energy: -128.738 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -130.964 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -36.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -921.496124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.496124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.496124 (E_RNA) where: Base-Base interactions energy: -495.031 where: short stacking energy: -244.204 Base-Backbone interact. energy: 0.684 local terms energy: -427.148511 where: bonds (distance) C4'-P energy: -126.643 bonds (distance) P-C4' energy: -109.983 flat angles C4'-P-C4' energy: -117.456 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2618.847866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.847866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.847866 (E_RNA) where: Base-Base interactions energy: -1809.086 where: short stacking energy: -747.844 Base-Backbone interact. energy: -4.915 local terms energy: -804.846181 where: bonds (distance) C4'-P energy: -156.976 bonds (distance) P-C4' energy: -157.379 flat angles C4'-P-C4' energy: -183.857 flat angles P-C4'-P energy: -103.381 tors. eta vs tors. theta energy: -203.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2581.986414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.986414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.986414 (E_RNA) where: Base-Base interactions energy: -1777.777 where: short stacking energy: -775.937 Base-Backbone interact. energy: -4.616 local terms energy: -799.593797 where: bonds (distance) C4'-P energy: -149.936 bonds (distance) P-C4' energy: -144.719 flat angles C4'-P-C4' energy: -175.934 flat angles P-C4'-P energy: -110.879 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: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2398.180504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.180504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.180504 (E_RNA) where: Base-Base interactions energy: -1664.965 where: short stacking energy: -722.570 Base-Backbone interact. energy: 4.162 local terms energy: -737.377283 where: bonds (distance) C4'-P energy: -129.377 bonds (distance) P-C4' energy: -146.959 flat angles C4'-P-C4' energy: -167.628 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -194.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2275.142278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.142278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.142278 (E_RNA) where: Base-Base interactions energy: -1549.678 where: short stacking energy: -661.386 Base-Backbone interact. energy: 0.609 local terms energy: -726.073501 where: bonds (distance) C4'-P energy: -138.435 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -161.680 flat angles P-C4'-P energy: -92.249 tors. eta vs tors. theta energy: -192.679 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2178.770049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.770049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.770049 (E_RNA) where: Base-Base interactions energy: -1461.303 where: short stacking energy: -638.140 Base-Backbone interact. energy: -2.346 local terms energy: -715.120820 where: bonds (distance) C4'-P energy: -145.888 bonds (distance) P-C4' energy: -122.311 flat angles C4'-P-C4' energy: -160.560 flat angles P-C4'-P energy: -111.222 tors. eta vs tors. theta energy: -175.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1958.853181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.853181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.853181 (E_RNA) where: Base-Base interactions energy: -1287.661 where: short stacking energy: -574.937 Base-Backbone interact. energy: -5.219 local terms energy: -665.973098 where: bonds (distance) C4'-P energy: -127.423 bonds (distance) P-C4' energy: -128.466 flat angles C4'-P-C4' energy: -146.647 flat angles P-C4'-P energy: -111.348 tors. eta vs tors. theta energy: -152.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1693.097737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.097737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.097737 (E_RNA) where: Base-Base interactions energy: -1090.494 where: short stacking energy: -512.698 Base-Backbone interact. energy: -4.760 local terms energy: -597.843722 where: bonds (distance) C4'-P energy: -121.130 bonds (distance) P-C4' energy: -123.258 flat angles C4'-P-C4' energy: -147.031 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -119.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1352.936442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.936442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.936442 (E_RNA) where: Base-Base interactions energy: -824.152 where: short stacking energy: -390.434 Base-Backbone interact. energy: -2.083 local terms energy: -526.701633 where: bonds (distance) C4'-P energy: -120.323 bonds (distance) P-C4' energy: -129.334 flat angles C4'-P-C4' energy: -120.323 flat angles P-C4'-P energy: -89.104 tors. eta vs tors. theta energy: -67.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1144.812545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.812545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.812545 (E_RNA) where: Base-Base interactions energy: -665.140 where: short stacking energy: -342.916 Base-Backbone interact. energy: 0.287 local terms energy: -479.959595 where: bonds (distance) C4'-P energy: -122.098 bonds (distance) P-C4' energy: -138.013 flat angles C4'-P-C4' energy: -100.992 flat angles P-C4'-P energy: -75.376 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: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -940.088199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.088199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.088199 (E_RNA) where: Base-Base interactions energy: -490.367 where: short stacking energy: -242.747 Base-Backbone interact. energy: -0.940 local terms energy: -448.781298 where: bonds (distance) C4'-P energy: -127.544 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -97.733 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -15.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2648.472678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.472678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.472678 (E_RNA) where: Base-Base interactions energy: -1824.363 where: short stacking energy: -771.186 Base-Backbone interact. energy: -7.603 local terms energy: -816.506347 where: bonds (distance) C4'-P energy: -151.711 bonds (distance) P-C4' energy: -160.588 flat angles C4'-P-C4' energy: -183.881 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -212.797 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: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2572.091488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.091488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.091488 (E_RNA) where: Base-Base interactions energy: -1805.730 where: short stacking energy: -754.560 Base-Backbone interact. energy: -4.939 local terms energy: -761.422208 where: bonds (distance) C4'-P energy: -150.788 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -169.131 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -202.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2386.309560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.309560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.309560 (E_RNA) where: Base-Base interactions energy: -1642.916 where: short stacking energy: -701.694 Base-Backbone interact. energy: -2.935 local terms energy: -740.458625 where: bonds (distance) C4'-P energy: -112.213 bonds (distance) P-C4' energy: -144.412 flat angles C4'-P-C4' energy: -172.986 flat angles P-C4'-P energy: -100.557 tors. eta vs tors. theta energy: -210.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2257.428604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.428604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.428604 (E_RNA) where: Base-Base interactions energy: -1524.899 where: short stacking energy: -648.681 Base-Backbone interact. energy: -2.175 local terms energy: -730.353850 where: bonds (distance) C4'-P energy: -135.245 bonds (distance) P-C4' energy: -141.630 flat angles C4'-P-C4' energy: -164.501 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -172.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2166.001088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.001088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.001088 (E_RNA) where: Base-Base interactions energy: -1483.767 where: short stacking energy: -646.103 Base-Backbone interact. energy: -4.985 local terms energy: -677.248577 where: bonds (distance) C4'-P energy: -130.033 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -143.998 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -163.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1952.725610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.725610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.725610 (E_RNA) where: Base-Base interactions energy: -1314.360 where: short stacking energy: -598.058 Base-Backbone interact. energy: 2.978 local terms energy: -641.343473 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -95.662 tors. eta vs tors. theta energy: -145.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1718.633342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.633342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.633342 (E_RNA) where: Base-Base interactions energy: -1143.739 where: short stacking energy: -522.543 Base-Backbone interact. energy: -0.509 local terms energy: -574.385896 where: bonds (distance) C4'-P energy: -128.622 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -123.510 flat angles P-C4'-P energy: -67.546 tors. eta vs tors. theta energy: -116.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1389.840092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.840092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.840092 (E_RNA) where: Base-Base interactions energy: -835.953 where: short stacking energy: -393.276 Base-Backbone interact. energy: -1.599 local terms energy: -552.288331 where: bonds (distance) C4'-P energy: -127.950 bonds (distance) P-C4' energy: -137.113 flat angles C4'-P-C4' energy: -133.151 flat angles P-C4'-P energy: -89.200 tors. eta vs tors. theta energy: -64.875 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1138.116780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.116780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.116780 (E_RNA) where: Base-Base interactions energy: -650.578 where: short stacking energy: -326.597 Base-Backbone interact. energy: 6.450 local terms energy: -493.989156 where: bonds (distance) C4'-P energy: -127.056 bonds (distance) P-C4' energy: -122.829 flat angles C4'-P-C4' energy: -118.764 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -54.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -856.035803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.035803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.035803 (E_RNA) where: Base-Base interactions energy: -448.767 where: short stacking energy: -254.507 Base-Backbone interact. energy: 3.857 local terms energy: -411.125697 where: bonds (distance) C4'-P energy: -110.371 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -102.205 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: 4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2669.931995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.931995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.931995 (E_RNA) where: Base-Base interactions energy: -1812.188 where: short stacking energy: -754.626 Base-Backbone interact. energy: -2.402 local terms energy: -855.341749 where: bonds (distance) C4'-P energy: -155.003 bonds (distance) P-C4' energy: -170.967 flat angles C4'-P-C4' energy: -178.025 flat angles P-C4'-P energy: -117.445 tors. eta vs tors. theta energy: -233.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2607.616709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.616709 (E_RNA) where: Base-Base interactions energy: -1827.303 where: short stacking energy: -770.266 Base-Backbone interact. energy: -5.397 local terms energy: -774.916301 where: bonds (distance) C4'-P energy: -139.227 bonds (distance) P-C4' energy: -157.071 flat angles C4'-P-C4' energy: -166.473 flat angles P-C4'-P energy: -99.243 tors. eta vs tors. theta energy: -212.902 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: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2387.995841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.995841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.995841 (E_RNA) where: Base-Base interactions energy: -1617.980 where: short stacking energy: -679.932 Base-Backbone interact. energy: 3.068 local terms energy: -773.083884 where: bonds (distance) C4'-P energy: -159.378 bonds (distance) P-C4' energy: -140.803 flat angles C4'-P-C4' energy: -172.462 flat angles P-C4'-P energy: -111.547 tors. eta vs tors. theta energy: -188.894 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: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2240.726941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.726941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.726941 (E_RNA) where: Base-Base interactions energy: -1535.623 where: short stacking energy: -648.115 Base-Backbone interact. energy: -3.299 local terms energy: -701.804694 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -146.287 flat angles C4'-P-C4' energy: -159.319 flat angles P-C4'-P energy: -94.342 tors. eta vs tors. theta energy: -168.932 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2213.970864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.970864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.970864 (E_RNA) where: Base-Base interactions energy: -1520.818 where: short stacking energy: -636.679 Base-Backbone interact. energy: -0.854 local terms energy: -692.298894 where: bonds (distance) C4'-P energy: -148.367 bonds (distance) P-C4' energy: -119.997 flat angles C4'-P-C4' energy: -150.035 flat angles P-C4'-P energy: -100.010 tors. eta vs tors. theta energy: -173.890 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: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1924.383149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.383149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.383149 (E_RNA) where: Base-Base interactions energy: -1270.922 where: short stacking energy: -545.099 Base-Backbone interact. energy: -1.594 local terms energy: -651.867637 where: bonds (distance) C4'-P energy: -124.686 bonds (distance) P-C4' energy: -134.987 flat angles C4'-P-C4' energy: -141.296 flat angles P-C4'-P energy: -105.468 tors. eta vs tors. theta energy: -145.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1720.137673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.137673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.137673 (E_RNA) where: Base-Base interactions energy: -1109.883 where: short stacking energy: -496.630 Base-Backbone interact. energy: -1.736 local terms energy: -608.518987 where: bonds (distance) C4'-P energy: -141.030 bonds (distance) P-C4' energy: -135.633 flat angles C4'-P-C4' energy: -130.138 flat angles P-C4'-P energy: -91.949 tors. eta vs tors. theta energy: -109.769 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: 145 Temperature: 1.250000 Total energy: -1395.392440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.392440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.392440 (E_RNA) where: Base-Base interactions energy: -857.555 where: short stacking energy: -396.495 Base-Backbone interact. energy: -1.144 local terms energy: -536.693031 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -127.193 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -87.175 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1130.832625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.832625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.832625 (E_RNA) where: Base-Base interactions energy: -663.591 where: short stacking energy: -320.692 Base-Backbone interact. energy: -2.177 local terms energy: -465.065232 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -128.159 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -70.226 tors. eta vs tors. theta energy: -21.180 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: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -876.215670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.215670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.215670 (E_RNA) where: Base-Base interactions energy: -465.131 where: short stacking energy: -256.760 Base-Backbone interact. energy: 1.920 local terms energy: -413.004252 where: bonds (distance) C4'-P energy: -99.694 bonds (distance) P-C4' energy: -130.652 flat angles C4'-P-C4' energy: -107.218 flat angles P-C4'-P energy: -73.451 tors. eta vs tors. theta energy: -1.990 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: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2700.931541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.931541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.931541 (E_RNA) where: Base-Base interactions energy: -1887.544 where: short stacking energy: -764.128 Base-Backbone interact. energy: -4.493 local terms energy: -808.894410 where: bonds (distance) C4'-P energy: -142.131 bonds (distance) P-C4' energy: -156.014 flat angles C4'-P-C4' energy: -177.341 flat angles P-C4'-P energy: -112.042 tors. eta vs tors. theta energy: -221.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2567.108236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.108236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.108236 (E_RNA) where: Base-Base interactions energy: -1797.638 where: short stacking energy: -722.611 Base-Backbone interact. energy: -3.440 local terms energy: -766.029861 where: bonds (distance) C4'-P energy: -150.486 bonds (distance) P-C4' energy: -140.380 flat angles C4'-P-C4' energy: -169.068 flat angles P-C4'-P energy: -106.052 tors. eta vs tors. theta energy: -200.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2341.280064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.280064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.280064 (E_RNA) where: Base-Base interactions energy: -1586.236 where: short stacking energy: -683.508 Base-Backbone interact. energy: -1.170 local terms energy: -753.873626 where: bonds (distance) C4'-P energy: -142.502 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -171.567 flat angles P-C4'-P energy: -112.218 tors. eta vs tors. theta energy: -180.625 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: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2335.359967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.359967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.359967 (E_RNA) where: Base-Base interactions energy: -1592.865 where: short stacking energy: -671.928 Base-Backbone interact. energy: -0.608 local terms energy: -741.886861 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -141.462 flat angles C4'-P-C4' energy: -162.477 flat angles P-C4'-P energy: -112.683 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2115.403532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.403532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.403532 (E_RNA) where: Base-Base interactions energy: -1424.391 where: short stacking energy: -639.130 Base-Backbone interact. energy: -2.838 local terms energy: -688.175115 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -139.753 flat angles C4'-P-C4' energy: -162.198 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -167.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1991.620344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.620344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.620344 (E_RNA) where: Base-Base interactions energy: -1308.332 where: short stacking energy: -576.785 Base-Backbone interact. energy: -3.580 local terms energy: -679.708661 where: bonds (distance) C4'-P energy: -142.938 bonds (distance) P-C4' energy: -148.112 flat angles C4'-P-C4' energy: -157.568 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -159.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1756.238675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.238675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.238675 (E_RNA) where: Base-Base interactions energy: -1202.968 where: short stacking energy: -520.950 Base-Backbone interact. energy: -0.128 local terms energy: -553.142347 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -122.017 flat angles P-C4'-P energy: -80.088 tors. eta vs tors. theta energy: -108.378 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: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1383.960372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.960372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.960372 (E_RNA) where: Base-Base interactions energy: -849.472 where: short stacking energy: -395.131 Base-Backbone interact. energy: -3.916 local terms energy: -530.572360 where: bonds (distance) C4'-P energy: -119.612 bonds (distance) P-C4' energy: -131.397 flat angles C4'-P-C4' energy: -133.109 flat angles P-C4'-P energy: -60.702 tors. eta vs tors. theta energy: -85.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1162.216865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.216865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.216865 (E_RNA) where: Base-Base interactions energy: -694.936 where: short stacking energy: -337.102 Base-Backbone interact. energy: -2.147 local terms energy: -465.134236 where: bonds (distance) C4'-P energy: -123.297 bonds (distance) P-C4' energy: -122.721 flat angles C4'-P-C4' energy: -125.176 flat angles P-C4'-P energy: -61.705 tors. eta vs tors. theta energy: -32.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -823.291443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.291443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.291443 (E_RNA) where: Base-Base interactions energy: -378.496 where: short stacking energy: -211.254 Base-Backbone interact. energy: 6.325 local terms energy: -451.120843 where: bonds (distance) C4'-P energy: -125.076 bonds (distance) P-C4' energy: -129.570 flat angles C4'-P-C4' energy: -123.828 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: 10.774 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: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2676.107116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.107116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.107116 (E_RNA) where: Base-Base interactions energy: -1829.137 where: short stacking energy: -754.659 Base-Backbone interact. energy: 0.099 local terms energy: -847.069306 where: bonds (distance) C4'-P energy: -151.665 bonds (distance) P-C4' energy: -171.802 flat angles C4'-P-C4' energy: -180.612 flat angles P-C4'-P energy: -124.038 tors. eta vs tors. theta energy: -218.952 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2574.912775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.912775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.912775 (E_RNA) where: Base-Base interactions energy: -1792.271 where: short stacking energy: -729.016 Base-Backbone interact. energy: 2.404 local terms energy: -785.045646 where: bonds (distance) C4'-P energy: -159.831 bonds (distance) P-C4' energy: -144.159 flat angles C4'-P-C4' energy: -170.511 flat angles P-C4'-P energy: -112.812 tors. eta vs tors. theta energy: -197.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2365.083206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.083206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.083206 (E_RNA) where: Base-Base interactions energy: -1630.410 where: short stacking energy: -698.534 Base-Backbone interact. energy: -3.933 local terms energy: -730.739430 where: bonds (distance) C4'-P energy: -136.513 bonds (distance) P-C4' energy: -158.138 flat angles C4'-P-C4' energy: -165.951 flat angles P-C4'-P energy: -100.286 tors. eta vs tors. theta energy: -169.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2340.195537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.195537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.195537 (E_RNA) where: Base-Base interactions energy: -1577.352 where: short stacking energy: -679.082 Base-Backbone interact. energy: -5.274 local terms energy: -757.569288 where: bonds (distance) C4'-P energy: -152.266 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -174.829 flat angles P-C4'-P energy: -108.578 tors. eta vs tors. theta energy: -188.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2165.841669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.841669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.841669 (E_RNA) where: Base-Base interactions energy: -1483.546 where: short stacking energy: -648.678 Base-Backbone interact. energy: 3.578 local terms energy: -685.873766 where: bonds (distance) C4'-P energy: -136.176 bonds (distance) P-C4' energy: -138.822 flat angles C4'-P-C4' energy: -148.499 flat angles P-C4'-P energy: -92.866 tors. eta vs tors. theta energy: -169.511 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: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1963.117682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.117682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.117682 (E_RNA) where: Base-Base interactions energy: -1331.430 where: short stacking energy: -573.089 Base-Backbone interact. energy: -2.760 local terms energy: -628.926781 where: bonds (distance) C4'-P energy: -126.144 bonds (distance) P-C4' energy: -123.444 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -97.782 tors. eta vs tors. theta energy: -144.355 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1771.668832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.668832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.668832 (E_RNA) where: Base-Base interactions energy: -1172.512 where: short stacking energy: -514.130 Base-Backbone interact. energy: -0.314 local terms energy: -598.843106 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -138.868 flat angles C4'-P-C4' energy: -140.545 flat angles P-C4'-P energy: -86.728 tors. eta vs tors. theta energy: -118.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1356.718117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.718117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.718117 (E_RNA) where: Base-Base interactions energy: -857.705 where: short stacking energy: -386.004 Base-Backbone interact. energy: -1.827 local terms energy: -497.186155 where: bonds (distance) C4'-P energy: -132.155 bonds (distance) P-C4' energy: -127.090 flat angles C4'-P-C4' energy: -120.184 flat angles P-C4'-P energy: -54.773 tors. eta vs tors. theta energy: -62.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1137.767771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.767771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.767771 (E_RNA) where: Base-Base interactions energy: -702.275 where: short stacking energy: -334.007 Base-Backbone interact. energy: 0.927 local terms energy: -436.419947 where: bonds (distance) C4'-P energy: -125.247 bonds (distance) P-C4' energy: -100.858 flat angles C4'-P-C4' energy: -106.934 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -33.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -853.060056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.060056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.060056 (E_RNA) where: Base-Base interactions energy: -411.354 where: short stacking energy: -241.051 Base-Backbone interact. energy: 0.341 local terms energy: -442.047016 where: bonds (distance) C4'-P energy: -129.094 bonds (distance) P-C4' energy: -135.291 flat angles C4'-P-C4' energy: -109.595 flat angles P-C4'-P energy: -58.910 tors. eta vs tors. theta energy: -9.158 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2650.621548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.621548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.621548 (E_RNA) where: Base-Base interactions energy: -1821.622 where: short stacking energy: -749.668 Base-Backbone interact. energy: -5.424 local terms energy: -823.575607 where: bonds (distance) C4'-P energy: -158.504 bonds (distance) P-C4' energy: -147.423 flat angles C4'-P-C4' energy: -175.652 flat angles P-C4'-P energy: -122.770 tors. eta vs tors. theta energy: -219.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2582.080842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.080842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.080842 (E_RNA) where: Base-Base interactions energy: -1795.618 where: short stacking energy: -741.802 Base-Backbone interact. energy: -2.693 local terms energy: -783.770282 where: bonds (distance) C4'-P energy: -161.068 bonds (distance) P-C4' energy: -148.871 flat angles C4'-P-C4' energy: -172.679 flat angles P-C4'-P energy: -97.874 tors. eta vs tors. theta energy: -203.279 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: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2331.131762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.131762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.131762 (E_RNA) where: Base-Base interactions energy: -1584.996 where: short stacking energy: -680.297 Base-Backbone interact. energy: -2.099 local terms energy: -744.036384 where: bonds (distance) C4'-P energy: -144.600 bonds (distance) P-C4' energy: -148.790 flat angles C4'-P-C4' energy: -159.179 flat angles P-C4'-P energy: -105.354 tors. eta vs tors. theta energy: -186.113 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: 148 Temperature: 1.050000 Total energy: -2336.985099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.985099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.985099 (E_RNA) where: Base-Base interactions energy: -1567.420 where: short stacking energy: -689.822 Base-Backbone interact. energy: -5.877 local terms energy: -763.687884 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -153.765 flat angles C4'-P-C4' energy: -157.929 flat angles P-C4'-P energy: -101.913 tors. eta vs tors. theta energy: -199.936 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: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2141.449270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.449270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.449270 (E_RNA) where: Base-Base interactions energy: -1452.039 where: short stacking energy: -624.126 Base-Backbone interact. energy: 0.024 local terms energy: -689.433407 where: bonds (distance) C4'-P energy: -125.869 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -154.710 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -172.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1943.116936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.116936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.116936 (E_RNA) where: Base-Base interactions energy: -1293.764 where: short stacking energy: -577.857 Base-Backbone interact. energy: -2.092 local terms energy: -647.261323 where: bonds (distance) C4'-P energy: -134.513 bonds (distance) P-C4' energy: -132.291 flat angles C4'-P-C4' energy: -137.577 flat angles P-C4'-P energy: -87.665 tors. eta vs tors. theta energy: -155.215 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: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1745.169824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.169824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.169824 (E_RNA) where: Base-Base interactions energy: -1153.708 where: short stacking energy: -503.033 Base-Backbone interact. energy: 4.910 local terms energy: -596.371989 where: bonds (distance) C4'-P energy: -116.593 bonds (distance) P-C4' energy: -127.090 flat angles C4'-P-C4' energy: -150.471 flat angles P-C4'-P energy: -83.285 tors. eta vs tors. theta energy: -118.933 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: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1382.670724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.670724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.670724 (E_RNA) where: Base-Base interactions energy: -842.372 where: short stacking energy: -387.557 Base-Backbone interact. energy: -2.360 local terms energy: -537.938680 where: bonds (distance) C4'-P energy: -123.416 bonds (distance) P-C4' energy: -112.778 flat angles C4'-P-C4' energy: -135.532 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -70.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1156.653950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.653950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.653950 (E_RNA) where: Base-Base interactions energy: -658.358 where: short stacking energy: -316.676 Base-Backbone interact. energy: 1.780 local terms energy: -500.076160 where: bonds (distance) C4'-P energy: -109.177 bonds (distance) P-C4' energy: -141.678 flat angles C4'-P-C4' energy: -121.054 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -45.567 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: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -899.813316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.813316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.813316 (E_RNA) where: Base-Base interactions energy: -484.657 where: short stacking energy: -265.860 Base-Backbone interact. energy: 3.702 local terms energy: -418.858165 where: bonds (distance) C4'-P energy: -106.058 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -117.875 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -18.141 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: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2683.712263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.712263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.712263 (E_RNA) where: Base-Base interactions energy: -1895.204 where: short stacking energy: -777.558 Base-Backbone interact. energy: -3.576 local terms energy: -784.932755 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -154.433 flat angles C4'-P-C4' energy: -163.039 flat angles P-C4'-P energy: -114.625 tors. eta vs tors. theta energy: -218.707 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2579.066373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.066373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.066373 (E_RNA) where: Base-Base interactions energy: -1794.509 where: short stacking energy: -705.943 Base-Backbone interact. energy: -5.009 local terms energy: -779.548666 where: bonds (distance) C4'-P energy: -154.368 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -168.301 flat angles P-C4'-P energy: -109.919 tors. eta vs tors. theta energy: -197.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2343.836756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.836756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.836756 (E_RNA) where: Base-Base interactions energy: -1592.877 where: short stacking energy: -689.750 Base-Backbone interact. energy: -3.884 local terms energy: -747.075474 where: bonds (distance) C4'-P energy: -141.427 bonds (distance) P-C4' energy: -132.322 flat angles C4'-P-C4' energy: -166.591 flat angles P-C4'-P energy: -114.901 tors. eta vs tors. theta energy: -191.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2324.073717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.073717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.073717 (E_RNA) where: Base-Base interactions energy: -1624.595 where: short stacking energy: -722.334 Base-Backbone interact. energy: -3.765 local terms energy: -695.712870 where: bonds (distance) C4'-P energy: -121.305 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -163.328 flat angles P-C4'-P energy: -92.301 tors. eta vs tors. theta energy: -189.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2135.773886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.773886 (E_RNA) where: Base-Base interactions energy: -1432.986 where: short stacking energy: -630.753 Base-Backbone interact. energy: 2.369 local terms energy: -705.156721 where: bonds (distance) C4'-P energy: -135.064 bonds (distance) P-C4' energy: -144.555 flat angles C4'-P-C4' energy: -159.783 flat angles P-C4'-P energy: -93.164 tors. eta vs tors. theta energy: -172.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1979.740273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.740273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.740273 (E_RNA) where: Base-Base interactions energy: -1294.513 where: short stacking energy: -566.429 Base-Backbone interact. energy: -0.885 local terms energy: -684.342645 where: bonds (distance) C4'-P energy: -125.601 bonds (distance) P-C4' energy: -153.184 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -102.585 tors. eta vs tors. theta energy: -150.111 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1738.181479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.181479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.181479 (E_RNA) where: Base-Base interactions energy: -1129.443 where: short stacking energy: -483.992 Base-Backbone interact. energy: -0.774 local terms energy: -607.964795 where: bonds (distance) C4'-P energy: -112.893 bonds (distance) P-C4' energy: -139.684 flat angles C4'-P-C4' energy: -139.300 flat angles P-C4'-P energy: -96.331 tors. eta vs tors. theta energy: -119.756 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: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1362.819850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.819850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.819850 (E_RNA) where: Base-Base interactions energy: -855.049 where: short stacking energy: -403.562 Base-Backbone interact. energy: -2.022 local terms energy: -505.748869 where: bonds (distance) C4'-P energy: -133.617 bonds (distance) P-C4' energy: -111.679 flat angles C4'-P-C4' energy: -119.806 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -59.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1127.150160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.150160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.150160 (E_RNA) where: Base-Base interactions energy: -648.886 where: short stacking energy: -319.724 Base-Backbone interact. energy: -3.606 local terms energy: -474.657969 where: bonds (distance) C4'-P energy: -120.927 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: -34.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -860.953960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.953960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.953960 (E_RNA) where: Base-Base interactions energy: -413.043 where: short stacking energy: -220.270 Base-Backbone interact. energy: 0.569 local terms energy: -448.479118 where: bonds (distance) C4'-P energy: -117.405 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -114.789 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -19.348 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: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2701.948666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.948666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.948666 (E_RNA) where: Base-Base interactions energy: -1884.744 where: short stacking energy: -774.743 Base-Backbone interact. energy: -5.586 local terms energy: -811.618594 where: bonds (distance) C4'-P energy: -149.869 bonds (distance) P-C4' energy: -154.788 flat angles C4'-P-C4' energy: -170.240 flat angles P-C4'-P energy: -112.869 tors. eta vs tors. theta energy: -223.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2561.344883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.344883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.344883 (E_RNA) where: Base-Base interactions energy: -1790.523 where: short stacking energy: -704.804 Base-Backbone interact. energy: -6.444 local terms energy: -764.377731 where: bonds (distance) C4'-P energy: -146.148 bonds (distance) P-C4' energy: -150.526 flat angles C4'-P-C4' energy: -170.277 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -188.636 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: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2379.240682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.240682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.240682 (E_RNA) where: Base-Base interactions energy: -1589.816 where: short stacking energy: -701.199 Base-Backbone interact. energy: -3.011 local terms energy: -786.413734 where: bonds (distance) C4'-P energy: -149.119 bonds (distance) P-C4' energy: -155.384 flat angles C4'-P-C4' energy: -167.988 flat angles P-C4'-P energy: -107.920 tors. eta vs tors. theta energy: -206.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2241.983593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.983593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.983593 (E_RNA) where: Base-Base interactions energy: -1541.402 where: short stacking energy: -671.329 Base-Backbone interact. energy: -3.975 local terms energy: -696.606826 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -149.041 flat angles C4'-P-C4' energy: -157.710 flat angles P-C4'-P energy: -84.410 tors. eta vs tors. theta energy: -176.876 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: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2150.998321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.998321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.998321 (E_RNA) where: Base-Base interactions energy: -1436.007 where: short stacking energy: -620.441 Base-Backbone interact. energy: -2.876 local terms energy: -712.115591 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -151.120 flat angles P-C4'-P energy: -101.250 tors. eta vs tors. theta energy: -172.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1929.854281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.854281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.854281 (E_RNA) where: Base-Base interactions energy: -1267.063 where: short stacking energy: -558.075 Base-Backbone interact. energy: -0.312 local terms energy: -662.479810 where: bonds (distance) C4'-P energy: -145.128 bonds (distance) P-C4' energy: -132.114 flat angles C4'-P-C4' energy: -142.946 flat angles P-C4'-P energy: -91.930 tors. eta vs tors. theta energy: -150.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1696.932083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.932083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.932083 (E_RNA) where: Base-Base interactions energy: -1107.250 where: short stacking energy: -472.407 Base-Backbone interact. energy: -4.922 local terms energy: -584.760195 where: bonds (distance) C4'-P energy: -127.078 bonds (distance) P-C4' energy: -122.821 flat angles C4'-P-C4' energy: -138.840 flat angles P-C4'-P energy: -99.020 tors. eta vs tors. theta energy: -97.001 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: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1397.658626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.658626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.658626 (E_RNA) where: Base-Base interactions energy: -897.434 where: short stacking energy: -404.617 Base-Backbone interact. energy: -2.460 local terms energy: -497.764520 where: bonds (distance) C4'-P energy: -114.109 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -126.170 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -50.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1078.182472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.182472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.182472 (E_RNA) where: Base-Base interactions energy: -642.002 where: short stacking energy: -326.760 Base-Backbone interact. energy: 1.665 local terms energy: -437.845694 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -118.089 flat angles C4'-P-C4' energy: -114.103 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -19.820 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: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -901.682491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.682491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.682491 (E_RNA) where: Base-Base interactions energy: -479.993 where: short stacking energy: -247.670 Base-Backbone interact. energy: -2.755 local terms energy: -418.934287 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -116.673 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: 1.277 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: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2692.256846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.256846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.256846 (E_RNA) where: Base-Base interactions energy: -1858.064 where: short stacking energy: -765.661 Base-Backbone interact. energy: -4.889 local terms energy: -829.303995 where: bonds (distance) C4'-P energy: -155.682 bonds (distance) P-C4' energy: -157.717 flat angles C4'-P-C4' energy: -166.609 flat angles P-C4'-P energy: -136.971 tors. eta vs tors. theta energy: -212.325 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: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2594.937280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.937280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.937280 (E_RNA) where: Base-Base interactions energy: -1831.870 where: short stacking energy: -729.335 Base-Backbone interact. energy: -5.019 local terms energy: -758.048444 where: bonds (distance) C4'-P energy: -154.019 bonds (distance) P-C4' energy: -135.776 flat angles C4'-P-C4' energy: -170.399 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -192.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2348.673639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.673639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.673639 (E_RNA) where: Base-Base interactions energy: -1608.486 where: short stacking energy: -690.698 Base-Backbone interact. energy: -1.616 local terms energy: -738.571470 where: bonds (distance) C4'-P energy: -139.134 bonds (distance) P-C4' energy: -165.025 flat angles C4'-P-C4' energy: -157.347 flat angles P-C4'-P energy: -98.450 tors. eta vs tors. theta energy: -178.615 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: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2231.574662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.574662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.574662 (E_RNA) where: Base-Base interactions energy: -1544.774 where: short stacking energy: -665.903 Base-Backbone interact. energy: -0.401 local terms energy: -686.399696 where: bonds (distance) C4'-P energy: -140.663 bonds (distance) P-C4' energy: -134.586 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -87.470 tors. eta vs tors. theta energy: -167.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2131.094637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.094637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.094637 (E_RNA) where: Base-Base interactions energy: -1431.791 where: short stacking energy: -607.959 Base-Backbone interact. energy: -5.359 local terms energy: -693.944077 where: bonds (distance) C4'-P energy: -114.353 bonds (distance) P-C4' energy: -157.680 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -97.927 tors. eta vs tors. theta energy: -164.417 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: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1984.047652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.047652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.047652 (E_RNA) where: Base-Base interactions energy: -1327.671 where: short stacking energy: -573.619 Base-Backbone interact. energy: -0.536 local terms energy: -655.840393 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -113.999 flat angles C4'-P-C4' energy: -148.865 flat angles P-C4'-P energy: -98.777 tors. eta vs tors. theta energy: -160.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1746.359819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.359819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.359819 (E_RNA) where: Base-Base interactions energy: -1152.089 where: short stacking energy: -507.662 Base-Backbone interact. energy: -0.841 local terms energy: -593.429085 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -132.375 flat angles C4'-P-C4' energy: -147.592 flat angles P-C4'-P energy: -99.154 tors. eta vs tors. theta energy: -100.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1431.167138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.167138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.167138 (E_RNA) where: Base-Base interactions energy: -884.711 where: short stacking energy: -397.162 Base-Backbone interact. energy: -2.204 local terms energy: -544.252591 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -72.651 tors. eta vs tors. theta energy: -73.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1104.204747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.204747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.204747 (E_RNA) where: Base-Base interactions energy: -617.291 where: short stacking energy: -343.343 Base-Backbone interact. energy: -0.997 local terms energy: -485.916310 where: bonds (distance) C4'-P energy: -124.166 bonds (distance) P-C4' energy: -112.978 flat angles C4'-P-C4' energy: -106.460 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -49.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -930.701093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.701093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.701093 (E_RNA) where: Base-Base interactions energy: -545.675 where: short stacking energy: -274.402 Base-Backbone interact. energy: -6.270 local terms energy: -378.755663 where: bonds (distance) C4'-P energy: -95.161 bonds (distance) P-C4' energy: -113.086 flat angles C4'-P-C4' energy: -120.028 flat angles P-C4'-P energy: -40.142 tors. eta vs tors. theta energy: -10.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2678.152120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.152120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.152120 (E_RNA) where: Base-Base interactions energy: -1861.848 where: short stacking energy: -742.230 Base-Backbone interact. energy: -1.903 local terms energy: -814.401013 where: bonds (distance) C4'-P energy: -155.277 bonds (distance) P-C4' energy: -148.068 flat angles C4'-P-C4' energy: -187.532 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -218.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2588.299778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.299778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.299778 (E_RNA) where: Base-Base interactions energy: -1779.440 where: short stacking energy: -731.116 Base-Backbone interact. energy: -7.743 local terms energy: -801.116837 where: bonds (distance) C4'-P energy: -152.602 bonds (distance) P-C4' energy: -144.916 flat angles C4'-P-C4' energy: -178.040 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -200.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2358.640202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.640202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.640202 (E_RNA) where: Base-Base interactions energy: -1590.910 where: short stacking energy: -696.003 Base-Backbone interact. energy: 1.253 local terms energy: -768.983338 where: bonds (distance) C4'-P energy: -150.335 bonds (distance) P-C4' energy: -148.681 flat angles C4'-P-C4' energy: -158.778 flat angles P-C4'-P energy: -110.563 tors. eta vs tors. theta energy: -200.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2205.257290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.257290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.257290 (E_RNA) where: Base-Base interactions energy: -1482.271 where: short stacking energy: -661.985 Base-Backbone interact. energy: -1.814 local terms energy: -721.172254 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -133.368 flat angles C4'-P-C4' energy: -167.811 flat angles P-C4'-P energy: -108.088 tors. eta vs tors. theta energy: -179.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2151.645692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.645692 (E_RNA) where: Base-Base interactions energy: -1436.639 where: short stacking energy: -638.561 Base-Backbone interact. energy: -0.184 local terms energy: -714.823356 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -141.590 flat angles C4'-P-C4' energy: -162.230 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -172.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2014.165051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.165051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.165051 (E_RNA) where: Base-Base interactions energy: -1378.998 where: short stacking energy: -597.903 Base-Backbone interact. energy: -2.619 local terms energy: -632.548258 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -124.424 flat angles C4'-P-C4' energy: -142.568 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -157.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1755.066140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.066140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.066140 (E_RNA) where: Base-Base interactions energy: -1158.707 where: short stacking energy: -490.693 Base-Backbone interact. energy: -4.307 local terms energy: -592.052331 where: bonds (distance) C4'-P energy: -126.455 bonds (distance) P-C4' energy: -143.414 flat angles C4'-P-C4' energy: -121.778 flat angles P-C4'-P energy: -100.136 tors. eta vs tors. theta energy: -100.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1470.178096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.178096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.178096 (E_RNA) where: Base-Base interactions energy: -928.976 where: short stacking energy: -455.358 Base-Backbone interact. energy: 0.582 local terms energy: -541.784164 where: bonds (distance) C4'-P energy: -118.451 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -127.679 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -84.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1037.452661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.452661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.452661 (E_RNA) where: Base-Base interactions energy: -567.205 where: short stacking energy: -306.393 Base-Backbone interact. energy: -2.142 local terms energy: -468.105670 where: bonds (distance) C4'-P energy: -116.921 bonds (distance) P-C4' energy: -132.777 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -76.347 tors. eta vs tors. theta energy: -34.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -889.098191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.098191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.098191 (E_RNA) where: Base-Base interactions energy: -472.390 where: short stacking energy: -244.103 Base-Backbone interact. energy: 0.749 local terms energy: -417.457499 where: bonds (distance) C4'-P energy: -108.264 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -64.920 tors. eta vs tors. theta energy: -16.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2669.004383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.004383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.004383 (E_RNA) where: Base-Base interactions energy: -1841.277 where: short stacking energy: -749.333 Base-Backbone interact. energy: -4.192 local terms energy: -823.534866 where: bonds (distance) C4'-P energy: -148.585 bonds (distance) P-C4' energy: -175.339 flat angles C4'-P-C4' energy: -168.684 flat angles P-C4'-P energy: -116.917 tors. eta vs tors. theta energy: -214.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2552.147276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.147276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.147276 (E_RNA) where: Base-Base interactions energy: -1758.645 where: short stacking energy: -720.051 Base-Backbone interact. energy: -2.497 local terms energy: -791.005935 where: bonds (distance) C4'-P energy: -161.087 bonds (distance) P-C4' energy: -155.586 flat angles C4'-P-C4' energy: -165.313 flat angles P-C4'-P energy: -109.743 tors. eta vs tors. theta energy: -199.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2412.419254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.419254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.419254 (E_RNA) where: Base-Base interactions energy: -1656.957 where: short stacking energy: -706.736 Base-Backbone interact. energy: 1.034 local terms energy: -756.496717 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -137.016 flat angles C4'-P-C4' energy: -160.937 flat angles P-C4'-P energy: -114.316 tors. eta vs tors. theta energy: -202.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2199.994466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.994466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.994466 (E_RNA) where: Base-Base interactions energy: -1481.998 where: short stacking energy: -631.600 Base-Backbone interact. energy: -2.233 local terms energy: -715.763007 where: bonds (distance) C4'-P energy: -139.316 bonds (distance) P-C4' energy: -163.094 flat angles C4'-P-C4' energy: -157.962 flat angles P-C4'-P energy: -98.960 tors. eta vs tors. theta energy: -156.431 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: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2172.956705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.956705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.956705 (E_RNA) where: Base-Base interactions energy: -1481.489 where: short stacking energy: -636.090 Base-Backbone interact. energy: -4.146 local terms energy: -687.322452 where: bonds (distance) C4'-P energy: -144.059 bonds (distance) P-C4' energy: -117.076 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -80.113 tors. eta vs tors. theta energy: -182.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2021.419421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.419421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.419421 (E_RNA) where: Base-Base interactions energy: -1363.835 where: short stacking energy: -584.677 Base-Backbone interact. energy: -0.802 local terms energy: -656.782308 where: bonds (distance) C4'-P energy: -119.423 bonds (distance) P-C4' energy: -139.465 flat angles C4'-P-C4' energy: -146.167 flat angles P-C4'-P energy: -95.761 tors. eta vs tors. theta energy: -155.966 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: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1709.685812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.685812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.685812 (E_RNA) where: Base-Base interactions energy: -1129.084 where: short stacking energy: -498.595 Base-Backbone interact. energy: 4.476 local terms energy: -585.077889 where: bonds (distance) C4'-P energy: -121.241 bonds (distance) P-C4' energy: -138.420 flat angles C4'-P-C4' energy: -125.043 flat angles P-C4'-P energy: -88.641 tors. eta vs tors. theta energy: -111.734 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: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1540.828692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.828692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.828692 (E_RNA) where: Base-Base interactions energy: -988.974 where: short stacking energy: -492.552 Base-Backbone interact. energy: -3.190 local terms energy: -548.664956 where: bonds (distance) C4'-P energy: -114.137 bonds (distance) P-C4' energy: -115.607 flat angles C4'-P-C4' energy: -132.696 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -103.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -971.738653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.738653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.738653 (E_RNA) where: Base-Base interactions energy: -558.136 where: short stacking energy: -298.180 Base-Backbone interact. energy: -0.376 local terms energy: -413.226569 where: bonds (distance) C4'-P energy: -125.527 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -1.901 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: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -901.784484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.784484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.784484 (E_RNA) where: Base-Base interactions energy: -473.630 where: short stacking energy: -243.098 Base-Backbone interact. energy: -0.918 local terms energy: -427.237172 where: bonds (distance) C4'-P energy: -84.999 bonds (distance) P-C4' energy: -134.161 flat angles C4'-P-C4' energy: -131.645 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2670.215490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.215490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.215490 (E_RNA) where: Base-Base interactions energy: -1877.663 where: short stacking energy: -751.281 Base-Backbone interact. energy: -3.504 local terms energy: -789.048858 where: bonds (distance) C4'-P energy: -140.629 bonds (distance) P-C4' energy: -144.893 flat angles C4'-P-C4' energy: -181.498 flat angles P-C4'-P energy: -109.690 tors. eta vs tors. theta energy: -212.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2539.781003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.781003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.781003 (E_RNA) where: Base-Base interactions energy: -1737.667 where: short stacking energy: -757.741 Base-Backbone interact. energy: -5.092 local terms energy: -797.022843 where: bonds (distance) C4'-P energy: -146.487 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -184.969 flat angles P-C4'-P energy: -113.264 tors. eta vs tors. theta energy: -200.304 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: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2387.060716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.060716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.060716 (E_RNA) where: Base-Base interactions energy: -1595.747 where: short stacking energy: -712.455 Base-Backbone interact. energy: -0.707 local terms energy: -790.606670 where: bonds (distance) C4'-P energy: -156.024 bonds (distance) P-C4' energy: -150.941 flat angles C4'-P-C4' energy: -165.027 flat angles P-C4'-P energy: -121.722 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: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2190.575480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.575480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.575480 (E_RNA) where: Base-Base interactions energy: -1480.949 where: short stacking energy: -642.191 Base-Backbone interact. energy: -1.240 local terms energy: -708.386543 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -152.743 flat angles C4'-P-C4' energy: -156.591 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -172.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2158.125385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.125385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.125385 (E_RNA) where: Base-Base interactions energy: -1466.127 where: short stacking energy: -648.512 Base-Backbone interact. energy: -3.360 local terms energy: -688.637532 where: bonds (distance) C4'-P energy: -135.478 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -151.354 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -180.043 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: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1983.820488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.820488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.820488 (E_RNA) where: Base-Base interactions energy: -1300.907 where: short stacking energy: -594.303 Base-Backbone interact. energy: -1.892 local terms energy: -681.021829 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -135.361 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -108.433 tors. eta vs tors. theta energy: -157.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1757.350226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.350226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.350226 (E_RNA) where: Base-Base interactions energy: -1186.375 where: short stacking energy: -540.199 Base-Backbone interact. energy: 3.658 local terms energy: -574.633119 where: bonds (distance) C4'-P energy: -115.307 bonds (distance) P-C4' energy: -110.544 flat angles C4'-P-C4' energy: -135.750 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -114.774 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: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1524.153652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.153652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.153652 (E_RNA) where: Base-Base interactions energy: -973.392 where: short stacking energy: -455.950 Base-Backbone interact. energy: 0.995 local terms energy: -551.757177 where: bonds (distance) C4'-P energy: -116.105 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -126.875 flat angles P-C4'-P energy: -84.652 tors. eta vs tors. theta energy: -85.592 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: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -944.619532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.619532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.619532 (E_RNA) where: Base-Base interactions energy: -516.954 where: short stacking energy: -242.201 Base-Backbone interact. energy: 12.052 local terms energy: -439.717334 where: bonds (distance) C4'-P energy: -112.244 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -19.574 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: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -869.849465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.849465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.849465 (E_RNA) where: Base-Base interactions energy: -458.276 where: short stacking energy: -236.774 Base-Backbone interact. energy: -0.485 local terms energy: -411.089137 where: bonds (distance) C4'-P energy: -121.073 bonds (distance) P-C4' energy: -122.825 flat angles C4'-P-C4' energy: -95.559 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: 1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2673.329535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.329535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.329535 (E_RNA) where: Base-Base interactions energy: -1845.017 where: short stacking energy: -775.430 Base-Backbone interact. energy: -6.995 local terms energy: -821.316720 where: bonds (distance) C4'-P energy: -144.624 bonds (distance) P-C4' energy: -159.743 flat angles C4'-P-C4' energy: -178.172 flat angles P-C4'-P energy: -114.223 tors. eta vs tors. theta energy: -224.553 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: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2566.549484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.549484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.549484 (E_RNA) where: Base-Base interactions energy: -1788.701 where: short stacking energy: -767.058 Base-Backbone interact. energy: -2.187 local terms energy: -775.661348 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -147.676 flat angles C4'-P-C4' energy: -173.601 flat angles P-C4'-P energy: -106.744 tors. eta vs tors. theta energy: -203.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2395.293085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.293085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.293085 (E_RNA) where: Base-Base interactions energy: -1640.055 where: short stacking energy: -728.838 Base-Backbone interact. energy: -3.507 local terms energy: -751.730897 where: bonds (distance) C4'-P energy: -121.033 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -156.925 flat angles P-C4'-P energy: -107.391 tors. eta vs tors. theta energy: -214.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2228.119333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.119333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.119333 (E_RNA) where: Base-Base interactions energy: -1516.509 where: short stacking energy: -642.429 Base-Backbone interact. energy: 7.880 local terms energy: -719.490095 where: bonds (distance) C4'-P energy: -136.279 bonds (distance) P-C4' energy: -146.409 flat angles C4'-P-C4' energy: -165.302 flat angles P-C4'-P energy: -93.632 tors. eta vs tors. theta energy: -177.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2202.815284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.815284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.815284 (E_RNA) where: Base-Base interactions energy: -1499.548 where: short stacking energy: -675.235 Base-Backbone interact. energy: -2.974 local terms energy: -700.293247 where: bonds (distance) C4'-P energy: -125.521 bonds (distance) P-C4' energy: -144.490 flat angles C4'-P-C4' energy: -156.088 flat angles P-C4'-P energy: -93.627 tors. eta vs tors. theta energy: -180.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2045.300002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.300002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.300002 (E_RNA) where: Base-Base interactions energy: -1365.150 where: short stacking energy: -589.130 Base-Backbone interact. energy: 0.218 local terms energy: -680.368714 where: bonds (distance) C4'-P energy: -132.967 bonds (distance) P-C4' energy: -133.022 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -114.248 tors. eta vs tors. theta energy: -159.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1735.525306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.525306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.525306 (E_RNA) where: Base-Base interactions energy: -1152.600 where: short stacking energy: -529.318 Base-Backbone interact. energy: 3.448 local terms energy: -586.373404 where: bonds (distance) C4'-P energy: -113.092 bonds (distance) P-C4' energy: -125.924 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -76.490 tors. eta vs tors. theta energy: -118.927 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: 155 Temperature: 1.250000 Total energy: -1497.396888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.396888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.396888 (E_RNA) where: Base-Base interactions energy: -924.072 where: short stacking energy: -431.641 Base-Backbone interact. energy: -2.846 local terms energy: -570.479164 where: bonds (distance) C4'-P energy: -135.790 bonds (distance) P-C4' energy: -117.026 flat angles C4'-P-C4' energy: -123.254 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -101.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1067.782240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.782240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.782240 (E_RNA) where: Base-Base interactions energy: -558.619 where: short stacking energy: -294.566 Base-Backbone interact. energy: 3.287 local terms energy: -512.449534 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -120.367 flat angles C4'-P-C4' energy: -157.116 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -30.002 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: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -862.958628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.958628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.958628 (E_RNA) where: Base-Base interactions energy: -439.521 where: short stacking energy: -256.606 Base-Backbone interact. energy: -0.965 local terms energy: -422.472076 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -127.885 flat angles C4'-P-C4' energy: -107.387 flat angles P-C4'-P energy: -71.700 tors. eta vs tors. theta energy: 0.020 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: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2683.356082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.356082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.356082 (E_RNA) where: Base-Base interactions energy: -1841.680 where: short stacking energy: -772.368 Base-Backbone interact. energy: 2.461 local terms energy: -844.136307 where: bonds (distance) C4'-P energy: -156.711 bonds (distance) P-C4' energy: -163.027 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -125.704 tors. eta vs tors. theta energy: -225.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2538.254790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.254790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.254790 (E_RNA) where: Base-Base interactions energy: -1768.872 where: short stacking energy: -749.109 Base-Backbone interact. energy: -2.910 local terms energy: -766.472264 where: bonds (distance) C4'-P energy: -138.925 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -172.466 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -203.871 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: 156 Temperature: 1.000000 Total energy: -2409.246494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.246494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.246494 (E_RNA) where: Base-Base interactions energy: -1634.673 where: short stacking energy: -714.914 Base-Backbone interact. energy: -2.556 local terms energy: -772.017752 where: bonds (distance) C4'-P energy: -148.704 bonds (distance) P-C4' energy: -143.188 flat angles C4'-P-C4' energy: -162.484 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -204.645 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: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2236.631960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.631960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.631960 (E_RNA) where: Base-Base interactions energy: -1519.811 where: short stacking energy: -674.474 Base-Backbone interact. energy: -2.628 local terms energy: -714.193430 where: bonds (distance) C4'-P energy: -119.357 bonds (distance) P-C4' energy: -133.576 flat angles C4'-P-C4' energy: -169.559 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -183.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2171.761644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.761644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.761644 (E_RNA) where: Base-Base interactions energy: -1463.582 where: short stacking energy: -625.821 Base-Backbone interact. energy: -2.669 local terms energy: -705.510729 where: bonds (distance) C4'-P energy: -132.509 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -151.399 flat angles P-C4'-P energy: -107.642 tors. eta vs tors. theta energy: -178.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2016.128053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.128053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.128053 (E_RNA) where: Base-Base interactions energy: -1324.936 where: short stacking energy: -564.021 Base-Backbone interact. energy: -2.670 local terms energy: -688.521681 where: bonds (distance) C4'-P energy: -132.887 bonds (distance) P-C4' energy: -141.682 flat angles C4'-P-C4' energy: -153.559 flat angles P-C4'-P energy: -106.637 tors. eta vs tors. theta energy: -153.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1772.526252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.526252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.526252 (E_RNA) where: Base-Base interactions energy: -1182.871 where: short stacking energy: -519.838 Base-Backbone interact. energy: -1.754 local terms energy: -587.901016 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -125.929 flat angles C4'-P-C4' energy: -134.348 flat angles P-C4'-P energy: -71.123 tors. eta vs tors. theta energy: -126.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1449.474940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.474940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.474940 (E_RNA) where: Base-Base interactions energy: -922.770 where: short stacking energy: -395.030 Base-Backbone interact. energy: -4.335 local terms energy: -522.370812 where: bonds (distance) C4'-P energy: -124.836 bonds (distance) P-C4' energy: -132.321 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -51.230 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: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1094.978005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.978005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.978005 (E_RNA) where: Base-Base interactions energy: -624.535 where: short stacking energy: -328.940 Base-Backbone interact. energy: -0.111 local terms energy: -470.331405 where: bonds (distance) C4'-P energy: -112.107 bonds (distance) P-C4' energy: -128.459 flat angles C4'-P-C4' energy: -96.151 flat angles P-C4'-P energy: -105.362 tors. eta vs tors. theta energy: -28.252 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: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -851.716146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.716146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.716146 (E_RNA) where: Base-Base interactions energy: -442.173 where: short stacking energy: -258.638 Base-Backbone interact. energy: -4.482 local terms energy: -405.060821 where: bonds (distance) C4'-P energy: -113.943 bonds (distance) P-C4' energy: -139.507 flat angles C4'-P-C4' energy: -90.602 flat angles P-C4'-P energy: -64.882 tors. eta vs tors. theta energy: 3.873 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: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2671.504720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.504720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.504720 (E_RNA) where: Base-Base interactions energy: -1865.650 where: short stacking energy: -781.305 Base-Backbone interact. energy: 4.617 local terms energy: -810.471861 where: bonds (distance) C4'-P energy: -138.181 bonds (distance) P-C4' energy: -150.889 flat angles C4'-P-C4' energy: -178.688 flat angles P-C4'-P energy: -122.891 tors. eta vs tors. theta energy: -219.823 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: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2543.001896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.001896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.001896 (E_RNA) where: Base-Base interactions energy: -1734.070 where: short stacking energy: -733.442 Base-Backbone interact. energy: -3.753 local terms energy: -805.178686 where: bonds (distance) C4'-P energy: -136.975 bonds (distance) P-C4' energy: -161.377 flat angles C4'-P-C4' energy: -172.962 flat angles P-C4'-P energy: -117.120 tors. eta vs tors. theta energy: -216.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2391.098449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.098449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.098449 (E_RNA) where: Base-Base interactions energy: -1636.083 where: short stacking energy: -737.924 Base-Backbone interact. energy: -2.519 local terms energy: -752.496505 where: bonds (distance) C4'-P energy: -120.589 bonds (distance) P-C4' energy: -135.478 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -123.529 tors. eta vs tors. theta energy: -204.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2233.379546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.379546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.379546 (E_RNA) where: Base-Base interactions energy: -1520.389 where: short stacking energy: -648.197 Base-Backbone interact. energy: -3.168 local terms energy: -709.823217 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -142.652 flat angles C4'-P-C4' energy: -161.085 flat angles P-C4'-P energy: -106.702 tors. eta vs tors. theta energy: -176.228 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: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2174.408819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.408819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.408819 (E_RNA) where: Base-Base interactions energy: -1461.427 where: short stacking energy: -654.233 Base-Backbone interact. energy: -2.585 local terms energy: -710.396676 where: bonds (distance) C4'-P energy: -142.450 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -93.210 tors. eta vs tors. theta energy: -175.743 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: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1965.078252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.078252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.078252 (E_RNA) where: Base-Base interactions energy: -1301.321 where: short stacking energy: -543.949 Base-Backbone interact. energy: -0.678 local terms energy: -663.078776 where: bonds (distance) C4'-P energy: -123.720 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -150.414 flat angles P-C4'-P energy: -95.134 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: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1751.372315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.372315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.372315 (E_RNA) where: Base-Base interactions energy: -1168.178 where: short stacking energy: -515.824 Base-Backbone interact. energy: -3.255 local terms energy: -579.939495 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -139.697 flat angles P-C4'-P energy: -78.714 tors. eta vs tors. theta energy: -119.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1439.895416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.895416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.895416 (E_RNA) where: Base-Base interactions energy: -904.576 where: short stacking energy: -410.181 Base-Backbone interact. energy: -1.924 local terms energy: -533.395672 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -133.599 flat angles C4'-P-C4' energy: -123.419 flat angles P-C4'-P energy: -60.573 tors. eta vs tors. theta energy: -84.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1094.631995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.631995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.631995 (E_RNA) where: Base-Base interactions energy: -610.049 where: short stacking energy: -308.126 Base-Backbone interact. energy: -0.149 local terms energy: -484.433693 where: bonds (distance) C4'-P energy: -114.672 bonds (distance) P-C4' energy: -121.507 flat angles C4'-P-C4' energy: -117.472 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -38.217 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: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -845.617645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.617645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.617645 (E_RNA) where: Base-Base interactions energy: -426.001 where: short stacking energy: -263.389 Base-Backbone interact. energy: 0.314 local terms energy: -419.931460 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -118.035 flat angles C4'-P-C4' energy: -98.831 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -18.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2678.709281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.709281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.709281 (E_RNA) where: Base-Base interactions energy: -1843.433 where: short stacking energy: -742.605 Base-Backbone interact. energy: -3.455 local terms energy: -831.820931 where: bonds (distance) C4'-P energy: -150.983 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -180.375 flat angles P-C4'-P energy: -128.391 tors. eta vs tors. theta energy: -217.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2538.449396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.449396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.449396 (E_RNA) where: Base-Base interactions energy: -1728.212 where: short stacking energy: -759.614 Base-Backbone interact. energy: -4.557 local terms energy: -805.680591 where: bonds (distance) C4'-P energy: -148.375 bonds (distance) P-C4' energy: -162.456 flat angles C4'-P-C4' energy: -174.105 flat angles P-C4'-P energy: -115.198 tors. eta vs tors. theta energy: -205.548 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: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2400.849094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.849094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.849094 (E_RNA) where: Base-Base interactions energy: -1629.562 where: short stacking energy: -729.739 Base-Backbone interact. energy: -1.426 local terms energy: -769.860689 where: bonds (distance) C4'-P energy: -136.736 bonds (distance) P-C4' energy: -143.539 flat angles C4'-P-C4' energy: -170.431 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -213.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2225.211670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.211670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.211670 (E_RNA) where: Base-Base interactions energy: -1486.955 where: short stacking energy: -656.154 Base-Backbone interact. energy: -5.274 local terms energy: -732.982308 where: bonds (distance) C4'-P energy: -133.626 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -163.755 flat angles P-C4'-P energy: -95.347 tors. eta vs tors. theta energy: -192.270 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2205.211395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.211395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.211395 (E_RNA) where: Base-Base interactions energy: -1514.398 where: short stacking energy: -659.984 Base-Backbone interact. energy: -1.473 local terms energy: -689.340464 where: bonds (distance) C4'-P energy: -122.094 bonds (distance) P-C4' energy: -130.817 flat angles C4'-P-C4' energy: -152.910 flat angles P-C4'-P energy: -95.385 tors. eta vs tors. theta energy: -188.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1935.490202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.490202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.490202 (E_RNA) where: Base-Base interactions energy: -1306.322 where: short stacking energy: -595.689 Base-Backbone interact. energy: -0.134 local terms energy: -629.033658 where: bonds (distance) C4'-P energy: -117.535 bonds (distance) P-C4' energy: -128.572 flat angles C4'-P-C4' energy: -146.484 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -149.271 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: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1797.566846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.566846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.566846 (E_RNA) where: Base-Base interactions energy: -1207.714 where: short stacking energy: -522.337 Base-Backbone interact. energy: 2.903 local terms energy: -592.755314 where: bonds (distance) C4'-P energy: -121.188 bonds (distance) P-C4' energy: -136.747 flat angles C4'-P-C4' energy: -143.868 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -123.591 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: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1427.614211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.614211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.614211 (E_RNA) where: Base-Base interactions energy: -893.583 where: short stacking energy: -396.765 Base-Backbone interact. energy: -1.500 local terms energy: -532.531473 where: bonds (distance) C4'-P energy: -124.723 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -63.395 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: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1022.156409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.156409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.156409 (E_RNA) where: Base-Base interactions energy: -594.109 where: short stacking energy: -285.294 Base-Backbone interact. energy: 0.236 local terms energy: -428.283915 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -96.701 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: -22.799 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: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -807.552384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.552384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.552384 (E_RNA) where: Base-Base interactions energy: -396.049 where: short stacking energy: -228.918 Base-Backbone interact. energy: -1.228 local terms energy: -410.275971 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -135.546 flat angles C4'-P-C4' energy: -106.092 flat angles P-C4'-P energy: -62.355 tors. eta vs tors. theta energy: 17.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2666.470908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.470908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.470908 (E_RNA) where: Base-Base interactions energy: -1851.074 where: short stacking energy: -771.955 Base-Backbone interact. energy: -2.329 local terms energy: -813.067581 where: bonds (distance) C4'-P energy: -150.382 bonds (distance) P-C4' energy: -158.518 flat angles C4'-P-C4' energy: -177.281 flat angles P-C4'-P energy: -107.905 tors. eta vs tors. theta energy: -218.981 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: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2498.790598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.790598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.790598 (E_RNA) where: Base-Base interactions energy: -1718.013 where: short stacking energy: -713.568 Base-Backbone interact. energy: -3.593 local terms energy: -777.184774 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -168.934 flat angles P-C4'-P energy: -119.212 tors. eta vs tors. theta energy: -197.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2426.196109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.196109 (E_RNA) where: Base-Base interactions energy: -1659.871 where: short stacking energy: -764.271 Base-Backbone interact. energy: -3.138 local terms energy: -763.187495 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -134.709 flat angles C4'-P-C4' energy: -174.025 flat angles P-C4'-P energy: -106.216 tors. eta vs tors. theta energy: -220.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2247.958054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.958054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.958054 (E_RNA) where: Base-Base interactions energy: -1537.056 where: short stacking energy: -655.653 Base-Backbone interact. energy: -1.318 local terms energy: -709.583823 where: bonds (distance) C4'-P energy: -144.796 bonds (distance) P-C4' energy: -140.817 flat angles C4'-P-C4' energy: -160.716 flat angles P-C4'-P energy: -91.156 tors. eta vs tors. theta energy: -172.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2132.100019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.100019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.100019 (E_RNA) where: Base-Base interactions energy: -1424.915 where: short stacking energy: -613.393 Base-Backbone interact. energy: -1.641 local terms energy: -705.544444 where: bonds (distance) C4'-P energy: -137.601 bonds (distance) P-C4' energy: -143.362 flat angles C4'-P-C4' energy: -152.634 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -164.527 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: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2033.814919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.814919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.814919 (E_RNA) where: Base-Base interactions energy: -1353.526 where: short stacking energy: -578.490 Base-Backbone interact. energy: -4.611 local terms energy: -675.677989 where: bonds (distance) C4'-P energy: -129.613 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -156.260 flat angles P-C4'-P energy: -94.713 tors. eta vs tors. theta energy: -158.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1797.367016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.367016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.367016 (E_RNA) where: Base-Base interactions energy: -1193.036 where: short stacking energy: -514.293 Base-Backbone interact. energy: -2.417 local terms energy: -601.914289 where: bonds (distance) C4'-P energy: -128.171 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -129.333 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -119.156 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: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1450.783877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.783877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.783877 (E_RNA) where: Base-Base interactions energy: -917.302 where: short stacking energy: -416.152 Base-Backbone interact. energy: -0.478 local terms energy: -533.004027 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -84.509 tors. eta vs tors. theta energy: -79.434 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: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1050.023764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.023764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.023764 (E_RNA) where: Base-Base interactions energy: -595.767 where: short stacking energy: -322.873 Base-Backbone interact. energy: -2.922 local terms energy: -451.335017 where: bonds (distance) C4'-P energy: -112.225 bonds (distance) P-C4' energy: -137.513 flat angles C4'-P-C4' energy: -118.935 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: -27.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -840.266305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.266305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.266305 (E_RNA) where: Base-Base interactions energy: -452.875 where: short stacking energy: -237.595 Base-Backbone interact. energy: -2.773 local terms energy: -384.618700 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -124.492 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -48.654 tors. eta vs tors. theta energy: -15.269 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: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2669.643795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.643795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.643795 (E_RNA) where: Base-Base interactions energy: -1872.799 where: short stacking energy: -775.899 Base-Backbone interact. energy: -1.265 local terms energy: -795.579508 where: bonds (distance) C4'-P energy: -141.768 bonds (distance) P-C4' energy: -161.790 flat angles C4'-P-C4' energy: -172.255 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -216.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2547.754225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.754225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.754225 (E_RNA) where: Base-Base interactions energy: -1748.296 where: short stacking energy: -732.682 Base-Backbone interact. energy: -4.022 local terms energy: -795.436736 where: bonds (distance) C4'-P energy: -157.176 bonds (distance) P-C4' energy: -161.307 flat angles C4'-P-C4' energy: -158.186 flat angles P-C4'-P energy: -121.542 tors. eta vs tors. theta energy: -197.226 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: 160 Temperature: 1.000000 Total energy: -2421.199688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.199688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.199688 (E_RNA) where: Base-Base interactions energy: -1659.224 where: short stacking energy: -707.365 Base-Backbone interact. energy: -4.787 local terms energy: -757.188317 where: bonds (distance) C4'-P energy: -138.852 bonds (distance) P-C4' energy: -143.752 flat angles C4'-P-C4' energy: -166.845 flat angles P-C4'-P energy: -104.573 tors. eta vs tors. theta energy: -203.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2230.658691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.658691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.658691 (E_RNA) where: Base-Base interactions energy: -1502.138 where: short stacking energy: -626.313 Base-Backbone interact. energy: -2.290 local terms energy: -726.230461 where: bonds (distance) C4'-P energy: -163.514 bonds (distance) P-C4' energy: -152.987 flat angles C4'-P-C4' energy: -161.905 flat angles P-C4'-P energy: -88.656 tors. eta vs tors. theta energy: -159.169 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: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2071.450070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.450070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.450070 (E_RNA) where: Base-Base interactions energy: -1366.325 where: short stacking energy: -597.143 Base-Backbone interact. energy: -1.720 local terms energy: -703.405295 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -148.573 flat angles C4'-P-C4' energy: -168.261 flat angles P-C4'-P energy: -105.423 tors. eta vs tors. theta energy: -152.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2148.807703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.807703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.807703 (E_RNA) where: Base-Base interactions energy: -1457.004 where: short stacking energy: -625.362 Base-Backbone interact. energy: -2.850 local terms energy: -688.953860 where: bonds (distance) C4'-P energy: -134.466 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -159.002 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: -174.837 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: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1719.024120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.024120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.024120 (E_RNA) where: Base-Base interactions energy: -1135.838 where: short stacking energy: -470.500 Base-Backbone interact. energy: -0.348 local terms energy: -582.838571 where: bonds (distance) C4'-P energy: -115.989 bonds (distance) P-C4' energy: -135.811 flat angles C4'-P-C4' energy: -151.550 flat angles P-C4'-P energy: -91.721 tors. eta vs tors. theta energy: -87.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1456.139199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.139199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.139199 (E_RNA) where: Base-Base interactions energy: -937.698 where: short stacking energy: -439.666 Base-Backbone interact. energy: 0.373 local terms energy: -518.814103 where: bonds (distance) C4'-P energy: -110.470 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -141.861 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -91.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1124.038220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.038220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.038220 (E_RNA) where: Base-Base interactions energy: -643.254 where: short stacking energy: -331.493 Base-Backbone interact. energy: 11.398 local terms energy: -492.182980 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -146.491 flat angles C4'-P-C4' energy: -117.534 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -36.137 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: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -868.866246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.866246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.866246 (E_RNA) where: Base-Base interactions energy: -424.473 where: short stacking energy: -239.586 Base-Backbone interact. energy: 1.811 local terms energy: -446.204552 where: bonds (distance) C4'-P energy: -134.621 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -107.226 flat angles P-C4'-P energy: -78.432 tors. eta vs tors. theta energy: -10.101 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: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2699.530515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.530515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.530515 (E_RNA) where: Base-Base interactions energy: -1877.584 where: short stacking energy: -779.089 Base-Backbone interact. energy: -0.466 local terms energy: -821.480311 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -165.247 flat angles C4'-P-C4' energy: -180.853 flat angles P-C4'-P energy: -109.315 tors. eta vs tors. theta energy: -218.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2548.490767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.490767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.490767 (E_RNA) where: Base-Base interactions energy: -1763.985 where: short stacking energy: -743.780 Base-Backbone interact. energy: -4.753 local terms energy: -779.753098 where: bonds (distance) C4'-P energy: -152.893 bonds (distance) P-C4' energy: -160.136 flat angles C4'-P-C4' energy: -161.044 flat angles P-C4'-P energy: -103.566 tors. eta vs tors. theta energy: -202.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2389.910348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.910348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.910348 (E_RNA) where: Base-Base interactions energy: -1634.531 where: short stacking energy: -712.973 Base-Backbone interact. energy: -3.285 local terms energy: -752.093702 where: bonds (distance) C4'-P energy: -153.759 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -150.687 flat angles P-C4'-P energy: -110.723 tors. eta vs tors. theta energy: -195.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2265.558306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.558306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.558306 (E_RNA) where: Base-Base interactions energy: -1540.665 where: short stacking energy: -655.188 Base-Backbone interact. energy: -4.008 local terms energy: -720.885849 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -143.508 flat angles C4'-P-C4' energy: -157.493 flat angles P-C4'-P energy: -94.476 tors. eta vs tors. theta energy: -185.596 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: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2100.770529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.770529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.770529 (E_RNA) where: Base-Base interactions energy: -1402.665 where: short stacking energy: -631.087 Base-Backbone interact. energy: 2.420 local terms energy: -700.525679 where: bonds (distance) C4'-P energy: -121.289 bonds (distance) P-C4' energy: -149.701 flat angles C4'-P-C4' energy: -160.588 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -173.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2048.059378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.059378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.059378 (E_RNA) where: Base-Base interactions energy: -1373.029 where: short stacking energy: -598.894 Base-Backbone interact. energy: 1.759 local terms energy: -676.789411 where: bonds (distance) C4'-P energy: -122.340 bonds (distance) P-C4' energy: -145.591 flat angles C4'-P-C4' energy: -141.314 flat angles P-C4'-P energy: -97.810 tors. eta vs tors. theta energy: -169.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1641.009736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.009736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.009736 (E_RNA) where: Base-Base interactions energy: -1085.736 where: short stacking energy: -490.429 Base-Backbone interact. energy: -2.413 local terms energy: -552.860449 where: bonds (distance) C4'-P energy: -106.147 bonds (distance) P-C4' energy: -134.616 flat angles C4'-P-C4' energy: -133.253 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -99.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1502.282577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.282577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.282577 (E_RNA) where: Base-Base interactions energy: -944.549 where: short stacking energy: -451.216 Base-Backbone interact. energy: -0.297 local terms energy: -557.436544 where: bonds (distance) C4'-P energy: -101.875 bonds (distance) P-C4' energy: -126.470 flat angles C4'-P-C4' energy: -134.751 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -95.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1032.294565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.294565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.294565 (E_RNA) where: Base-Base interactions energy: -568.702 where: short stacking energy: -287.442 Base-Backbone interact. energy: -0.792 local terms energy: -462.800027 where: bonds (distance) C4'-P energy: -133.995 bonds (distance) P-C4' energy: -119.686 flat angles C4'-P-C4' energy: -103.170 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -30.167 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: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -850.647483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.647483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.647483 (E_RNA) where: Base-Base interactions energy: -482.202 where: short stacking energy: -262.665 Base-Backbone interact. energy: 4.667 local terms energy: -373.113292 where: bonds (distance) C4'-P energy: -111.245 bonds (distance) P-C4' energy: -110.476 flat angles C4'-P-C4' energy: -80.543 flat angles P-C4'-P energy: -67.726 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: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2668.898183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.898183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.898183 (E_RNA) where: Base-Base interactions energy: -1856.319 where: short stacking energy: -763.945 Base-Backbone interact. energy: -2.195 local terms energy: -810.384199 where: bonds (distance) C4'-P energy: -150.086 bonds (distance) P-C4' energy: -143.364 flat angles C4'-P-C4' energy: -178.770 flat angles P-C4'-P energy: -124.992 tors. eta vs tors. theta energy: -213.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2534.516097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.516097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.516097 (E_RNA) where: Base-Base interactions energy: -1727.472 where: short stacking energy: -731.613 Base-Backbone interact. energy: -1.669 local terms energy: -805.374880 where: bonds (distance) C4'-P energy: -156.111 bonds (distance) P-C4' energy: -172.433 flat angles C4'-P-C4' energy: -172.760 flat angles P-C4'-P energy: -99.465 tors. eta vs tors. theta energy: -204.606 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: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2381.536486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.536486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.536486 (E_RNA) where: Base-Base interactions energy: -1632.282 where: short stacking energy: -699.266 Base-Backbone interact. energy: -2.353 local terms energy: -746.901802 where: bonds (distance) C4'-P energy: -140.680 bonds (distance) P-C4' energy: -131.911 flat angles C4'-P-C4' energy: -167.676 flat angles P-C4'-P energy: -112.150 tors. eta vs tors. theta energy: -194.485 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: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2285.961239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.961239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.961239 (E_RNA) where: Base-Base interactions energy: -1549.926 where: short stacking energy: -655.920 Base-Backbone interact. energy: -4.018 local terms energy: -732.017206 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -153.646 flat angles P-C4'-P energy: -106.475 tors. eta vs tors. theta energy: -178.448 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: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2097.936319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.936319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.936319 (E_RNA) where: Base-Base interactions energy: -1378.615 where: short stacking energy: -629.654 Base-Backbone interact. energy: -2.728 local terms energy: -716.593099 where: bonds (distance) C4'-P energy: -126.819 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -157.675 flat angles P-C4'-P energy: -110.370 tors. eta vs tors. theta energy: -174.900 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1960.955437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.955437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.955437 (E_RNA) where: Base-Base interactions energy: -1341.871 where: short stacking energy: -600.469 Base-Backbone interact. energy: -0.617 local terms energy: -618.467434 where: bonds (distance) C4'-P energy: -122.475 bonds (distance) P-C4' energy: -137.468 flat angles C4'-P-C4' energy: -145.382 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -140.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1678.874406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.874406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.874406 (E_RNA) where: Base-Base interactions energy: -1088.490 where: short stacking energy: -486.455 Base-Backbone interact. energy: -0.961 local terms energy: -589.423057 where: bonds (distance) C4'-P energy: -129.019 bonds (distance) P-C4' energy: -138.923 flat angles C4'-P-C4' energy: -132.963 flat angles P-C4'-P energy: -74.865 tors. eta vs tors. theta energy: -113.652 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: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1440.318483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.318483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.318483 (E_RNA) where: Base-Base interactions energy: -881.876 where: short stacking energy: -416.651 Base-Backbone interact. energy: -1.490 local terms energy: -556.952966 where: bonds (distance) C4'-P energy: -119.606 bonds (distance) P-C4' energy: -135.914 flat angles C4'-P-C4' energy: -128.078 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -84.002 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: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1026.343071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.343071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.343071 (E_RNA) where: Base-Base interactions energy: -593.049 where: short stacking energy: -313.708 Base-Backbone interact. energy: -1.436 local terms energy: -431.857886 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -127.133 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: -17.916 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -850.069068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.069068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.069068 (E_RNA) where: Base-Base interactions energy: -405.826 where: short stacking energy: -246.108 Base-Backbone interact. energy: -1.016 local terms energy: -443.227124 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -146.788 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -7.283 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: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2686.733275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.733275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.733275 (E_RNA) where: Base-Base interactions energy: -1861.478 where: short stacking energy: -767.964 Base-Backbone interact. energy: -8.251 local terms energy: -817.004604 where: bonds (distance) C4'-P energy: -146.966 bonds (distance) P-C4' energy: -165.148 flat angles C4'-P-C4' energy: -185.365 flat angles P-C4'-P energy: -104.688 tors. eta vs tors. theta energy: -214.838 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: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2559.904037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.904037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.904037 (E_RNA) where: Base-Base interactions energy: -1769.816 where: short stacking energy: -703.699 Base-Backbone interact. energy: -7.172 local terms energy: -782.916541 where: bonds (distance) C4'-P energy: -138.714 bonds (distance) P-C4' energy: -154.883 flat angles C4'-P-C4' energy: -176.716 flat angles P-C4'-P energy: -110.732 tors. eta vs tors. theta energy: -201.873 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: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2430.910861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.910861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.910861 (E_RNA) where: Base-Base interactions energy: -1669.800 where: short stacking energy: -749.194 Base-Backbone interact. energy: -4.387 local terms energy: -756.723736 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -141.262 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -218.505 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: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2289.048111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.048111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.048111 (E_RNA) where: Base-Base interactions energy: -1536.788 where: short stacking energy: -676.078 Base-Backbone interact. energy: -1.059 local terms energy: -751.200391 where: bonds (distance) C4'-P energy: -135.263 bonds (distance) P-C4' energy: -153.956 flat angles C4'-P-C4' energy: -163.956 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -196.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2045.010703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.010703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.010703 (E_RNA) where: Base-Base interactions energy: -1376.107 where: short stacking energy: -588.752 Base-Backbone interact. energy: -0.450 local terms energy: -668.453389 where: bonds (distance) C4'-P energy: -124.243 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -141.110 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: -159.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2029.228565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.228565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.228565 (E_RNA) where: Base-Base interactions energy: -1371.872 where: short stacking energy: -595.203 Base-Backbone interact. energy: 1.116 local terms energy: -658.472512 where: bonds (distance) C4'-P energy: -144.964 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -138.181 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -162.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1698.149530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.149530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.149530 (E_RNA) where: Base-Base interactions energy: -1110.378 where: short stacking energy: -494.133 Base-Backbone interact. energy: 2.320 local terms energy: -590.091032 where: bonds (distance) C4'-P energy: -151.007 bonds (distance) P-C4' energy: -134.388 flat angles C4'-P-C4' energy: -134.186 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: -109.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1441.555741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.555741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.555741 (E_RNA) where: Base-Base interactions energy: -885.941 where: short stacking energy: -413.116 Base-Backbone interact. energy: -2.082 local terms energy: -553.532033 where: bonds (distance) C4'-P energy: -143.458 bonds (distance) P-C4' energy: -129.180 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -67.218 tors. eta vs tors. theta energy: -71.925 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: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1098.047183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.047183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.047183 (E_RNA) where: Base-Base interactions energy: -646.655 where: short stacking energy: -320.184 Base-Backbone interact. energy: 0.619 local terms energy: -452.011022 where: bonds (distance) C4'-P energy: -124.056 bonds (distance) P-C4' energy: -114.017 flat angles C4'-P-C4' energy: -118.563 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -36.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -874.549265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.549265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.549265 (E_RNA) where: Base-Base interactions energy: -475.703 where: short stacking energy: -256.735 Base-Backbone interact. energy: 3.093 local terms energy: -401.939380 where: bonds (distance) C4'-P energy: -119.439 bonds (distance) P-C4' energy: -118.201 flat angles C4'-P-C4' energy: -112.861 flat angles P-C4'-P energy: -59.463 tors. eta vs tors. theta energy: 8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2684.716197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.716197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.716197 (E_RNA) where: Base-Base interactions energy: -1861.814 where: short stacking energy: -743.612 Base-Backbone interact. energy: -6.059 local terms energy: -816.842662 where: bonds (distance) C4'-P energy: -168.095 bonds (distance) P-C4' energy: -162.145 flat angles C4'-P-C4' energy: -168.530 flat angles P-C4'-P energy: -114.508 tors. eta vs tors. theta energy: -203.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2570.621789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.621789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.621789 (E_RNA) where: Base-Base interactions energy: -1791.075 where: short stacking energy: -720.064 Base-Backbone interact. energy: 0.191 local terms energy: -779.737334 where: bonds (distance) C4'-P energy: -136.089 bonds (distance) P-C4' energy: -149.130 flat angles C4'-P-C4' energy: -174.970 flat angles P-C4'-P energy: -120.127 tors. eta vs tors. theta energy: -199.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2442.772304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.772304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.772304 (E_RNA) where: Base-Base interactions energy: -1653.555 where: short stacking energy: -711.313 Base-Backbone interact. energy: -0.053 local terms energy: -789.164396 where: bonds (distance) C4'-P energy: -160.641 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -165.984 flat angles P-C4'-P energy: -98.292 tors. eta vs tors. theta energy: -215.612 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: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2277.827929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.827929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.827929 (E_RNA) where: Base-Base interactions energy: -1545.228 where: short stacking energy: -663.281 Base-Backbone interact. energy: -0.296 local terms energy: -732.303576 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -154.361 flat angles C4'-P-C4' energy: -162.333 flat angles P-C4'-P energy: -87.669 tors. eta vs tors. theta energy: -186.233 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: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2108.923855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.923855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.923855 (E_RNA) where: Base-Base interactions energy: -1416.619 where: short stacking energy: -599.054 Base-Backbone interact. energy: -0.776 local terms energy: -691.529073 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -150.682 flat angles C4'-P-C4' energy: -148.215 flat angles P-C4'-P energy: -99.598 tors. eta vs tors. theta energy: -167.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2044.271415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.271415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.271415 (E_RNA) where: Base-Base interactions energy: -1373.382 where: short stacking energy: -610.716 Base-Backbone interact. energy: -2.765 local terms energy: -668.124425 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -111.699 flat angles C4'-P-C4' energy: -163.150 flat angles P-C4'-P energy: -94.190 tors. eta vs tors. theta energy: -165.022 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1739.425196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.425196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.425196 (E_RNA) where: Base-Base interactions energy: -1130.854 where: short stacking energy: -494.509 Base-Backbone interact. energy: 1.467 local terms energy: -610.038077 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -139.767 flat angles C4'-P-C4' energy: -129.694 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: -125.009 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: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1358.548977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.548977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.548977 (E_RNA) where: Base-Base interactions energy: -832.984 where: short stacking energy: -386.682 Base-Backbone interact. energy: -1.092 local terms energy: -524.473198 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -150.121 flat angles C4'-P-C4' energy: -117.964 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -62.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1175.963358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.963358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.963358 (E_RNA) where: Base-Base interactions energy: -713.975 where: short stacking energy: -345.341 Base-Backbone interact. energy: 1.913 local terms energy: -463.901732 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -125.792 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: -42.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -901.042324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.042324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.042324 (E_RNA) where: Base-Base interactions energy: -479.933 where: short stacking energy: -289.975 Base-Backbone interact. energy: -0.996 local terms energy: -420.113678 where: bonds (distance) C4'-P energy: -102.332 bonds (distance) P-C4' energy: -130.801 flat angles C4'-P-C4' energy: -125.565 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -11.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2650.203092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.203092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.203092 (E_RNA) where: Base-Base interactions energy: -1870.664 where: short stacking energy: -741.631 Base-Backbone interact. energy: -4.921 local terms energy: -774.618500 where: bonds (distance) C4'-P energy: -152.076 bonds (distance) P-C4' energy: -147.539 flat angles C4'-P-C4' energy: -169.099 flat angles P-C4'-P energy: -104.263 tors. eta vs tors. theta energy: -201.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2557.843359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.843359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.843359 (E_RNA) where: Base-Base interactions energy: -1767.879 where: short stacking energy: -742.766 Base-Backbone interact. energy: -6.285 local terms energy: -783.679422 where: bonds (distance) C4'-P energy: -144.570 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -169.312 flat angles P-C4'-P energy: -116.597 tors. eta vs tors. theta energy: -199.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2397.691687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.691687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.691687 (E_RNA) where: Base-Base interactions energy: -1629.064 where: short stacking energy: -678.699 Base-Backbone interact. energy: -2.205 local terms energy: -766.422597 where: bonds (distance) C4'-P energy: -136.462 bonds (distance) P-C4' energy: -156.440 flat angles C4'-P-C4' energy: -173.105 flat angles P-C4'-P energy: -94.653 tors. eta vs tors. theta energy: -205.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2271.251008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.251008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.251008 (E_RNA) where: Base-Base interactions energy: -1560.698 where: short stacking energy: -686.251 Base-Backbone interact. energy: -1.763 local terms energy: -708.790215 where: bonds (distance) C4'-P energy: -132.115 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -149.807 flat angles P-C4'-P energy: -110.679 tors. eta vs tors. theta energy: -178.463 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: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2095.982043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.982043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.982043 (E_RNA) where: Base-Base interactions energy: -1420.174 where: short stacking energy: -646.478 Base-Backbone interact. energy: 4.131 local terms energy: -679.939094 where: bonds (distance) C4'-P energy: -134.243 bonds (distance) P-C4' energy: -141.734 flat angles C4'-P-C4' energy: -143.296 flat angles P-C4'-P energy: -89.975 tors. eta vs tors. theta energy: -170.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2017.839007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.839007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.839007 (E_RNA) where: Base-Base interactions energy: -1344.984 where: short stacking energy: -591.101 Base-Backbone interact. energy: -3.391 local terms energy: -669.464477 where: bonds (distance) C4'-P energy: -129.283 bonds (distance) P-C4' energy: -128.986 flat angles C4'-P-C4' energy: -148.999 flat angles P-C4'-P energy: -93.290 tors. eta vs tors. theta energy: -168.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1718.120595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.120595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.120595 (E_RNA) where: Base-Base interactions energy: -1120.508 where: short stacking energy: -473.717 Base-Backbone interact. energy: -2.399 local terms energy: -595.213483 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -153.639 flat angles P-C4'-P energy: -81.141 tors. eta vs tors. theta energy: -102.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1406.077145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.077145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.077145 (E_RNA) where: Base-Base interactions energy: -874.168 where: short stacking energy: -416.498 Base-Backbone interact. energy: 2.682 local terms energy: -534.590318 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -120.291 flat angles P-C4'-P energy: -83.291 tors. eta vs tors. theta energy: -80.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1080.957380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.957380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.957380 (E_RNA) where: Base-Base interactions energy: -643.804 where: short stacking energy: -311.466 Base-Backbone interact. energy: 2.944 local terms energy: -440.097298 where: bonds (distance) C4'-P energy: -111.101 bonds (distance) P-C4' energy: -124.112 flat angles C4'-P-C4' energy: -101.635 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -29.583 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: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -813.037835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.037835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.037835 (E_RNA) where: Base-Base interactions energy: -404.770 where: short stacking energy: -238.026 Base-Backbone interact. energy: -2.227 local terms energy: -406.040342 where: bonds (distance) C4'-P energy: -114.916 bonds (distance) P-C4' energy: -129.702 flat angles C4'-P-C4' energy: -117.540 flat angles P-C4'-P energy: -52.578 tors. eta vs tors. theta energy: 8.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2637.647007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.647007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.647007 (E_RNA) where: Base-Base interactions energy: -1886.549 where: short stacking energy: -751.453 Base-Backbone interact. energy: -0.876 local terms energy: -750.222059 where: bonds (distance) C4'-P energy: -140.437 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -168.578 flat angles P-C4'-P energy: -98.006 tors. eta vs tors. theta energy: -196.618 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: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2545.551438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.551438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.551438 (E_RNA) where: Base-Base interactions energy: -1787.230 where: short stacking energy: -731.981 Base-Backbone interact. energy: -0.923 local terms energy: -757.398815 where: bonds (distance) C4'-P energy: -141.464 bonds (distance) P-C4' energy: -148.742 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -209.193 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2430.192734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.192734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.192734 (E_RNA) where: Base-Base interactions energy: -1653.842 where: short stacking energy: -708.513 Base-Backbone interact. energy: -5.149 local terms energy: -771.202246 where: bonds (distance) C4'-P energy: -138.993 bonds (distance) P-C4' energy: -145.823 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -118.657 tors. eta vs tors. theta energy: -202.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2290.185672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.185672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.185672 (E_RNA) where: Base-Base interactions energy: -1545.690 where: short stacking energy: -663.086 Base-Backbone interact. energy: -4.041 local terms energy: -740.454379 where: bonds (distance) C4'-P energy: -144.016 bonds (distance) P-C4' energy: -143.555 flat angles C4'-P-C4' energy: -156.497 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -189.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2098.597836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.597836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.597836 (E_RNA) where: Base-Base interactions energy: -1406.224 where: short stacking energy: -603.646 Base-Backbone interact. energy: 2.944 local terms energy: -695.318002 where: bonds (distance) C4'-P energy: -127.183 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -144.748 flat angles P-C4'-P energy: -103.101 tors. eta vs tors. theta energy: -178.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2038.369428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.369428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.369428 (E_RNA) where: Base-Base interactions energy: -1384.209 where: short stacking energy: -587.414 Base-Backbone interact. energy: -2.405 local terms energy: -651.755834 where: bonds (distance) C4'-P energy: -135.628 bonds (distance) P-C4' energy: -128.222 flat angles C4'-P-C4' energy: -154.734 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -156.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1775.042083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.042083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.042083 (E_RNA) where: Base-Base interactions energy: -1181.692 where: short stacking energy: -523.322 Base-Backbone interact. energy: -1.731 local terms energy: -591.618490 where: bonds (distance) C4'-P energy: -129.681 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -137.455 flat angles P-C4'-P energy: -93.832 tors. eta vs tors. theta energy: -112.286 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: 166 Temperature: 1.250000 Total energy: -1456.523788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.523788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.523788 (E_RNA) where: Base-Base interactions energy: -928.420 where: short stacking energy: -453.298 Base-Backbone interact. energy: -1.291 local terms energy: -526.812678 where: bonds (distance) C4'-P energy: -128.845 bonds (distance) P-C4' energy: -119.674 flat angles C4'-P-C4' energy: -108.914 flat angles P-C4'-P energy: -86.162 tors. eta vs tors. theta energy: -83.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1066.969270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.969270 (E_RNA) where: Base-Base interactions energy: -640.022 where: short stacking energy: -291.327 Base-Backbone interact. energy: -3.400 local terms energy: -423.547351 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -98.288 flat angles P-C4'-P energy: -69.665 tors. eta vs tors. theta energy: -10.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -801.766293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.766293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.766293 (E_RNA) where: Base-Base interactions energy: -405.124 where: short stacking energy: -236.468 Base-Backbone interact. energy: 5.771 local terms energy: -402.413559 where: bonds (distance) C4'-P energy: -103.108 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -119.473 flat angles P-C4'-P energy: -65.788 tors. eta vs tors. theta energy: 6.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2663.642658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.642658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.642658 (E_RNA) where: Base-Base interactions energy: -1852.567 where: short stacking energy: -754.500 Base-Backbone interact. energy: 2.431 local terms energy: -813.506255 where: bonds (distance) C4'-P energy: -162.972 bonds (distance) P-C4' energy: -156.048 flat angles C4'-P-C4' energy: -180.217 flat angles P-C4'-P energy: -108.690 tors. eta vs tors. theta energy: -205.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2532.599317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.599317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.599317 (E_RNA) where: Base-Base interactions energy: -1746.022 where: short stacking energy: -722.786 Base-Backbone interact. energy: -6.704 local terms energy: -779.873375 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -146.556 flat angles C4'-P-C4' energy: -184.759 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -198.462 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: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2386.506477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.506477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.506477 (E_RNA) where: Base-Base interactions energy: -1607.097 where: short stacking energy: -710.278 Base-Backbone interact. energy: -2.455 local terms energy: -776.954386 where: bonds (distance) C4'-P energy: -135.645 bonds (distance) P-C4' energy: -160.037 flat angles C4'-P-C4' energy: -167.620 flat angles P-C4'-P energy: -118.473 tors. eta vs tors. theta energy: -195.179 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: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2330.129476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.129476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.129476 (E_RNA) where: Base-Base interactions energy: -1607.183 where: short stacking energy: -667.980 Base-Backbone interact. energy: -3.534 local terms energy: -719.412182 where: bonds (distance) C4'-P energy: -146.823 bonds (distance) P-C4' energy: -140.302 flat angles C4'-P-C4' energy: -154.796 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -185.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2132.802830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.802830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.802830 (E_RNA) where: Base-Base interactions energy: -1453.614 where: short stacking energy: -621.527 Base-Backbone interact. energy: 1.124 local terms energy: -680.312492 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -154.568 flat angles P-C4'-P energy: -88.336 tors. eta vs tors. theta energy: -180.163 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: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1998.173260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.173260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.173260 (E_RNA) where: Base-Base interactions energy: -1347.743 where: short stacking energy: -587.290 Base-Backbone interact. energy: -2.649 local terms energy: -647.781754 where: bonds (distance) C4'-P energy: -124.003 bonds (distance) P-C4' energy: -133.812 flat angles C4'-P-C4' energy: -143.924 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -142.334 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: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1791.901176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.901176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.901176 (E_RNA) where: Base-Base interactions energy: -1200.695 where: short stacking energy: -499.639 Base-Backbone interact. energy: -3.455 local terms energy: -587.751527 where: bonds (distance) C4'-P energy: -118.139 bonds (distance) P-C4' energy: -134.661 flat angles C4'-P-C4' energy: -133.189 flat angles P-C4'-P energy: -88.853 tors. eta vs tors. theta energy: -112.910 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: 167 Temperature: 1.250000 Total energy: -1422.392927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.392927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.392927 (E_RNA) where: Base-Base interactions energy: -898.659 where: short stacking energy: -415.514 Base-Backbone interact. energy: -3.511 local terms energy: -520.222977 where: bonds (distance) C4'-P energy: -107.458 bonds (distance) P-C4' energy: -141.851 flat angles C4'-P-C4' energy: -122.397 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -63.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1076.547419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.547419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.547419 (E_RNA) where: Base-Base interactions energy: -569.415 where: short stacking energy: -312.232 Base-Backbone interact. energy: -4.259 local terms energy: -502.873154 where: bonds (distance) C4'-P energy: -139.133 bonds (distance) P-C4' energy: -139.632 flat angles C4'-P-C4' energy: -125.537 flat angles P-C4'-P energy: -67.664 tors. eta vs tors. theta energy: -30.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -791.036044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.036044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.036044 (E_RNA) where: Base-Base interactions energy: -400.780 where: short stacking energy: -197.385 Base-Backbone interact. energy: -1.283 local terms energy: -388.973544 where: bonds (distance) C4'-P energy: -109.248 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -96.021 flat angles P-C4'-P energy: -55.917 tors. eta vs tors. theta energy: 11.783 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: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2653.689876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.689876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.689876 (E_RNA) where: Base-Base interactions energy: -1852.916 where: short stacking energy: -767.202 Base-Backbone interact. energy: -0.696 local terms energy: -800.077649 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -167.171 flat angles C4'-P-C4' energy: -160.868 flat angles P-C4'-P energy: -111.113 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: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2511.790269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.790269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.790269 (E_RNA) where: Base-Base interactions energy: -1727.805 where: short stacking energy: -715.061 Base-Backbone interact. energy: -7.548 local terms energy: -776.437882 where: bonds (distance) C4'-P energy: -157.095 bonds (distance) P-C4' energy: -156.944 flat angles C4'-P-C4' energy: -170.873 flat angles P-C4'-P energy: -104.605 tors. eta vs tors. theta energy: -186.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2348.957615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.957615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.957615 (E_RNA) where: Base-Base interactions energy: -1573.493 where: short stacking energy: -721.953 Base-Backbone interact. energy: -2.761 local terms energy: -772.704223 where: bonds (distance) C4'-P energy: -144.692 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -165.814 flat angles P-C4'-P energy: -103.673 tors. eta vs tors. theta energy: -211.322 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: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2324.270903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.270903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.270903 (E_RNA) where: Base-Base interactions energy: -1605.876 where: short stacking energy: -669.786 Base-Backbone interact. energy: -2.440 local terms energy: -715.954894 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -141.858 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -106.941 tors. eta vs tors. theta energy: -194.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2090.629996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.629996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.629996 (E_RNA) where: Base-Base interactions energy: -1380.339 where: short stacking energy: -635.685 Base-Backbone interact. energy: -0.697 local terms energy: -709.593666 where: bonds (distance) C4'-P energy: -119.685 bonds (distance) P-C4' energy: -146.862 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -96.323 tors. eta vs tors. theta energy: -182.478 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: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1991.862797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.862797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.862797 (E_RNA) where: Base-Base interactions energy: -1332.800 where: short stacking energy: -594.108 Base-Backbone interact. energy: -2.034 local terms energy: -657.028915 where: bonds (distance) C4'-P energy: -125.364 bonds (distance) P-C4' energy: -131.177 flat angles C4'-P-C4' energy: -150.991 flat angles P-C4'-P energy: -104.690 tors. eta vs tors. theta energy: -144.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1800.177955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.177955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.177955 (E_RNA) where: Base-Base interactions energy: -1181.140 where: short stacking energy: -525.358 Base-Backbone interact. energy: -3.342 local terms energy: -615.696127 where: bonds (distance) C4'-P energy: -133.184 bonds (distance) P-C4' energy: -153.182 flat angles C4'-P-C4' energy: -128.773 flat angles P-C4'-P energy: -83.385 tors. eta vs tors. theta energy: -117.171 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: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1388.822453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.822453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.822453 (E_RNA) where: Base-Base interactions energy: -893.886 where: short stacking energy: -419.675 Base-Backbone interact. energy: 2.305 local terms energy: -497.242010 where: bonds (distance) C4'-P energy: -107.342 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -119.973 flat angles P-C4'-P energy: -88.605 tors. eta vs tors. theta energy: -63.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1034.379488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.379488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.379488 (E_RNA) where: Base-Base interactions energy: -584.878 where: short stacking energy: -277.862 Base-Backbone interact. energy: 6.653 local terms energy: -456.154773 where: bonds (distance) C4'-P energy: -115.880 bonds (distance) P-C4' energy: -122.202 flat angles C4'-P-C4' energy: -107.851 flat angles P-C4'-P energy: -83.017 tors. eta vs tors. theta energy: -27.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -848.203438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.203438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.203438 (E_RNA) where: Base-Base interactions energy: -426.547 where: short stacking energy: -247.325 Base-Backbone interact. energy: 7.202 local terms energy: -428.858712 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -122.083 flat angles P-C4'-P energy: -58.034 tors. eta vs tors. theta energy: -9.594 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: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2654.113566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.113566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.113566 (E_RNA) where: Base-Base interactions energy: -1842.918 where: short stacking energy: -742.486 Base-Backbone interact. energy: -5.187 local terms energy: -806.008432 where: bonds (distance) C4'-P energy: -155.084 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -176.912 flat angles P-C4'-P energy: -102.865 tors. eta vs tors. theta energy: -204.771 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: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2536.453288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.453288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.453288 (E_RNA) where: Base-Base interactions energy: -1742.646 where: short stacking energy: -709.254 Base-Backbone interact. energy: -6.272 local terms energy: -787.535003 where: bonds (distance) C4'-P energy: -160.365 bonds (distance) P-C4' energy: -155.058 flat angles C4'-P-C4' energy: -173.338 flat angles P-C4'-P energy: -89.640 tors. eta vs tors. theta energy: -209.135 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: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2364.763112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.763112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.763112 (E_RNA) where: Base-Base interactions energy: -1605.069 where: short stacking energy: -723.159 Base-Backbone interact. energy: 0.876 local terms energy: -760.569952 where: bonds (distance) C4'-P energy: -119.222 bonds (distance) P-C4' energy: -151.793 flat angles C4'-P-C4' energy: -163.356 flat angles P-C4'-P energy: -110.791 tors. eta vs tors. theta energy: -215.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2293.224160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.224160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.224160 (E_RNA) where: Base-Base interactions energy: -1567.091 where: short stacking energy: -676.210 Base-Backbone interact. energy: -2.667 local terms energy: -723.466055 where: bonds (distance) C4'-P energy: -149.237 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -99.857 tors. eta vs tors. theta energy: -188.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2151.225434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.225434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.225434 (E_RNA) where: Base-Base interactions energy: -1462.219 where: short stacking energy: -614.183 Base-Backbone interact. energy: -2.916 local terms energy: -686.089664 where: bonds (distance) C4'-P energy: -123.721 bonds (distance) P-C4' energy: -125.754 flat angles C4'-P-C4' energy: -151.329 flat angles P-C4'-P energy: -110.309 tors. eta vs tors. theta energy: -174.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2057.362697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.362697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.362697 (E_RNA) where: Base-Base interactions energy: -1359.227 where: short stacking energy: -628.839 Base-Backbone interact. energy: -1.652 local terms energy: -696.483258 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -126.881 flat angles C4'-P-C4' energy: -150.109 flat angles P-C4'-P energy: -102.101 tors. eta vs tors. theta energy: -177.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1737.112965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.112965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.112965 (E_RNA) where: Base-Base interactions energy: -1108.090 where: short stacking energy: -482.475 Base-Backbone interact. energy: -2.036 local terms energy: -626.987173 where: bonds (distance) C4'-P energy: -135.588 bonds (distance) P-C4' energy: -128.936 flat angles C4'-P-C4' energy: -150.150 flat angles P-C4'-P energy: -90.702 tors. eta vs tors. theta energy: -121.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1429.947011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.947011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.947011 (E_RNA) where: Base-Base interactions energy: -885.496 where: short stacking energy: -417.253 Base-Backbone interact. energy: 0.592 local terms energy: -545.042320 where: bonds (distance) C4'-P energy: -115.360 bonds (distance) P-C4' energy: -136.947 flat angles C4'-P-C4' energy: -120.638 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -94.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -998.560019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.560019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.560019 (E_RNA) where: Base-Base interactions energy: -541.692 where: short stacking energy: -291.515 Base-Backbone interact. energy: 1.708 local terms energy: -458.576080 where: bonds (distance) C4'-P energy: -112.659 bonds (distance) P-C4' energy: -134.772 flat angles C4'-P-C4' energy: -96.982 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -34.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -734.393786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.393786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.393786 (E_RNA) where: Base-Base interactions energy: -342.622 where: short stacking energy: -225.387 Base-Backbone interact. energy: 1.368 local terms energy: -393.139902 where: bonds (distance) C4'-P energy: -127.125 bonds (distance) P-C4' energy: -90.368 flat angles C4'-P-C4' energy: -102.169 flat angles P-C4'-P energy: -77.771 tors. eta vs tors. theta energy: 4.294 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: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2675.605365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.605365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.605365 (E_RNA) where: Base-Base interactions energy: -1864.922 where: short stacking energy: -777.688 Base-Backbone interact. energy: -1.066 local terms energy: -809.617461 where: bonds (distance) C4'-P energy: -149.274 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -174.272 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -218.210 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: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2498.549577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.549577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.549577 (E_RNA) where: Base-Base interactions energy: -1737.943 where: short stacking energy: -758.855 Base-Backbone interact. energy: -6.957 local terms energy: -753.649344 where: bonds (distance) C4'-P energy: -134.266 bonds (distance) P-C4' energy: -142.066 flat angles C4'-P-C4' energy: -175.085 flat angles P-C4'-P energy: -96.968 tors. eta vs tors. theta energy: -205.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2371.219286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.219286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.219286 (E_RNA) where: Base-Base interactions energy: -1613.440 where: short stacking energy: -699.500 Base-Backbone interact. energy: 1.424 local terms energy: -759.203073 where: bonds (distance) C4'-P energy: -147.670 bonds (distance) P-C4' energy: -146.485 flat angles C4'-P-C4' energy: -153.641 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -208.471 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: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2294.867444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.867444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.867444 (E_RNA) where: Base-Base interactions energy: -1559.221 where: short stacking energy: -667.315 Base-Backbone interact. energy: -4.489 local terms energy: -731.157893 where: bonds (distance) C4'-P energy: -134.889 bonds (distance) P-C4' energy: -133.444 flat angles C4'-P-C4' energy: -162.426 flat angles P-C4'-P energy: -109.863 tors. eta vs tors. theta energy: -190.535 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: 170 Temperature: 1.100000 Total energy: -2159.665814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.665814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.665814 (E_RNA) where: Base-Base interactions energy: -1429.837 where: short stacking energy: -619.323 Base-Backbone interact. energy: 0.926 local terms energy: -730.755060 where: bonds (distance) C4'-P energy: -136.344 bonds (distance) P-C4' energy: -147.414 flat angles C4'-P-C4' energy: -165.014 flat angles P-C4'-P energy: -101.099 tors. eta vs tors. theta energy: -180.884 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: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2038.125817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.125817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.125817 (E_RNA) where: Base-Base interactions energy: -1384.506 where: short stacking energy: -623.737 Base-Backbone interact. energy: 7.619 local terms energy: -661.238612 where: bonds (distance) C4'-P energy: -148.828 bonds (distance) P-C4' energy: -131.874 flat angles C4'-P-C4' energy: -142.592 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: -168.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1712.174106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.174106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.174106 (E_RNA) where: Base-Base interactions energy: -1117.216 where: short stacking energy: -520.659 Base-Backbone interact. energy: 1.768 local terms energy: -596.725485 where: bonds (distance) C4'-P energy: -119.449 bonds (distance) P-C4' energy: -127.108 flat angles C4'-P-C4' energy: -143.571 flat angles P-C4'-P energy: -91.474 tors. eta vs tors. theta energy: -115.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1418.932515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.932515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.932515 (E_RNA) where: Base-Base interactions energy: -872.054 where: short stacking energy: -407.842 Base-Backbone interact. energy: 0.211 local terms energy: -547.090279 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -135.886 flat angles C4'-P-C4' energy: -130.718 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -77.510 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: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1030.634818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.634818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.634818 (E_RNA) where: Base-Base interactions energy: -585.487 where: short stacking energy: -271.289 Base-Backbone interact. energy: -0.968 local terms energy: -444.180043 where: bonds (distance) C4'-P energy: -144.089 bonds (distance) P-C4' energy: -99.434 flat angles C4'-P-C4' energy: -135.069 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: 0.992 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: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -782.954646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.954646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.954646 (E_RNA) where: Base-Base interactions energy: -417.752 where: short stacking energy: -227.200 Base-Backbone interact. energy: 0.535 local terms energy: -365.737145 where: bonds (distance) C4'-P energy: -121.780 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -91.491 flat angles P-C4'-P energy: -50.727 tors. eta vs tors. theta energy: 3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2737.360240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.360240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.360240 (E_RNA) where: Base-Base interactions energy: -1911.361 where: short stacking energy: -761.387 Base-Backbone interact. energy: -2.726 local terms energy: -823.273358 where: bonds (distance) C4'-P energy: -150.819 bonds (distance) P-C4' energy: -161.899 flat angles C4'-P-C4' energy: -177.869 flat angles P-C4'-P energy: -120.823 tors. eta vs tors. theta energy: -211.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2493.650553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.650553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.650553 (E_RNA) where: Base-Base interactions energy: -1728.970 where: short stacking energy: -731.348 Base-Backbone interact. energy: -5.788 local terms energy: -758.892513 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -171.301 flat angles P-C4'-P energy: -108.598 tors. eta vs tors. theta energy: -198.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2369.743640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.743640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.743640 (E_RNA) where: Base-Base interactions energy: -1612.962 where: short stacking energy: -724.584 Base-Backbone interact. energy: -4.104 local terms energy: -752.678369 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -137.069 flat angles C4'-P-C4' energy: -174.725 flat angles P-C4'-P energy: -112.671 tors. eta vs tors. theta energy: -197.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2264.171535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.171535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.171535 (E_RNA) where: Base-Base interactions energy: -1560.960 where: short stacking energy: -643.269 Base-Backbone interact. energy: -1.066 local terms energy: -702.145442 where: bonds (distance) C4'-P energy: -127.970 bonds (distance) P-C4' energy: -146.019 flat angles C4'-P-C4' energy: -149.509 flat angles P-C4'-P energy: -98.430 tors. eta vs tors. theta energy: -180.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2170.167614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.167614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.167614 (E_RNA) where: Base-Base interactions energy: -1408.091 where: short stacking energy: -640.013 Base-Backbone interact. energy: -1.867 local terms energy: -760.209258 where: bonds (distance) C4'-P energy: -137.570 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -164.765 flat angles P-C4'-P energy: -103.461 tors. eta vs tors. theta energy: -207.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1990.930404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.930404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.930404 (E_RNA) where: Base-Base interactions energy: -1303.753 where: short stacking energy: -572.545 Base-Backbone interact. energy: -1.613 local terms energy: -685.564296 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -140.684 flat angles C4'-P-C4' energy: -146.509 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -168.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1765.034433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.034433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.034433 (E_RNA) where: Base-Base interactions energy: -1176.380 where: short stacking energy: -518.833 Base-Backbone interact. energy: -1.887 local terms energy: -586.766903 where: bonds (distance) C4'-P energy: -132.984 bonds (distance) P-C4' energy: -118.641 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -80.481 tors. eta vs tors. theta energy: -119.368 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1367.971470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.971470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.971470 (E_RNA) where: Base-Base interactions energy: -868.497 where: short stacking energy: -407.269 Base-Backbone interact. energy: 3.418 local terms energy: -502.892368 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -124.140 flat angles C4'-P-C4' energy: -122.553 flat angles P-C4'-P energy: -78.519 tors. eta vs tors. theta energy: -72.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1058.990832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.990832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.990832 (E_RNA) where: Base-Base interactions energy: -605.301 where: short stacking energy: -309.049 Base-Backbone interact. energy: -1.083 local terms energy: -452.607112 where: bonds (distance) C4'-P energy: -103.365 bonds (distance) P-C4' energy: -134.233 flat angles C4'-P-C4' energy: -109.782 flat angles P-C4'-P energy: -59.507 tors. eta vs tors. theta energy: -45.720 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: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -844.518309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.518309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.518309 (E_RNA) where: Base-Base interactions energy: -455.805 where: short stacking energy: -263.827 Base-Backbone interact. energy: 3.727 local terms energy: -392.440271 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -110.762 flat angles C4'-P-C4' energy: -117.642 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: 6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2730.295576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.295576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.295576 (E_RNA) where: Base-Base interactions energy: -1922.565 where: short stacking energy: -759.993 Base-Backbone interact. energy: -1.097 local terms energy: -806.633619 where: bonds (distance) C4'-P energy: -160.780 bonds (distance) P-C4' energy: -153.367 flat angles C4'-P-C4' energy: -173.156 flat angles P-C4'-P energy: -113.020 tors. eta vs tors. theta energy: -206.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2530.393663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.393663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.393663 (E_RNA) where: Base-Base interactions energy: -1750.489 where: short stacking energy: -719.095 Base-Backbone interact. energy: -0.006 local terms energy: -779.899412 where: bonds (distance) C4'-P energy: -149.567 bonds (distance) P-C4' energy: -147.465 flat angles C4'-P-C4' energy: -171.239 flat angles P-C4'-P energy: -110.420 tors. eta vs tors. theta energy: -201.208 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: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2404.877762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.877762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.877762 (E_RNA) where: Base-Base interactions energy: -1636.473 where: short stacking energy: -732.701 Base-Backbone interact. energy: -2.248 local terms energy: -766.156596 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -168.793 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -207.858 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: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2235.734787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.734787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.734787 (E_RNA) where: Base-Base interactions energy: -1539.960 where: short stacking energy: -655.572 Base-Backbone interact. energy: 0.647 local terms energy: -696.421809 where: bonds (distance) C4'-P energy: -134.597 bonds (distance) P-C4' energy: -141.754 flat angles C4'-P-C4' energy: -151.804 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -172.033 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: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2128.220198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.220198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.220198 (E_RNA) where: Base-Base interactions energy: -1418.698 where: short stacking energy: -620.462 Base-Backbone interact. energy: -2.113 local terms energy: -707.408492 where: bonds (distance) C4'-P energy: -138.830 bonds (distance) P-C4' energy: -124.711 flat angles C4'-P-C4' energy: -150.403 flat angles P-C4'-P energy: -106.161 tors. eta vs tors. theta energy: -187.304 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: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2071.078243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.078243 (E_RNA) where: Base-Base interactions energy: -1378.652 where: short stacking energy: -617.964 Base-Backbone interact. energy: -4.287 local terms energy: -688.138717 where: bonds (distance) C4'-P energy: -126.749 bonds (distance) P-C4' energy: -140.573 flat angles C4'-P-C4' energy: -149.244 flat angles P-C4'-P energy: -101.113 tors. eta vs tors. theta energy: -170.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1730.014846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.014846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.014846 (E_RNA) where: Base-Base interactions energy: -1154.852 where: short stacking energy: -511.337 Base-Backbone interact. energy: -3.688 local terms energy: -571.475377 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -129.618 flat angles P-C4'-P energy: -76.102 tors. eta vs tors. theta energy: -114.249 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1405.447736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.447736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.447736 (E_RNA) where: Base-Base interactions energy: -886.597 where: short stacking energy: -403.664 Base-Backbone interact. energy: -0.225 local terms energy: -518.625868 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -125.553 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -65.141 tors. eta vs tors. theta energy: -72.875 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1041.927820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.927820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.927820 (E_RNA) where: Base-Base interactions energy: -571.226 where: short stacking energy: -301.515 Base-Backbone interact. energy: 2.108 local terms energy: -472.809811 where: bonds (distance) C4'-P energy: -150.671 bonds (distance) P-C4' energy: -142.349 flat angles C4'-P-C4' energy: -98.087 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: -21.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -880.775017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.775017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.775017 (E_RNA) where: Base-Base interactions energy: -455.911 where: short stacking energy: -240.807 Base-Backbone interact. energy: 4.962 local terms energy: -429.826231 where: bonds (distance) C4'-P energy: -122.441 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -106.486 flat angles P-C4'-P energy: -64.580 tors. eta vs tors. theta energy: 5.716 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: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2686.843269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.843269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.843269 (E_RNA) where: Base-Base interactions energy: -1879.349 where: short stacking energy: -741.500 Base-Backbone interact. energy: -3.600 local terms energy: -803.894696 where: bonds (distance) C4'-P energy: -149.052 bonds (distance) P-C4' energy: -159.032 flat angles C4'-P-C4' energy: -170.477 flat angles P-C4'-P energy: -120.067 tors. eta vs tors. theta energy: -205.267 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: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2530.660947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.660947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.660947 (E_RNA) where: Base-Base interactions energy: -1746.711 where: short stacking energy: -753.701 Base-Backbone interact. energy: -3.455 local terms energy: -780.494983 where: bonds (distance) C4'-P energy: -151.574 bonds (distance) P-C4' energy: -148.154 flat angles C4'-P-C4' energy: -164.885 flat angles P-C4'-P energy: -109.807 tors. eta vs tors. theta energy: -206.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2422.657102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.657102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.657102 (E_RNA) where: Base-Base interactions energy: -1655.240 where: short stacking energy: -703.104 Base-Backbone interact. energy: -2.195 local terms energy: -765.221726 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -143.209 flat angles C4'-P-C4' energy: -168.258 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -197.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2277.845877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.845877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.845877 (E_RNA) where: Base-Base interactions energy: -1537.875 where: short stacking energy: -631.781 Base-Backbone interact. energy: -2.401 local terms energy: -737.570306 where: bonds (distance) C4'-P energy: -155.574 bonds (distance) P-C4' energy: -138.170 flat angles C4'-P-C4' energy: -162.141 flat angles P-C4'-P energy: -101.205 tors. eta vs tors. theta energy: -180.481 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: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2139.225475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.225475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.225475 (E_RNA) where: Base-Base interactions energy: -1433.098 where: short stacking energy: -601.005 Base-Backbone interact. energy: -1.427 local terms energy: -704.700166 where: bonds (distance) C4'-P energy: -127.220 bonds (distance) P-C4' energy: -130.017 flat angles C4'-P-C4' energy: -164.617 flat angles P-C4'-P energy: -102.641 tors. eta vs tors. theta energy: -180.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2004.514817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.514817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.514817 (E_RNA) where: Base-Base interactions energy: -1333.634 where: short stacking energy: -582.354 Base-Backbone interact. energy: 1.519 local terms energy: -672.398996 where: bonds (distance) C4'-P energy: -133.333 bonds (distance) P-C4' energy: -137.066 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -89.348 tors. eta vs tors. theta energy: -157.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1674.106477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.106477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.106477 (E_RNA) where: Base-Base interactions energy: -1101.512 where: short stacking energy: -488.812 Base-Backbone interact. energy: 0.736 local terms energy: -573.330352 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -116.464 flat angles C4'-P-C4' energy: -137.447 flat angles P-C4'-P energy: -86.106 tors. eta vs tors. theta energy: -101.281 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: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1331.570399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.570399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.570399 (E_RNA) where: Base-Base interactions energy: -821.360 where: short stacking energy: -379.187 Base-Backbone interact. energy: 0.269 local terms energy: -510.479477 where: bonds (distance) C4'-P energy: -123.015 bonds (distance) P-C4' energy: -118.784 flat angles C4'-P-C4' energy: -132.570 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: -56.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1012.068010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.068010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.068010 (E_RNA) where: Base-Base interactions energy: -553.433 where: short stacking energy: -251.508 Base-Backbone interact. energy: -0.884 local terms energy: -457.751185 where: bonds (distance) C4'-P energy: -131.267 bonds (distance) P-C4' energy: -135.324 flat angles C4'-P-C4' energy: -116.560 flat angles P-C4'-P energy: -50.099 tors. eta vs tors. theta energy: -24.502 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: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -844.837468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.837468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.837468 (E_RNA) where: Base-Base interactions energy: -409.549 where: short stacking energy: -216.209 Base-Backbone interact. energy: 1.864 local terms energy: -437.152507 where: bonds (distance) C4'-P energy: -109.716 bonds (distance) P-C4' energy: -128.651 flat angles C4'-P-C4' energy: -130.656 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: 6.120 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: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2670.550317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.550317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.550317 (E_RNA) where: Base-Base interactions energy: -1867.713 where: short stacking energy: -720.359 Base-Backbone interact. energy: -2.965 local terms energy: -799.872336 where: bonds (distance) C4'-P energy: -139.378 bonds (distance) P-C4' energy: -151.502 flat angles C4'-P-C4' energy: -178.791 flat angles P-C4'-P energy: -128.182 tors. eta vs tors. theta energy: -202.019 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: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2570.159730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.159730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.159730 (E_RNA) where: Base-Base interactions energy: -1800.088 where: short stacking energy: -740.946 Base-Backbone interact. energy: -8.038 local terms energy: -762.034307 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -141.550 flat angles C4'-P-C4' energy: -161.365 flat angles P-C4'-P energy: -107.375 tors. eta vs tors. theta energy: -204.578 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: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2436.210474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.210474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.210474 (E_RNA) where: Base-Base interactions energy: -1665.216 where: short stacking energy: -705.344 Base-Backbone interact. energy: 0.101 local terms energy: -771.095161 where: bonds (distance) C4'-P energy: -143.529 bonds (distance) P-C4' energy: -145.256 flat angles C4'-P-C4' energy: -169.445 flat angles P-C4'-P energy: -110.748 tors. eta vs tors. theta energy: -202.117 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2270.024169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.024169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.024169 (E_RNA) where: Base-Base interactions energy: -1547.084 where: short stacking energy: -670.829 Base-Backbone interact. energy: -2.273 local terms energy: -720.667666 where: bonds (distance) C4'-P energy: -139.072 bonds (distance) P-C4' energy: -145.820 flat angles C4'-P-C4' energy: -171.458 flat angles P-C4'-P energy: -84.688 tors. eta vs tors. theta energy: -179.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2190.083070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.083070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.083070 (E_RNA) where: Base-Base interactions energy: -1482.684 where: short stacking energy: -629.907 Base-Backbone interact. energy: -1.467 local terms energy: -705.931637 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -132.289 flat angles C4'-P-C4' energy: -159.018 flat angles P-C4'-P energy: -109.767 tors. eta vs tors. theta energy: -178.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2052.093528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.093528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.093528 (E_RNA) where: Base-Base interactions energy: -1370.098 where: short stacking energy: -567.691 Base-Backbone interact. energy: 0.532 local terms energy: -682.526843 where: bonds (distance) C4'-P energy: -132.946 bonds (distance) P-C4' energy: -141.552 flat angles C4'-P-C4' energy: -141.803 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -166.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1746.100480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.100480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.100480 (E_RNA) where: Base-Base interactions energy: -1125.639 where: short stacking energy: -501.752 Base-Backbone interact. energy: 1.855 local terms energy: -622.317050 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -147.573 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -71.436 tors. eta vs tors. theta energy: -119.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1326.176805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.176805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.176805 (E_RNA) where: Base-Base interactions energy: -810.162 where: short stacking energy: -399.081 Base-Backbone interact. energy: 2.136 local terms energy: -518.150124 where: bonds (distance) C4'-P energy: -110.054 bonds (distance) P-C4' energy: -121.204 flat angles C4'-P-C4' energy: -129.695 flat angles P-C4'-P energy: -87.757 tors. eta vs tors. theta energy: -69.440 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: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1028.307252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.307252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.307252 (E_RNA) where: Base-Base interactions energy: -561.799 where: short stacking energy: -281.827 Base-Backbone interact. energy: 0.182 local terms energy: -466.690390 where: bonds (distance) C4'-P energy: -119.186 bonds (distance) P-C4' energy: -142.692 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -18.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -813.613929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.613929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.613929 (E_RNA) where: Base-Base interactions energy: -427.899 where: short stacking energy: -235.447 Base-Backbone interact. energy: 0.777 local terms energy: -386.491664 where: bonds (distance) C4'-P energy: -104.544 bonds (distance) P-C4' energy: -118.506 flat angles C4'-P-C4' energy: -118.243 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: 21.218 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: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2671.002500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.002500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.002500 (E_RNA) where: Base-Base interactions energy: -1864.399 where: short stacking energy: -748.816 Base-Backbone interact. energy: -5.719 local terms energy: -800.884760 where: bonds (distance) C4'-P energy: -158.821 bonds (distance) P-C4' energy: -150.775 flat angles C4'-P-C4' energy: -173.190 flat angles P-C4'-P energy: -110.520 tors. eta vs tors. theta energy: -207.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2539.536570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.536570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.536570 (E_RNA) where: Base-Base interactions energy: -1774.716 where: short stacking energy: -747.783 Base-Backbone interact. energy: -2.394 local terms energy: -762.426135 where: bonds (distance) C4'-P energy: -114.889 bonds (distance) P-C4' energy: -160.024 flat angles C4'-P-C4' energy: -166.788 flat angles P-C4'-P energy: -118.636 tors. eta vs tors. theta energy: -202.089 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: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2398.421319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.421319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.421319 (E_RNA) where: Base-Base interactions energy: -1629.573 where: short stacking energy: -717.152 Base-Backbone interact. energy: 0.145 local terms energy: -768.993482 where: bonds (distance) C4'-P energy: -143.027 bonds (distance) P-C4' energy: -152.152 flat angles C4'-P-C4' energy: -155.027 flat angles P-C4'-P energy: -110.323 tors. eta vs tors. theta energy: -208.465 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: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2284.699554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.699554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.699554 (E_RNA) where: Base-Base interactions energy: -1565.009 where: short stacking energy: -693.096 Base-Backbone interact. energy: -4.688 local terms energy: -715.002263 where: bonds (distance) C4'-P energy: -134.804 bonds (distance) P-C4' energy: -140.944 flat angles C4'-P-C4' energy: -155.170 flat angles P-C4'-P energy: -98.170 tors. eta vs tors. theta energy: -185.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2175.586434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.586434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.586434 (E_RNA) where: Base-Base interactions energy: -1504.455 where: short stacking energy: -663.054 Base-Backbone interact. energy: 0.020 local terms energy: -671.151440 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -134.876 flat angles C4'-P-C4' energy: -148.319 flat angles P-C4'-P energy: -92.830 tors. eta vs tors. theta energy: -172.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2037.563837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.563837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.563837 (E_RNA) where: Base-Base interactions energy: -1364.448 where: short stacking energy: -609.099 Base-Backbone interact. energy: -1.661 local terms energy: -671.454634 where: bonds (distance) C4'-P energy: -122.614 bonds (distance) P-C4' energy: -130.774 flat angles C4'-P-C4' energy: -156.090 flat angles P-C4'-P energy: -97.668 tors. eta vs tors. theta energy: -164.309 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: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1660.247886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.247886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.247886 (E_RNA) where: Base-Base interactions energy: -1090.447 where: short stacking energy: -477.448 Base-Backbone interact. energy: -3.592 local terms energy: -566.208134 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -135.793 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -93.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1403.139002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.139002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.139002 (E_RNA) where: Base-Base interactions energy: -878.192 where: short stacking energy: -434.555 Base-Backbone interact. energy: 0.041 local terms energy: -524.988136 where: bonds (distance) C4'-P energy: -116.120 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -135.839 flat angles P-C4'-P energy: -78.783 tors. eta vs tors. theta energy: -68.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -954.663219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.663219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.663219 (E_RNA) where: Base-Base interactions energy: -526.666 where: short stacking energy: -257.063 Base-Backbone interact. energy: -0.714 local terms energy: -427.283899 where: bonds (distance) C4'-P energy: -108.641 bonds (distance) P-C4' energy: -131.720 flat angles C4'-P-C4' energy: -113.406 flat angles P-C4'-P energy: -73.682 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -748.218736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.218736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.218736 (E_RNA) where: Base-Base interactions energy: -353.078 where: short stacking energy: -211.105 Base-Backbone interact. energy: -0.584 local terms energy: -394.556455 where: bonds (distance) C4'-P energy: -123.974 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -104.830 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: 11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2673.432367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.432367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.432367 (E_RNA) where: Base-Base interactions energy: -1855.851 where: short stacking energy: -750.234 Base-Backbone interact. energy: 0.609 local terms energy: -818.190293 where: bonds (distance) C4'-P energy: -149.269 bonds (distance) P-C4' energy: -175.568 flat angles C4'-P-C4' energy: -175.805 flat angles P-C4'-P energy: -116.432 tors. eta vs tors. theta energy: -201.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2516.005423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.005423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.005423 (E_RNA) where: Base-Base interactions energy: -1726.797 where: short stacking energy: -731.116 Base-Backbone interact. energy: -4.671 local terms energy: -784.537833 where: bonds (distance) C4'-P energy: -160.611 bonds (distance) P-C4' energy: -147.498 flat angles C4'-P-C4' energy: -166.788 flat angles P-C4'-P energy: -108.910 tors. eta vs tors. theta energy: -200.732 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: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2419.354691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.354691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.354691 (E_RNA) where: Base-Base interactions energy: -1655.207 where: short stacking energy: -737.749 Base-Backbone interact. energy: -3.147 local terms energy: -761.000878 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -136.754 flat angles C4'-P-C4' energy: -170.212 flat angles P-C4'-P energy: -96.502 tors. eta vs tors. theta energy: -218.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2268.856049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.856049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.856049 (E_RNA) where: Base-Base interactions energy: -1502.292 where: short stacking energy: -651.958 Base-Backbone interact. energy: -3.921 local terms energy: -762.643537 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -141.800 flat angles C4'-P-C4' energy: -175.313 flat angles P-C4'-P energy: -121.718 tors. eta vs tors. theta energy: -181.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2155.332103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.332103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.332103 (E_RNA) where: Base-Base interactions energy: -1462.614 where: short stacking energy: -622.442 Base-Backbone interact. energy: -1.290 local terms energy: -691.427194 where: bonds (distance) C4'-P energy: -138.728 bonds (distance) P-C4' energy: -143.776 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -99.302 tors. eta vs tors. theta energy: -165.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2026.431257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.431257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.431257 (E_RNA) where: Base-Base interactions energy: -1345.341 where: short stacking energy: -605.182 Base-Backbone interact. energy: -4.090 local terms energy: -677.000303 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -133.626 flat angles C4'-P-C4' energy: -160.986 flat angles P-C4'-P energy: -89.599 tors. eta vs tors. theta energy: -170.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1681.881724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.881724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.881724 (E_RNA) where: Base-Base interactions energy: -1109.803 where: short stacking energy: -479.366 Base-Backbone interact. energy: 0.052 local terms energy: -572.129831 where: bonds (distance) C4'-P energy: -115.807 bonds (distance) P-C4' energy: -121.821 flat angles C4'-P-C4' energy: -132.395 flat angles P-C4'-P energy: -98.527 tors. eta vs tors. theta energy: -103.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1411.868962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.868962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.868962 (E_RNA) where: Base-Base interactions energy: -894.025 where: short stacking energy: -398.395 Base-Backbone interact. energy: 1.218 local terms energy: -519.062163 where: bonds (distance) C4'-P energy: -128.824 bonds (distance) P-C4' energy: -124.049 flat angles C4'-P-C4' energy: -134.335 flat angles P-C4'-P energy: -70.617 tors. eta vs tors. theta energy: -61.237 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -963.883801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.883801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.883801 (E_RNA) where: Base-Base interactions energy: -520.305 where: short stacking energy: -254.153 Base-Backbone interact. energy: -0.140 local terms energy: -443.438258 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -123.860 flat angles C4'-P-C4' energy: -125.797 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: 2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -731.944901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.944901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.944901 (E_RNA) where: Base-Base interactions energy: -309.509 where: short stacking energy: -203.477 Base-Backbone interact. energy: 7.078 local terms energy: -429.514438 where: bonds (distance) C4'-P energy: -125.343 bonds (distance) P-C4' energy: -112.690 flat angles C4'-P-C4' energy: -118.431 flat angles P-C4'-P energy: -79.068 tors. eta vs tors. theta energy: 6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2674.953311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.953311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.953311 (E_RNA) where: Base-Base interactions energy: -1889.627 where: short stacking energy: -773.360 Base-Backbone interact. energy: -2.989 local terms energy: -782.337282 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -155.415 flat angles C4'-P-C4' energy: -178.747 flat angles P-C4'-P energy: -101.387 tors. eta vs tors. theta energy: -209.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2532.561243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.561243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.561243 (E_RNA) where: Base-Base interactions energy: -1753.692 where: short stacking energy: -734.773 Base-Backbone interact. energy: -6.845 local terms energy: -772.024323 where: bonds (distance) C4'-P energy: -150.594 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -164.901 flat angles P-C4'-P energy: -108.293 tors. eta vs tors. theta energy: -200.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2404.684752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.684752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.684752 (E_RNA) where: Base-Base interactions energy: -1642.651 where: short stacking energy: -699.415 Base-Backbone interact. energy: -5.156 local terms energy: -756.878066 where: bonds (distance) C4'-P energy: -126.169 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -156.792 flat angles P-C4'-P energy: -104.577 tors. eta vs tors. theta energy: -221.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2259.733825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.733825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.733825 (E_RNA) where: Base-Base interactions energy: -1536.176 where: short stacking energy: -696.776 Base-Backbone interact. energy: -2.348 local terms energy: -721.209429 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -152.686 flat angles C4'-P-C4' energy: -165.543 flat angles P-C4'-P energy: -84.867 tors. eta vs tors. theta energy: -187.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2127.703818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.703818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.703818 (E_RNA) where: Base-Base interactions energy: -1416.213 where: short stacking energy: -634.008 Base-Backbone interact. energy: -2.317 local terms energy: -709.173520 where: bonds (distance) C4'-P energy: -133.505 bonds (distance) P-C4' energy: -128.871 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -107.944 tors. eta vs tors. theta energy: -173.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2000.079842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.079842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.079842 (E_RNA) where: Base-Base interactions energy: -1346.195 where: short stacking energy: -567.083 Base-Backbone interact. energy: -3.320 local terms energy: -650.565672 where: bonds (distance) C4'-P energy: -134.835 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -133.561 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -158.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1779.547803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.547803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.547803 (E_RNA) where: Base-Base interactions energy: -1178.378 where: short stacking energy: -512.587 Base-Backbone interact. energy: -2.404 local terms energy: -598.765484 where: bonds (distance) C4'-P energy: -114.704 bonds (distance) P-C4' energy: -132.063 flat angles C4'-P-C4' energy: -143.285 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -128.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1355.809361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.809361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.809361 (E_RNA) where: Base-Base interactions energy: -831.242 where: short stacking energy: -403.706 Base-Backbone interact. energy: -5.308 local terms energy: -519.259344 where: bonds (distance) C4'-P energy: -124.688 bonds (distance) P-C4' energy: -131.877 flat angles C4'-P-C4' energy: -128.278 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -60.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -973.989441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.989441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.989441 (E_RNA) where: Base-Base interactions energy: -511.258 where: short stacking energy: -279.124 Base-Backbone interact. energy: 0.009 local terms energy: -462.740717 where: bonds (distance) C4'-P energy: -135.767 bonds (distance) P-C4' energy: -127.515 flat angles C4'-P-C4' energy: -109.034 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -29.366 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: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -759.785404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.785404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.785404 (E_RNA) where: Base-Base interactions energy: -373.085 where: short stacking energy: -241.045 Base-Backbone interact. energy: 5.328 local terms energy: -392.029057 where: bonds (distance) C4'-P energy: -105.610 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -116.496 flat angles P-C4'-P energy: -63.731 tors. eta vs tors. theta energy: 3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2702.509469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.509469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.509469 (E_RNA) where: Base-Base interactions energy: -1895.987 where: short stacking energy: -768.144 Base-Backbone interact. energy: -6.647 local terms energy: -799.875089 where: bonds (distance) C4'-P energy: -151.322 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -174.585 flat angles P-C4'-P energy: -111.911 tors. eta vs tors. theta energy: -212.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2531.529230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.529230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.529230 (E_RNA) where: Base-Base interactions energy: -1778.629 where: short stacking energy: -744.685 Base-Backbone interact. energy: -4.263 local terms energy: -748.637566 where: bonds (distance) C4'-P energy: -137.094 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -169.462 flat angles P-C4'-P energy: -105.160 tors. eta vs tors. theta energy: -203.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2394.791749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.791749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.791749 (E_RNA) where: Base-Base interactions energy: -1616.939 where: short stacking energy: -688.545 Base-Backbone interact. energy: -2.316 local terms energy: -775.536501 where: bonds (distance) C4'-P energy: -133.375 bonds (distance) P-C4' energy: -150.050 flat angles C4'-P-C4' energy: -164.440 flat angles P-C4'-P energy: -124.773 tors. eta vs tors. theta energy: -202.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2294.649763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.649763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.649763 (E_RNA) where: Base-Base interactions energy: -1575.715 where: short stacking energy: -656.438 Base-Backbone interact. energy: -2.765 local terms energy: -716.170469 where: bonds (distance) C4'-P energy: -134.843 bonds (distance) P-C4' energy: -139.550 flat angles C4'-P-C4' energy: -166.075 flat angles P-C4'-P energy: -103.807 tors. eta vs tors. theta energy: -171.895 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: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2155.492749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.492749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.492749 (E_RNA) where: Base-Base interactions energy: -1427.998 where: short stacking energy: -622.564 Base-Backbone interact. energy: 7.131 local terms energy: -734.625273 where: bonds (distance) C4'-P energy: -146.197 bonds (distance) P-C4' energy: -143.653 flat angles C4'-P-C4' energy: -151.775 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -187.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1948.698734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.698734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.698734 (E_RNA) where: Base-Base interactions energy: -1267.218 where: short stacking energy: -582.065 Base-Backbone interact. energy: -0.069 local terms energy: -681.411219 where: bonds (distance) C4'-P energy: -140.399 bonds (distance) P-C4' energy: -137.939 flat angles C4'-P-C4' energy: -149.292 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -158.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1775.892179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.892179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.892179 (E_RNA) where: Base-Base interactions energy: -1172.938 where: short stacking energy: -529.129 Base-Backbone interact. energy: -2.224 local terms energy: -600.730763 where: bonds (distance) C4'-P energy: -125.652 bonds (distance) P-C4' energy: -137.508 flat angles C4'-P-C4' energy: -149.121 flat angles P-C4'-P energy: -76.475 tors. eta vs tors. theta energy: -111.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1321.534785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.534785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.534785 (E_RNA) where: Base-Base interactions energy: -801.672 where: short stacking energy: -405.068 Base-Backbone interact. energy: 0.539 local terms energy: -520.401677 where: bonds (distance) C4'-P energy: -113.496 bonds (distance) P-C4' energy: -143.388 flat angles C4'-P-C4' energy: -128.486 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -82.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1013.109209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.109209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.109209 (E_RNA) where: Base-Base interactions energy: -517.000 where: short stacking energy: -287.148 Base-Backbone interact. energy: 2.974 local terms energy: -499.082775 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -127.095 flat angles C4'-P-C4' energy: -127.231 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -32.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -729.593307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.593307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.593307 (E_RNA) where: Base-Base interactions energy: -323.645 where: short stacking energy: -217.042 Base-Backbone interact. energy: 4.677 local terms energy: -410.625187 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -130.642 flat angles C4'-P-C4' energy: -117.038 flat angles P-C4'-P energy: -72.590 tors. eta vs tors. theta energy: 28.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2657.175541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.175541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.175541 (E_RNA) where: Base-Base interactions energy: -1852.682 where: short stacking energy: -758.297 Base-Backbone interact. energy: -0.824 local terms energy: -803.669529 where: bonds (distance) C4'-P energy: -144.827 bonds (distance) P-C4' energy: -157.278 flat angles C4'-P-C4' energy: -177.867 flat angles P-C4'-P energy: -119.491 tors. eta vs tors. theta energy: -204.207 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: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2526.604883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.604883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.604883 (E_RNA) where: Base-Base interactions energy: -1743.512 where: short stacking energy: -690.032 Base-Backbone interact. energy: -2.037 local terms energy: -781.055190 where: bonds (distance) C4'-P energy: -142.675 bonds (distance) P-C4' energy: -152.049 flat angles C4'-P-C4' energy: -168.807 flat angles P-C4'-P energy: -122.747 tors. eta vs tors. theta energy: -194.778 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: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2366.316888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.316888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.316888 (E_RNA) where: Base-Base interactions energy: -1625.013 where: short stacking energy: -711.350 Base-Backbone interact. energy: -0.079 local terms energy: -741.224864 where: bonds (distance) C4'-P energy: -142.747 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -166.812 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -189.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2228.352081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.352081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.352081 (E_RNA) where: Base-Base interactions energy: -1525.139 where: short stacking energy: -634.385 Base-Backbone interact. energy: -0.905 local terms energy: -702.307938 where: bonds (distance) C4'-P energy: -126.058 bonds (distance) P-C4' energy: -156.722 flat angles C4'-P-C4' energy: -144.225 flat angles P-C4'-P energy: -100.229 tors. eta vs tors. theta energy: -175.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2154.227279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.227279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.227279 (E_RNA) where: Base-Base interactions energy: -1443.300 where: short stacking energy: -649.425 Base-Backbone interact. energy: -0.065 local terms energy: -710.862668 where: bonds (distance) C4'-P energy: -113.728 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -159.512 flat angles P-C4'-P energy: -94.490 tors. eta vs tors. theta energy: -195.590 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: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1946.599729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.599729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.599729 (E_RNA) where: Base-Base interactions energy: -1281.600 where: short stacking energy: -612.616 Base-Backbone interact. energy: -1.744 local terms energy: -663.255329 where: bonds (distance) C4'-P energy: -135.391 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -144.709 flat angles P-C4'-P energy: -96.999 tors. eta vs tors. theta energy: -162.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1734.551969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.551969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.551969 (E_RNA) where: Base-Base interactions energy: -1132.598 where: short stacking energy: -516.085 Base-Backbone interact. energy: -3.220 local terms energy: -598.733884 where: bonds (distance) C4'-P energy: -139.571 bonds (distance) P-C4' energy: -128.749 flat angles C4'-P-C4' energy: -123.630 flat angles P-C4'-P energy: -93.993 tors. eta vs tors. theta energy: -112.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1323.333902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.333902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.333902 (E_RNA) where: Base-Base interactions energy: -815.491 where: short stacking energy: -406.352 Base-Backbone interact. energy: 1.220 local terms energy: -509.062201 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -137.291 flat angles C4'-P-C4' energy: -121.184 flat angles P-C4'-P energy: -74.084 tors. eta vs tors. theta energy: -61.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -995.818035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.818035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.818035 (E_RNA) where: Base-Base interactions energy: -532.547 where: short stacking energy: -281.612 Base-Backbone interact. energy: -0.775 local terms energy: -462.496064 where: bonds (distance) C4'-P energy: -145.306 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -103.404 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -21.464 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: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -702.086905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.086905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.086905 (E_RNA) where: Base-Base interactions energy: -296.821 where: short stacking energy: -199.692 Base-Backbone interact. energy: -0.971 local terms energy: -404.295504 where: bonds (distance) C4'-P energy: -104.414 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -110.797 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: 2.713 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: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2677.482102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.482102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.482102 (E_RNA) where: Base-Base interactions energy: -1869.457 where: short stacking energy: -767.519 Base-Backbone interact. energy: -2.522 local terms energy: -805.503140 where: bonds (distance) C4'-P energy: -153.856 bonds (distance) P-C4' energy: -152.435 flat angles C4'-P-C4' energy: -172.520 flat angles P-C4'-P energy: -122.008 tors. eta vs tors. theta energy: -204.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2521.612506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.612506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.612506 (E_RNA) where: Base-Base interactions energy: -1770.475 where: short stacking energy: -681.720 Base-Backbone interact. energy: -5.088 local terms energy: -746.050179 where: bonds (distance) C4'-P energy: -150.192 bonds (distance) P-C4' energy: -153.463 flat angles C4'-P-C4' energy: -160.097 flat angles P-C4'-P energy: -92.671 tors. eta vs tors. theta energy: -189.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2397.835049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.835049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.835049 (E_RNA) where: Base-Base interactions energy: -1632.489 where: short stacking energy: -710.058 Base-Backbone interact. energy: -3.722 local terms energy: -761.623660 where: bonds (distance) C4'-P energy: -150.653 bonds (distance) P-C4' energy: -136.886 flat angles C4'-P-C4' energy: -178.232 flat angles P-C4'-P energy: -96.337 tors. eta vs tors. theta energy: -199.516 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: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2265.229979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.229979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.229979 (E_RNA) where: Base-Base interactions energy: -1556.902 where: short stacking energy: -647.337 Base-Backbone interact. energy: -0.763 local terms energy: -707.564822 where: bonds (distance) C4'-P energy: -134.436 bonds (distance) P-C4' energy: -137.248 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -110.026 tors. eta vs tors. theta energy: -174.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2175.466866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.466866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.466866 (E_RNA) where: Base-Base interactions energy: -1493.990 where: short stacking energy: -651.666 Base-Backbone interact. energy: -1.385 local terms energy: -680.091902 where: bonds (distance) C4'-P energy: -119.679 bonds (distance) P-C4' energy: -121.383 flat angles C4'-P-C4' energy: -158.086 flat angles P-C4'-P energy: -87.129 tors. eta vs tors. theta energy: -193.814 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: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1947.036518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.036518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.036518 (E_RNA) where: Base-Base interactions energy: -1314.333 where: short stacking energy: -590.989 Base-Backbone interact. energy: -2.373 local terms energy: -630.331167 where: bonds (distance) C4'-P energy: -123.563 bonds (distance) P-C4' energy: -127.573 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -103.284 tors. eta vs tors. theta energy: -135.844 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: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1727.712897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.712897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.712897 (E_RNA) where: Base-Base interactions energy: -1141.977 where: short stacking energy: -461.513 Base-Backbone interact. energy: -3.525 local terms energy: -582.210638 where: bonds (distance) C4'-P energy: -122.000 bonds (distance) P-C4' energy: -143.815 flat angles C4'-P-C4' energy: -123.278 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -102.739 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: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1376.519916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.519916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.519916 (E_RNA) where: Base-Base interactions energy: -826.669 where: short stacking energy: -390.316 Base-Backbone interact. energy: -1.069 local terms energy: -548.782590 where: bonds (distance) C4'-P energy: -122.809 bonds (distance) P-C4' energy: -122.352 flat angles C4'-P-C4' energy: -139.984 flat angles P-C4'-P energy: -91.350 tors. eta vs tors. theta energy: -72.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1024.455746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.455746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.455746 (E_RNA) where: Base-Base interactions energy: -594.246 where: short stacking energy: -280.939 Base-Backbone interact. energy: -0.413 local terms energy: -429.796945 where: bonds (distance) C4'-P energy: -106.239 bonds (distance) P-C4' energy: -116.690 flat angles C4'-P-C4' energy: -125.433 flat angles P-C4'-P energy: -66.966 tors. eta vs tors. theta energy: -14.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -755.864491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.864491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.864491 (E_RNA) where: Base-Base interactions energy: -333.704 where: short stacking energy: -225.561 Base-Backbone interact. energy: -1.385 local terms energy: -420.775695 where: bonds (distance) C4'-P energy: -126.535 bonds (distance) P-C4' energy: -131.680 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -69.967 tors. eta vs tors. theta energy: 14.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2673.496709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.496709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.496709 (E_RNA) where: Base-Base interactions energy: -1861.341 where: short stacking energy: -774.597 Base-Backbone interact. energy: -1.969 local terms energy: -810.186862 where: bonds (distance) C4'-P energy: -165.368 bonds (distance) P-C4' energy: -148.948 flat angles C4'-P-C4' energy: -180.068 flat angles P-C4'-P energy: -105.972 tors. eta vs tors. theta energy: -209.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2517.166604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.166604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.166604 (E_RNA) where: Base-Base interactions energy: -1767.547 where: short stacking energy: -669.260 Base-Backbone interact. energy: -5.372 local terms energy: -744.248404 where: bonds (distance) C4'-P energy: -138.455 bonds (distance) P-C4' energy: -158.266 flat angles C4'-P-C4' energy: -170.076 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -174.794 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: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2414.720724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.720724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.720724 (E_RNA) where: Base-Base interactions energy: -1661.079 where: short stacking energy: -702.157 Base-Backbone interact. energy: -7.444 local terms energy: -746.198168 where: bonds (distance) C4'-P energy: -150.491 bonds (distance) P-C4' energy: -150.489 flat angles C4'-P-C4' energy: -162.469 flat angles P-C4'-P energy: -97.220 tors. eta vs tors. theta energy: -185.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2260.300260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.300260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.300260 (E_RNA) where: Base-Base interactions energy: -1527.887 where: short stacking energy: -653.196 Base-Backbone interact. energy: -1.417 local terms energy: -730.996010 where: bonds (distance) C4'-P energy: -148.327 bonds (distance) P-C4' energy: -129.611 flat angles C4'-P-C4' energy: -173.248 flat angles P-C4'-P energy: -101.200 tors. eta vs tors. theta energy: -178.609 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: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2201.781593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.781593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.781593 (E_RNA) where: Base-Base interactions energy: -1466.885 where: short stacking energy: -651.147 Base-Backbone interact. energy: 3.896 local terms energy: -738.792856 where: bonds (distance) C4'-P energy: -147.929 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -165.782 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -191.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1923.419566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.419566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.419566 (E_RNA) where: Base-Base interactions energy: -1267.581 where: short stacking energy: -596.444 Base-Backbone interact. energy: -2.778 local terms energy: -653.061089 where: bonds (distance) C4'-P energy: -130.732 bonds (distance) P-C4' energy: -144.037 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -90.996 tors. eta vs tors. theta energy: -140.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1729.017168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.017168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.017168 (E_RNA) where: Base-Base interactions energy: -1123.544 where: short stacking energy: -488.269 Base-Backbone interact. energy: -5.468 local terms energy: -600.005435 where: bonds (distance) C4'-P energy: -123.215 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -135.659 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -114.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1414.280957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.280957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.280957 (E_RNA) where: Base-Base interactions energy: -873.205 where: short stacking energy: -405.965 Base-Backbone interact. energy: -0.370 local terms energy: -540.705538 where: bonds (distance) C4'-P energy: -111.131 bonds (distance) P-C4' energy: -126.868 flat angles C4'-P-C4' energy: -118.697 flat angles P-C4'-P energy: -98.529 tors. eta vs tors. theta energy: -85.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1064.644278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.644278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.644278 (E_RNA) where: Base-Base interactions energy: -602.451 where: short stacking energy: -315.172 Base-Backbone interact. energy: 5.643 local terms energy: -467.836531 where: bonds (distance) C4'-P energy: -128.436 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -103.864 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -33.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -741.720504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.720504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.720504 (E_RNA) where: Base-Base interactions energy: -328.997 where: short stacking energy: -189.610 Base-Backbone interact. energy: -2.282 local terms energy: -410.441862 where: bonds (distance) C4'-P energy: -116.841 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -90.955 flat angles P-C4'-P energy: -80.569 tors. eta vs tors. theta energy: 10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2681.326442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.326442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.326442 (E_RNA) where: Base-Base interactions energy: -1870.364 where: short stacking energy: -758.838 Base-Backbone interact. energy: -3.372 local terms energy: -807.590250 where: bonds (distance) C4'-P energy: -157.529 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -179.388 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -212.391 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: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2562.103218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.103218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.103218 (E_RNA) where: Base-Base interactions energy: -1773.484 where: short stacking energy: -717.276 Base-Backbone interact. energy: -0.707 local terms energy: -787.912015 where: bonds (distance) C4'-P energy: -146.603 bonds (distance) P-C4' energy: -152.382 flat angles C4'-P-C4' energy: -176.509 flat angles P-C4'-P energy: -110.451 tors. eta vs tors. theta energy: -201.967 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: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2455.735172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.735172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.735172 (E_RNA) where: Base-Base interactions energy: -1671.654 where: short stacking energy: -701.879 Base-Backbone interact. energy: -4.323 local terms energy: -779.758598 where: bonds (distance) C4'-P energy: -145.892 bonds (distance) P-C4' energy: -153.825 flat angles C4'-P-C4' energy: -168.204 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -199.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2254.019163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.019163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.019163 (E_RNA) where: Base-Base interactions energy: -1554.607 where: short stacking energy: -655.754 Base-Backbone interact. energy: -5.239 local terms energy: -694.173489 where: bonds (distance) C4'-P energy: -137.550 bonds (distance) P-C4' energy: -133.117 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -170.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2156.552658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.552658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.552658 (E_RNA) where: Base-Base interactions energy: -1436.725 where: short stacking energy: -615.573 Base-Backbone interact. energy: -3.399 local terms energy: -716.428677 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -156.092 flat angles C4'-P-C4' energy: -145.304 flat angles P-C4'-P energy: -101.244 tors. eta vs tors. theta energy: -183.755 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: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1956.490794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.490794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.490794 (E_RNA) where: Base-Base interactions energy: -1310.710 where: short stacking energy: -601.222 Base-Backbone interact. energy: -1.963 local terms energy: -643.817623 where: bonds (distance) C4'-P energy: -118.656 bonds (distance) P-C4' energy: -142.216 flat angles C4'-P-C4' energy: -152.286 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -146.322 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: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1678.547683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.547683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.547683 (E_RNA) where: Base-Base interactions energy: -1121.510 where: short stacking energy: -490.087 Base-Backbone interact. energy: -0.206 local terms energy: -556.832167 where: bonds (distance) C4'-P energy: -110.830 bonds (distance) P-C4' energy: -124.446 flat angles C4'-P-C4' energy: -151.220 flat angles P-C4'-P energy: -81.304 tors. eta vs tors. theta energy: -89.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1442.669378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.669378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.669378 (E_RNA) where: Base-Base interactions energy: -887.253 where: short stacking energy: -422.760 Base-Backbone interact. energy: 2.306 local terms energy: -557.723068 where: bonds (distance) C4'-P energy: -123.505 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -131.481 flat angles P-C4'-P energy: -82.883 tors. eta vs tors. theta energy: -80.291 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: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1021.119831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.119831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.119831 (E_RNA) where: Base-Base interactions energy: -569.926 where: short stacking energy: -284.951 Base-Backbone interact. energy: 0.321 local terms energy: -451.515027 where: bonds (distance) C4'-P energy: -129.762 bonds (distance) P-C4' energy: -127.464 flat angles C4'-P-C4' energy: -120.334 flat angles P-C4'-P energy: -57.900 tors. eta vs tors. theta energy: -16.056 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: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -747.104323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.104323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.104323 (E_RNA) where: Base-Base interactions energy: -368.661 where: short stacking energy: -194.967 Base-Backbone interact. energy: 7.510 local terms energy: -385.953318 where: bonds (distance) C4'-P energy: -117.831 bonds (distance) P-C4' energy: -130.101 flat angles C4'-P-C4' energy: -115.201 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: 18.239 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: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2671.967196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.967196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.967196 (E_RNA) where: Base-Base interactions energy: -1878.553 where: short stacking energy: -767.285 Base-Backbone interact. energy: -2.817 local terms energy: -790.596739 where: bonds (distance) C4'-P energy: -138.510 bonds (distance) P-C4' energy: -160.385 flat angles C4'-P-C4' energy: -170.010 flat angles P-C4'-P energy: -106.748 tors. eta vs tors. theta energy: -214.944 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2563.670793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.670793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.670793 (E_RNA) where: Base-Base interactions energy: -1783.446 where: short stacking energy: -727.277 Base-Backbone interact. energy: -3.108 local terms energy: -777.115845 where: bonds (distance) C4'-P energy: -159.857 bonds (distance) P-C4' energy: -149.364 flat angles C4'-P-C4' energy: -162.016 flat angles P-C4'-P energy: -105.593 tors. eta vs tors. theta energy: -200.286 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: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2415.324455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.324455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.324455 (E_RNA) where: Base-Base interactions energy: -1655.342 where: short stacking energy: -716.984 Base-Backbone interact. energy: -0.109 local terms energy: -759.873435 where: bonds (distance) C4'-P energy: -142.866 bonds (distance) P-C4' energy: -150.249 flat angles C4'-P-C4' energy: -159.378 flat angles P-C4'-P energy: -109.594 tors. eta vs tors. theta energy: -197.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2248.122717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.122717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.122717 (E_RNA) where: Base-Base interactions energy: -1538.141 where: short stacking energy: -645.671 Base-Backbone interact. energy: -2.187 local terms energy: -707.794749 where: bonds (distance) C4'-P energy: -137.053 bonds (distance) P-C4' energy: -142.869 flat angles C4'-P-C4' energy: -160.182 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -169.633 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: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2204.237841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.237841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.237841 (E_RNA) where: Base-Base interactions energy: -1505.762 where: short stacking energy: -692.278 Base-Backbone interact. energy: -0.690 local terms energy: -697.785938 where: bonds (distance) C4'-P energy: -114.806 bonds (distance) P-C4' energy: -136.257 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -200.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1985.192988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.192988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.192988 (E_RNA) where: Base-Base interactions energy: -1327.649 where: short stacking energy: -628.028 Base-Backbone interact. energy: 4.193 local terms energy: -661.736475 where: bonds (distance) C4'-P energy: -130.283 bonds (distance) P-C4' energy: -134.190 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -162.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1641.634016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.634016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.634016 (E_RNA) where: Base-Base interactions energy: -1053.856 where: short stacking energy: -464.898 Base-Backbone interact. energy: -2.466 local terms energy: -585.312014 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -132.981 flat angles C4'-P-C4' energy: -139.457 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -112.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1436.363740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.363740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.363740 (E_RNA) where: Base-Base interactions energy: -882.750 where: short stacking energy: -419.309 Base-Backbone interact. energy: 3.396 local terms energy: -557.010318 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -130.039 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -83.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1116.152771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.152771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.152771 (E_RNA) where: Base-Base interactions energy: -673.197 where: short stacking energy: -342.495 Base-Backbone interact. energy: 0.179 local terms energy: -443.135141 where: bonds (distance) C4'-P energy: -104.629 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -121.387 flat angles P-C4'-P energy: -70.365 tors. eta vs tors. theta energy: -30.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -741.999249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.999249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.999249 (E_RNA) where: Base-Base interactions energy: -325.720 where: short stacking energy: -202.051 Base-Backbone interact. energy: -0.994 local terms energy: -415.285997 where: bonds (distance) C4'-P energy: -113.941 bonds (distance) P-C4' energy: -121.620 flat angles C4'-P-C4' energy: -115.585 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2664.090142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.090142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.090142 (E_RNA) where: Base-Base interactions energy: -1843.657 where: short stacking energy: -728.572 Base-Backbone interact. energy: -7.421 local terms energy: -813.012238 where: bonds (distance) C4'-P energy: -162.377 bonds (distance) P-C4' energy: -146.949 flat angles C4'-P-C4' energy: -174.501 flat angles P-C4'-P energy: -127.291 tors. eta vs tors. theta energy: -201.894 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: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2581.836924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.836924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.836924 (E_RNA) where: Base-Base interactions energy: -1803.257 where: short stacking energy: -730.692 Base-Backbone interact. energy: -2.466 local terms energy: -776.114791 where: bonds (distance) C4'-P energy: -148.934 bonds (distance) P-C4' energy: -151.396 flat angles C4'-P-C4' energy: -171.080 flat angles P-C4'-P energy: -109.971 tors. eta vs tors. theta energy: -194.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2433.720628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.720628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.720628 (E_RNA) where: Base-Base interactions energy: -1648.873 where: short stacking energy: -708.310 Base-Backbone interact. energy: -1.765 local terms energy: -783.082877 where: bonds (distance) C4'-P energy: -143.113 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -168.111 flat angles P-C4'-P energy: -102.382 tors. eta vs tors. theta energy: -209.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2286.919336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.919336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.919336 (E_RNA) where: Base-Base interactions energy: -1561.919 where: short stacking energy: -657.271 Base-Backbone interact. energy: 10.311 local terms energy: -735.311555 where: bonds (distance) C4'-P energy: -135.730 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -167.524 flat angles P-C4'-P energy: -109.307 tors. eta vs tors. theta energy: -177.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2198.681927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.681927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.681927 (E_RNA) where: Base-Base interactions energy: -1499.134 where: short stacking energy: -659.883 Base-Backbone interact. energy: 1.150 local terms energy: -700.698061 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -127.840 flat angles C4'-P-C4' energy: -151.355 flat angles P-C4'-P energy: -103.988 tors. eta vs tors. theta energy: -184.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1967.274727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.274727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.274727 (E_RNA) where: Base-Base interactions energy: -1322.093 where: short stacking energy: -585.235 Base-Backbone interact. energy: -3.447 local terms energy: -641.735061 where: bonds (distance) C4'-P energy: -129.253 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -136.819 flat angles P-C4'-P energy: -95.332 tors. eta vs tors. theta energy: -135.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1716.995381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.995381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.995381 (E_RNA) where: Base-Base interactions energy: -1105.824 where: short stacking energy: -508.781 Base-Backbone interact. energy: -4.822 local terms energy: -606.350006 where: bonds (distance) C4'-P energy: -107.883 bonds (distance) P-C4' energy: -128.888 flat angles C4'-P-C4' energy: -150.200 flat angles P-C4'-P energy: -104.501 tors. eta vs tors. theta energy: -114.878 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: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1393.136506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.136506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.136506 (E_RNA) where: Base-Base interactions energy: -846.350 where: short stacking energy: -398.948 Base-Backbone interact. energy: 4.619 local terms energy: -551.405582 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -139.637 flat angles C4'-P-C4' energy: -115.336 flat angles P-C4'-P energy: -99.776 tors. eta vs tors. theta energy: -77.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1175.427667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.427667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.427667 (E_RNA) where: Base-Base interactions energy: -716.027 where: short stacking energy: -334.130 Base-Backbone interact. energy: 0.011 local terms energy: -459.411691 where: bonds (distance) C4'-P energy: -108.764 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -121.215 flat angles P-C4'-P energy: -66.074 tors. eta vs tors. theta energy: -43.409 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: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -707.238277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.238277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.238277 (E_RNA) where: Base-Base interactions energy: -347.243 where: short stacking energy: -208.235 Base-Backbone interact. energy: 13.333 local terms energy: -373.328523 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -112.379 flat angles C4'-P-C4' energy: -85.486 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: 2.187 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: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2661.296398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.296398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.296398 (E_RNA) where: Base-Base interactions energy: -1851.905 where: short stacking energy: -729.634 Base-Backbone interact. energy: -4.398 local terms energy: -804.993116 where: bonds (distance) C4'-P energy: -151.944 bonds (distance) P-C4' energy: -157.512 flat angles C4'-P-C4' energy: -180.379 flat angles P-C4'-P energy: -109.738 tors. eta vs tors. theta energy: -205.420 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: 2, replica: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2567.677492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.677492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.677492 (E_RNA) where: Base-Base interactions energy: -1784.281 where: short stacking energy: -733.368 Base-Backbone interact. energy: -6.756 local terms energy: -776.640271 where: bonds (distance) C4'-P energy: -133.053 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -162.142 flat angles P-C4'-P energy: -117.572 tors. eta vs tors. theta energy: -209.460 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: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2446.054282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.054282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.054282 (E_RNA) where: Base-Base interactions energy: -1688.232 where: short stacking energy: -709.781 Base-Backbone interact. energy: 0.257 local terms energy: -758.079333 where: bonds (distance) C4'-P energy: -156.260 bonds (distance) P-C4' energy: -144.790 flat angles C4'-P-C4' energy: -160.738 flat angles P-C4'-P energy: -88.820 tors. eta vs tors. theta energy: -207.472 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: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2299.236858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.236858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.236858 (E_RNA) where: Base-Base interactions energy: -1563.768 where: short stacking energy: -672.385 Base-Backbone interact. energy: -4.817 local terms energy: -730.652609 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -170.279 flat angles P-C4'-P energy: -110.810 tors. eta vs tors. theta energy: -184.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2254.899920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.899920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.899920 (E_RNA) where: Base-Base interactions energy: -1539.327 where: short stacking energy: -714.960 Base-Backbone interact. energy: 7.615 local terms energy: -723.187796 where: bonds (distance) C4'-P energy: -130.811 bonds (distance) P-C4' energy: -132.981 flat angles C4'-P-C4' energy: -153.632 flat angles P-C4'-P energy: -95.457 tors. eta vs tors. theta energy: -210.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1981.415431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.415431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.415431 (E_RNA) where: Base-Base interactions energy: -1336.573 where: short stacking energy: -564.323 Base-Backbone interact. energy: -0.616 local terms energy: -644.226255 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -134.469 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -71.603 tors. eta vs tors. theta energy: -152.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1636.363701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.363701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.363701 (E_RNA) where: Base-Base interactions energy: -1038.550 where: short stacking energy: -483.558 Base-Backbone interact. energy: -2.187 local terms energy: -595.627324 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -130.129 flat angles C4'-P-C4' energy: -131.146 flat angles P-C4'-P energy: -98.895 tors. eta vs tors. theta energy: -110.059 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: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1403.461798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.461798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.461798 (E_RNA) where: Base-Base interactions energy: -860.656 where: short stacking energy: -388.425 Base-Backbone interact. energy: -2.284 local terms energy: -540.522215 where: bonds (distance) C4'-P energy: -128.283 bonds (distance) P-C4' energy: -134.954 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -72.648 tors. eta vs tors. theta energy: -83.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1169.114959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.114959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.114959 (E_RNA) where: Base-Base interactions energy: -682.971 where: short stacking energy: -341.172 Base-Backbone interact. energy: 2.945 local terms energy: -489.089335 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -116.471 flat angles P-C4'-P energy: -74.449 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: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -715.776476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.776476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.776476 (E_RNA) where: Base-Base interactions energy: -300.197 where: short stacking energy: -198.860 Base-Backbone interact. energy: 0.438 local terms energy: -416.017803 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -118.148 flat angles C4'-P-C4' energy: -111.723 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: 13.774 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: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2649.952464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.952464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.952464 (E_RNA) where: Base-Base interactions energy: -1842.529 where: short stacking energy: -748.555 Base-Backbone interact. energy: -4.038 local terms energy: -803.386007 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -173.774 flat angles P-C4'-P energy: -120.865 tors. eta vs tors. theta energy: -211.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2538.033792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.033792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.033792 (E_RNA) where: Base-Base interactions energy: -1731.615 where: short stacking energy: -745.035 Base-Backbone interact. energy: -7.302 local terms energy: -799.117369 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -151.237 flat angles C4'-P-C4' energy: -174.236 flat angles P-C4'-P energy: -113.483 tors. eta vs tors. theta energy: -214.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2457.968332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.968332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.968332 (E_RNA) where: Base-Base interactions energy: -1692.317 where: short stacking energy: -719.611 Base-Backbone interact. energy: -4.393 local terms energy: -761.258305 where: bonds (distance) C4'-P energy: -129.838 bonds (distance) P-C4' energy: -138.549 flat angles C4'-P-C4' energy: -176.017 flat angles P-C4'-P energy: -103.422 tors. eta vs tors. theta energy: -213.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2277.708298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.708298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.708298 (E_RNA) where: Base-Base interactions energy: -1545.664 where: short stacking energy: -672.763 Base-Backbone interact. energy: 0.455 local terms energy: -732.498952 where: bonds (distance) C4'-P energy: -149.926 bonds (distance) P-C4' energy: -149.047 flat angles C4'-P-C4' energy: -152.481 flat angles P-C4'-P energy: -104.288 tors. eta vs tors. theta energy: -176.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2199.930324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.930324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.930324 (E_RNA) where: Base-Base interactions energy: -1460.522 where: short stacking energy: -664.102 Base-Backbone interact. energy: -1.314 local terms energy: -738.094216 where: bonds (distance) C4'-P energy: -128.563 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -158.296 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -199.300 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: 6, replica: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1958.503006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.503006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.503006 (E_RNA) where: Base-Base interactions energy: -1310.066 where: short stacking energy: -630.921 Base-Backbone interact. energy: 5.410 local terms energy: -653.847578 where: bonds (distance) C4'-P energy: -135.790 bonds (distance) P-C4' energy: -134.547 flat angles C4'-P-C4' energy: -131.249 flat angles P-C4'-P energy: -86.320 tors. eta vs tors. theta energy: -165.942 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: 186 Temperature: 1.200000 Total energy: -1611.518734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.518734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.518734 (E_RNA) where: Base-Base interactions energy: -1051.236 where: short stacking energy: -484.728 Base-Backbone interact. energy: 2.375 local terms energy: -562.657781 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -138.269 flat angles C4'-P-C4' energy: -124.621 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -104.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1365.787960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.787960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.787960 (E_RNA) where: Base-Base interactions energy: -853.116 where: short stacking energy: -392.063 Base-Backbone interact. energy: 3.935 local terms energy: -516.607193 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -127.590 flat angles C4'-P-C4' energy: -125.614 flat angles P-C4'-P energy: -79.563 tors. eta vs tors. theta energy: -66.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1184.220588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.220588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.220588 (E_RNA) where: Base-Base interactions energy: -680.056 where: short stacking energy: -323.505 Base-Backbone interact. energy: 4.576 local terms energy: -508.741245 where: bonds (distance) C4'-P energy: -131.716 bonds (distance) P-C4' energy: -133.064 flat angles C4'-P-C4' energy: -128.464 flat angles P-C4'-P energy: -72.773 tors. eta vs tors. theta energy: -42.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -865.893431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.893431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.893431 (E_RNA) where: Base-Base interactions energy: -394.736 where: short stacking energy: -235.014 Base-Backbone interact. energy: -1.107 local terms energy: -470.049998 where: bonds (distance) C4'-P energy: -132.215 bonds (distance) P-C4' energy: -127.502 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -70.271 tors. eta vs tors. theta energy: -21.184 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: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2633.071661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.071661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.071661 (E_RNA) where: Base-Base interactions energy: -1817.967 where: short stacking energy: -744.334 Base-Backbone interact. energy: -2.080 local terms energy: -813.025015 where: bonds (distance) C4'-P energy: -156.255 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -174.501 flat angles P-C4'-P energy: -119.588 tors. eta vs tors. theta energy: -203.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2580.389446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.389446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.389446 (E_RNA) where: Base-Base interactions energy: -1796.000 where: short stacking energy: -714.844 Base-Backbone interact. energy: -5.032 local terms energy: -779.357442 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -138.993 flat angles C4'-P-C4' energy: -184.650 flat angles P-C4'-P energy: -106.957 tors. eta vs tors. theta energy: -199.051 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: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2438.646010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.646010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.646010 (E_RNA) where: Base-Base interactions energy: -1650.541 where: short stacking energy: -734.423 Base-Backbone interact. energy: 0.007 local terms energy: -788.111269 where: bonds (distance) C4'-P energy: -142.912 bonds (distance) P-C4' energy: -151.071 flat angles C4'-P-C4' energy: -162.082 flat angles P-C4'-P energy: -109.634 tors. eta vs tors. theta energy: -222.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2266.534939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.534939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.534939 (E_RNA) where: Base-Base interactions energy: -1527.582 where: short stacking energy: -696.678 Base-Backbone interact. energy: -3.232 local terms energy: -735.721561 where: bonds (distance) C4'-P energy: -141.424 bonds (distance) P-C4' energy: -137.078 flat angles C4'-P-C4' energy: -159.791 flat angles P-C4'-P energy: -99.967 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: 187 Temperature: 1.100000 Total energy: -2214.878439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.878439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.878439 (E_RNA) where: Base-Base interactions energy: -1525.787 where: short stacking energy: -637.717 Base-Backbone interact. energy: -3.428 local terms energy: -685.663437 where: bonds (distance) C4'-P energy: -138.130 bonds (distance) P-C4' energy: -142.823 flat angles C4'-P-C4' energy: -147.804 flat angles P-C4'-P energy: -97.226 tors. eta vs tors. theta energy: -159.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1914.832056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.832056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.832056 (E_RNA) where: Base-Base interactions energy: -1281.252 where: short stacking energy: -551.283 Base-Backbone interact. energy: -0.846 local terms energy: -632.733429 where: bonds (distance) C4'-P energy: -126.962 bonds (distance) P-C4' energy: -142.899 flat angles C4'-P-C4' energy: -148.020 flat angles P-C4'-P energy: -85.057 tors. eta vs tors. theta energy: -129.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1613.867234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.867234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.867234 (E_RNA) where: Base-Base interactions energy: -1015.316 where: short stacking energy: -485.459 Base-Backbone interact. energy: 2.902 local terms energy: -601.453434 where: bonds (distance) C4'-P energy: -123.510 bonds (distance) P-C4' energy: -134.789 flat angles C4'-P-C4' energy: -138.214 flat angles P-C4'-P energy: -91.109 tors. eta vs tors. theta energy: -113.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1332.954917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.954917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.954917 (E_RNA) where: Base-Base interactions energy: -845.469 where: short stacking energy: -403.380 Base-Backbone interact. energy: 0.487 local terms energy: -487.972819 where: bonds (distance) C4'-P energy: -109.451 bonds (distance) P-C4' energy: -108.235 flat angles C4'-P-C4' energy: -126.623 flat angles P-C4'-P energy: -83.560 tors. eta vs tors. theta energy: -60.103 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1146.742520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.742520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.742520 (E_RNA) where: Base-Base interactions energy: -691.070 where: short stacking energy: -347.707 Base-Backbone interact. energy: 4.623 local terms energy: -460.295573 where: bonds (distance) C4'-P energy: -104.672 bonds (distance) P-C4' energy: -121.060 flat angles C4'-P-C4' energy: -121.218 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -60.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -838.676388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.676388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.676388 (E_RNA) where: Base-Base interactions energy: -393.263 where: short stacking energy: -228.935 Base-Backbone interact. energy: 2.617 local terms energy: -448.031112 where: bonds (distance) C4'-P energy: -124.037 bonds (distance) P-C4' energy: -138.240 flat angles C4'-P-C4' energy: -106.305 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -6.059 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: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2634.691058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.691058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.691058 (E_RNA) where: Base-Base interactions energy: -1827.609 where: short stacking energy: -740.005 Base-Backbone interact. energy: -3.484 local terms energy: -803.597615 where: bonds (distance) C4'-P energy: -145.246 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -173.573 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -214.948 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: 2, replica: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2553.102365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.102365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.102365 (E_RNA) where: Base-Base interactions energy: -1757.221 where: short stacking energy: -722.261 Base-Backbone interact. energy: -6.701 local terms energy: -789.180982 where: bonds (distance) C4'-P energy: -139.022 bonds (distance) P-C4' energy: -154.269 flat angles C4'-P-C4' energy: -181.125 flat angles P-C4'-P energy: -112.377 tors. eta vs tors. theta energy: -202.387 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: 188 Temperature: 1.000000 Total energy: -2432.537117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.537117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.537117 (E_RNA) where: Base-Base interactions energy: -1677.416 where: short stacking energy: -721.592 Base-Backbone interact. energy: -3.040 local terms energy: -752.081597 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -154.986 flat angles C4'-P-C4' energy: -162.892 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -197.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2339.992593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.992593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.992593 (E_RNA) where: Base-Base interactions energy: -1552.163 where: short stacking energy: -716.396 Base-Backbone interact. energy: -1.175 local terms energy: -786.654891 where: bonds (distance) C4'-P energy: -145.717 bonds (distance) P-C4' energy: -141.665 flat angles C4'-P-C4' energy: -164.509 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -215.321 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: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2196.197572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.197572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.197572 (E_RNA) where: Base-Base interactions energy: -1506.115 where: short stacking energy: -595.752 Base-Backbone interact. energy: -4.704 local terms energy: -685.378792 where: bonds (distance) C4'-P energy: -138.818 bonds (distance) P-C4' energy: -149.556 flat angles C4'-P-C4' energy: -138.708 flat angles P-C4'-P energy: -96.976 tors. eta vs tors. theta energy: -161.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1992.631644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.631644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.631644 (E_RNA) where: Base-Base interactions energy: -1313.541 where: short stacking energy: -589.025 Base-Backbone interact. energy: 0.147 local terms energy: -679.238485 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -125.608 flat angles C4'-P-C4' energy: -149.474 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -159.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1581.131144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.131144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.131144 (E_RNA) where: Base-Base interactions energy: -1007.515 where: short stacking energy: -458.713 Base-Backbone interact. energy: -1.994 local terms energy: -571.622778 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -127.850 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -86.582 tors. eta vs tors. theta energy: -98.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1456.546060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.546060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.546060 (E_RNA) where: Base-Base interactions energy: -933.418 where: short stacking energy: -441.965 Base-Backbone interact. energy: 0.808 local terms energy: -523.935498 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -131.530 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -82.887 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1171.795211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.795211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.795211 (E_RNA) where: Base-Base interactions energy: -720.052 where: short stacking energy: -360.471 Base-Backbone interact. energy: 0.034 local terms energy: -451.777777 where: bonds (distance) C4'-P energy: -115.601 bonds (distance) P-C4' energy: -119.503 flat angles C4'-P-C4' energy: -108.396 flat angles P-C4'-P energy: -60.664 tors. eta vs tors. theta energy: -47.614 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: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -780.761286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.761286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.761286 (E_RNA) where: Base-Base interactions energy: -339.329 where: short stacking energy: -220.309 Base-Backbone interact. energy: -1.924 local terms energy: -439.507736 where: bonds (distance) C4'-P energy: -125.949 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: 5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2640.805558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.805558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.805558 (E_RNA) where: Base-Base interactions energy: -1852.665 where: short stacking energy: -736.482 Base-Backbone interact. energy: -2.815 local terms energy: -785.325896 where: bonds (distance) C4'-P energy: -154.414 bonds (distance) P-C4' energy: -152.327 flat angles C4'-P-C4' energy: -172.419 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -208.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2544.174200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.174200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.174200 (E_RNA) where: Base-Base interactions energy: -1759.384 where: short stacking energy: -766.884 Base-Backbone interact. energy: -1.949 local terms energy: -782.841244 where: bonds (distance) C4'-P energy: -136.811 bonds (distance) P-C4' energy: -153.652 flat angles C4'-P-C4' energy: -160.494 flat angles P-C4'-P energy: -117.111 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: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2532.496165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.496165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.496165 (E_RNA) where: Base-Base interactions energy: -1779.399 where: short stacking energy: -750.138 Base-Backbone interact. energy: -3.577 local terms energy: -749.519842 where: bonds (distance) C4'-P energy: -136.426 bonds (distance) P-C4' energy: -141.310 flat angles C4'-P-C4' energy: -165.471 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -201.863 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: 189 Temperature: 1.050000 Total energy: -2313.703640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.703640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.703640 (E_RNA) where: Base-Base interactions energy: -1557.375 where: short stacking energy: -684.069 Base-Backbone interact. energy: -2.237 local terms energy: -754.092248 where: bonds (distance) C4'-P energy: -129.211 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -167.674 flat angles P-C4'-P energy: -97.118 tors. eta vs tors. theta energy: -203.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2174.143996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.143996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.143996 (E_RNA) where: Base-Base interactions energy: -1492.027 where: short stacking energy: -649.221 Base-Backbone interact. energy: 7.941 local terms energy: -690.058053 where: bonds (distance) C4'-P energy: -132.008 bonds (distance) P-C4' energy: -137.450 flat angles C4'-P-C4' energy: -157.546 flat angles P-C4'-P energy: -77.675 tors. eta vs tors. theta energy: -185.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2038.056399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.056399 (E_RNA) where: Base-Base interactions energy: -1349.507 where: short stacking energy: -595.576 Base-Backbone interact. energy: -3.422 local terms energy: -685.127565 where: bonds (distance) C4'-P energy: -139.081 bonds (distance) P-C4' energy: -142.485 flat angles C4'-P-C4' energy: -148.761 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -160.124 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: 189 Temperature: 1.200000 Total energy: -1640.500527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.500527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.500527 (E_RNA) where: Base-Base interactions energy: -1057.866 where: short stacking energy: -489.505 Base-Backbone interact. energy: 0.052 local terms energy: -582.686346 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -140.452 flat angles C4'-P-C4' energy: -123.769 flat angles P-C4'-P energy: -80.120 tors. eta vs tors. theta energy: -120.026 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: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1444.075286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.075286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.075286 (E_RNA) where: Base-Base interactions energy: -921.901 where: short stacking energy: -449.215 Base-Backbone interact. energy: -0.301 local terms energy: -521.873217 where: bonds (distance) C4'-P energy: -112.634 bonds (distance) P-C4' energy: -133.439 flat angles C4'-P-C4' energy: -118.319 flat angles P-C4'-P energy: -74.170 tors. eta vs tors. theta energy: -83.310 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: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1112.728722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.728722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.728722 (E_RNA) where: Base-Base interactions energy: -668.488 where: short stacking energy: -327.553 Base-Backbone interact. energy: 11.587 local terms energy: -455.828449 where: bonds (distance) C4'-P energy: -99.159 bonds (distance) P-C4' energy: -139.657 flat angles C4'-P-C4' energy: -121.971 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -32.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -873.799059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.799059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.799059 (E_RNA) where: Base-Base interactions energy: -463.173 where: short stacking energy: -253.953 Base-Backbone interact. energy: 4.712 local terms energy: -415.338826 where: bonds (distance) C4'-P energy: -118.561 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -105.180 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: -13.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2665.813218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.813218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.813218 (E_RNA) where: Base-Base interactions energy: -1845.428 where: short stacking energy: -772.866 Base-Backbone interact. energy: -4.123 local terms energy: -816.262665 where: bonds (distance) C4'-P energy: -147.952 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -176.525 flat angles P-C4'-P energy: -111.982 tors. eta vs tors. theta energy: -224.777 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: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2559.360165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.360165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.360165 (E_RNA) where: Base-Base interactions energy: -1744.672 where: short stacking energy: -754.915 Base-Backbone interact. energy: -3.852 local terms energy: -810.837059 where: bonds (distance) C4'-P energy: -146.991 bonds (distance) P-C4' energy: -162.565 flat angles C4'-P-C4' energy: -173.858 flat angles P-C4'-P energy: -105.932 tors. eta vs tors. theta energy: -221.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2520.957972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.957972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.957972 (E_RNA) where: Base-Base interactions energy: -1720.368 where: short stacking energy: -703.071 Base-Backbone interact. energy: -2.119 local terms energy: -798.470569 where: bonds (distance) C4'-P energy: -161.393 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -176.815 flat angles P-C4'-P energy: -116.186 tors. eta vs tors. theta energy: -201.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2313.624802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.624802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.624802 (E_RNA) where: Base-Base interactions energy: -1592.521 where: short stacking energy: -741.181 Base-Backbone interact. energy: 2.781 local terms energy: -723.884550 where: bonds (distance) C4'-P energy: -139.961 bonds (distance) P-C4' energy: -125.453 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -203.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2240.393042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.393042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.393042 (E_RNA) where: Base-Base interactions energy: -1518.119 where: short stacking energy: -660.185 Base-Backbone interact. energy: -0.238 local terms energy: -722.036100 where: bonds (distance) C4'-P energy: -137.182 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -143.477 flat angles P-C4'-P energy: -108.738 tors. eta vs tors. theta energy: -186.014 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: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1963.068035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.068035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.068035 (E_RNA) where: Base-Base interactions energy: -1299.567 where: short stacking energy: -585.990 Base-Backbone interact. energy: -0.875 local terms energy: -662.626264 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -149.268 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -96.940 tors. eta vs tors. theta energy: -137.875 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: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1593.001682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.001682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.001682 (E_RNA) where: Base-Base interactions energy: -1045.196 where: short stacking energy: -450.055 Base-Backbone interact. energy: 3.474 local terms energy: -551.279918 where: bonds (distance) C4'-P energy: -115.762 bonds (distance) P-C4' energy: -132.684 flat angles C4'-P-C4' energy: -126.456 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -84.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1409.736121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.736121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.736121 (E_RNA) where: Base-Base interactions energy: -875.639 where: short stacking energy: -418.291 Base-Backbone interact. energy: 0.415 local terms energy: -534.512315 where: bonds (distance) C4'-P energy: -128.533 bonds (distance) P-C4' energy: -134.870 flat angles C4'-P-C4' energy: -126.278 flat angles P-C4'-P energy: -71.384 tors. eta vs tors. theta energy: -73.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1203.954868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.954868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.954868 (E_RNA) where: Base-Base interactions energy: -689.263 where: short stacking energy: -342.832 Base-Backbone interact. energy: 0.976 local terms energy: -515.668274 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -137.602 flat angles C4'-P-C4' energy: -117.632 flat angles P-C4'-P energy: -71.164 tors. eta vs tors. theta energy: -58.599 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: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -823.809992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.809992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.809992 (E_RNA) where: Base-Base interactions energy: -427.218 where: short stacking energy: -212.890 Base-Backbone interact. energy: 6.356 local terms energy: -402.948531 where: bonds (distance) C4'-P energy: -124.696 bonds (distance) P-C4' energy: -149.315 flat angles C4'-P-C4' energy: -81.691 flat angles P-C4'-P energy: -57.845 tors. eta vs tors. theta energy: 10.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2645.861295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.861295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.861295 (E_RNA) where: Base-Base interactions energy: -1814.056 where: short stacking energy: -772.805 Base-Backbone interact. energy: -3.350 local terms energy: -828.455347 where: bonds (distance) C4'-P energy: -157.521 bonds (distance) P-C4' energy: -144.606 flat angles C4'-P-C4' energy: -176.293 flat angles P-C4'-P energy: -126.355 tors. eta vs tors. theta energy: -223.681 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: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2556.280530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.280530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.280530 (E_RNA) where: Base-Base interactions energy: -1767.204 where: short stacking energy: -743.228 Base-Backbone interact. energy: -1.457 local terms energy: -787.620036 where: bonds (distance) C4'-P energy: -129.913 bonds (distance) P-C4' energy: -151.260 flat angles C4'-P-C4' energy: -181.965 flat angles P-C4'-P energy: -110.788 tors. eta vs tors. theta energy: -213.693 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: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2470.302688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.302688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.302688 (E_RNA) where: Base-Base interactions energy: -1688.619 where: short stacking energy: -743.386 Base-Backbone interact. energy: 0.300 local terms energy: -781.983550 where: bonds (distance) C4'-P energy: -142.057 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -171.573 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -214.720 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: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2320.580229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.580229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.580229 (E_RNA) where: Base-Base interactions energy: -1580.503 where: short stacking energy: -719.369 Base-Backbone interact. energy: -2.299 local terms energy: -737.778265 where: bonds (distance) C4'-P energy: -121.105 bonds (distance) P-C4' energy: -135.176 flat angles C4'-P-C4' energy: -162.250 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -207.463 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: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2177.202530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.202530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.202530 (E_RNA) where: Base-Base interactions energy: -1510.521 where: short stacking energy: -642.161 Base-Backbone interact. energy: -3.290 local terms energy: -663.391755 where: bonds (distance) C4'-P energy: -137.627 bonds (distance) P-C4' energy: -136.441 flat angles C4'-P-C4' energy: -132.968 flat angles P-C4'-P energy: -88.769 tors. eta vs tors. theta energy: -167.586 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: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1928.018414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.018414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.018414 (E_RNA) where: Base-Base interactions energy: -1252.843 where: short stacking energy: -570.831 Base-Backbone interact. energy: 1.380 local terms energy: -676.555997 where: bonds (distance) C4'-P energy: -137.034 bonds (distance) P-C4' energy: -154.416 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -85.666 tors. eta vs tors. theta energy: -140.452 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: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1683.854706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.854706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.854706 (E_RNA) where: Base-Base interactions energy: -1087.841 where: short stacking energy: -487.987 Base-Backbone interact. energy: 1.282 local terms energy: -597.295885 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -127.823 flat angles C4'-P-C4' energy: -131.602 flat angles P-C4'-P energy: -101.324 tors. eta vs tors. theta energy: -111.740 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: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1407.074475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.074475 (E_RNA) where: Base-Base interactions energy: -892.872 where: short stacking energy: -426.914 Base-Backbone interact. energy: -3.983 local terms energy: -510.219807 where: bonds (distance) C4'-P energy: -105.360 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -116.071 flat angles P-C4'-P energy: -79.668 tors. eta vs tors. theta energy: -71.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1214.567709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.567709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.567709 (E_RNA) where: Base-Base interactions energy: -753.120 where: short stacking energy: -363.446 Base-Backbone interact. energy: -3.086 local terms energy: -458.361327 where: bonds (distance) C4'-P energy: -111.820 bonds (distance) P-C4' energy: -142.410 flat angles C4'-P-C4' energy: -109.464 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -34.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -770.572111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.572111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.572111 (E_RNA) where: Base-Base interactions energy: -350.339 where: short stacking energy: -226.015 Base-Backbone interact. energy: 2.213 local terms energy: -422.445589 where: bonds (distance) C4'-P energy: -129.075 bonds (distance) P-C4' energy: -111.708 flat angles C4'-P-C4' energy: -102.114 flat angles P-C4'-P energy: -66.082 tors. eta vs tors. theta energy: -13.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2660.165903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.165903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.165903 (E_RNA) where: Base-Base interactions energy: -1850.122 where: short stacking energy: -772.807 Base-Backbone interact. energy: -3.075 local terms energy: -806.969451 where: bonds (distance) C4'-P energy: -153.978 bonds (distance) P-C4' energy: -143.740 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -114.358 tors. eta vs tors. theta energy: -216.764 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: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2523.622822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.622822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.622822 (E_RNA) where: Base-Base interactions energy: -1753.033 where: short stacking energy: -732.719 Base-Backbone interact. energy: -4.910 local terms energy: -765.679744 where: bonds (distance) C4'-P energy: -157.887 bonds (distance) P-C4' energy: -137.766 flat angles C4'-P-C4' energy: -158.560 flat angles P-C4'-P energy: -102.648 tors. eta vs tors. theta energy: -208.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2455.773866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.773866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.773866 (E_RNA) where: Base-Base interactions energy: -1689.884 where: short stacking energy: -724.542 Base-Backbone interact. energy: 0.391 local terms energy: -766.280335 where: bonds (distance) C4'-P energy: -137.539 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -157.595 flat angles P-C4'-P energy: -111.093 tors. eta vs tors. theta energy: -213.701 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: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2330.509435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.509435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.509435 (E_RNA) where: Base-Base interactions energy: -1589.218 where: short stacking energy: -669.743 Base-Backbone interact. energy: -2.868 local terms energy: -738.423448 where: bonds (distance) C4'-P energy: -148.975 bonds (distance) P-C4' energy: -142.865 flat angles C4'-P-C4' energy: -160.574 flat angles P-C4'-P energy: -93.343 tors. eta vs tors. theta energy: -192.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2145.250425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.250425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.250425 (E_RNA) where: Base-Base interactions energy: -1450.153 where: short stacking energy: -628.863 Base-Backbone interact. energy: -0.196 local terms energy: -694.901461 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -145.675 flat angles P-C4'-P energy: -93.310 tors. eta vs tors. theta energy: -170.900 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: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1926.551519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.551519 (E_RNA) where: Base-Base interactions energy: -1278.245 where: short stacking energy: -565.938 Base-Backbone interact. energy: -1.734 local terms energy: -646.572371 where: bonds (distance) C4'-P energy: -129.778 bonds (distance) P-C4' energy: -117.475 flat angles C4'-P-C4' energy: -161.702 flat angles P-C4'-P energy: -94.425 tors. eta vs tors. theta energy: -143.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1659.123724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.123724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.123724 (E_RNA) where: Base-Base interactions energy: -1090.928 where: short stacking energy: -483.123 Base-Backbone interact. energy: -3.124 local terms energy: -565.071171 where: bonds (distance) C4'-P energy: -114.725 bonds (distance) P-C4' energy: -129.778 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -103.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1407.830284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.830284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.830284 (E_RNA) where: Base-Base interactions energy: -847.653 where: short stacking energy: -396.620 Base-Backbone interact. energy: -1.820 local terms energy: -558.357412 where: bonds (distance) C4'-P energy: -140.207 bonds (distance) P-C4' energy: -145.236 flat angles C4'-P-C4' energy: -142.887 flat angles P-C4'-P energy: -65.578 tors. eta vs tors. theta energy: -64.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1153.588960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.588960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.588960 (E_RNA) where: Base-Base interactions energy: -672.602 where: short stacking energy: -326.012 Base-Backbone interact. energy: 0.790 local terms energy: -481.776824 where: bonds (distance) C4'-P energy: -128.881 bonds (distance) P-C4' energy: -125.758 flat angles C4'-P-C4' energy: -110.627 flat angles P-C4'-P energy: -63.482 tors. eta vs tors. theta energy: -53.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -743.345886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.345886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.345886 (E_RNA) where: Base-Base interactions energy: -316.708 where: short stacking energy: -178.784 Base-Backbone interact. energy: 1.396 local terms energy: -428.034143 where: bonds (distance) C4'-P energy: -125.641 bonds (distance) P-C4' energy: -132.389 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: 1.439 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: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2642.040992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.040992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.040992 (E_RNA) where: Base-Base interactions energy: -1844.237 where: short stacking energy: -777.626 Base-Backbone interact. energy: -3.286 local terms energy: -794.518370 where: bonds (distance) C4'-P energy: -142.674 bonds (distance) P-C4' energy: -155.265 flat angles C4'-P-C4' energy: -182.472 flat angles P-C4'-P energy: -114.164 tors. eta vs tors. theta energy: -199.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2530.478556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.478556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.478556 (E_RNA) where: Base-Base interactions energy: -1734.247 where: short stacking energy: -718.839 Base-Backbone interact. energy: -4.986 local terms energy: -791.244913 where: bonds (distance) C4'-P energy: -146.955 bonds (distance) P-C4' energy: -146.033 flat angles C4'-P-C4' energy: -184.838 flat angles P-C4'-P energy: -113.594 tors. eta vs tors. theta energy: -199.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2482.725327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.725327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.725327 (E_RNA) where: Base-Base interactions energy: -1692.123 where: short stacking energy: -760.350 Base-Backbone interact. energy: 0.353 local terms energy: -790.955000 where: bonds (distance) C4'-P energy: -143.779 bonds (distance) P-C4' energy: -143.321 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -223.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2338.049567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.049567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.049567 (E_RNA) where: Base-Base interactions energy: -1592.289 where: short stacking energy: -691.990 Base-Backbone interact. energy: 1.392 local terms energy: -747.152397 where: bonds (distance) C4'-P energy: -140.877 bonds (distance) P-C4' energy: -140.325 flat angles C4'-P-C4' energy: -159.144 flat angles P-C4'-P energy: -97.615 tors. eta vs tors. theta energy: -209.192 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: 193 Temperature: 1.100000 Total energy: -2125.417629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.417629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.417629 (E_RNA) where: Base-Base interactions energy: -1464.698 where: short stacking energy: -587.847 Base-Backbone interact. energy: -3.439 local terms energy: -657.280318 where: bonds (distance) C4'-P energy: -131.367 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -139.571 flat angles P-C4'-P energy: -90.265 tors. eta vs tors. theta energy: -157.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1921.027939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.027939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.027939 (E_RNA) where: Base-Base interactions energy: -1275.050 where: short stacking energy: -555.130 Base-Backbone interact. energy: -3.707 local terms energy: -642.270724 where: bonds (distance) C4'-P energy: -138.624 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -148.809 flat angles P-C4'-P energy: -91.812 tors. eta vs tors. theta energy: -126.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1628.331685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.331685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.331685 (E_RNA) where: Base-Base interactions energy: -1043.661 where: short stacking energy: -466.424 Base-Backbone interact. energy: -3.056 local terms energy: -581.615230 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -134.230 flat angles C4'-P-C4' energy: -140.343 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -112.923 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: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1401.314982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.314982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.314982 (E_RNA) where: Base-Base interactions energy: -864.681 where: short stacking energy: -396.253 Base-Backbone interact. energy: 4.118 local terms energy: -540.752484 where: bonds (distance) C4'-P energy: -131.361 bonds (distance) P-C4' energy: -140.625 flat angles C4'-P-C4' energy: -135.565 flat angles P-C4'-P energy: -79.113 tors. eta vs tors. theta energy: -54.088 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: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1163.636198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.636198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.636198 (E_RNA) where: Base-Base interactions energy: -700.243 where: short stacking energy: -339.911 Base-Backbone interact. energy: -5.944 local terms energy: -457.449693 where: bonds (distance) C4'-P energy: -110.281 bonds (distance) P-C4' energy: -126.549 flat angles C4'-P-C4' energy: -115.835 flat angles P-C4'-P energy: -64.507 tors. eta vs tors. theta energy: -40.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -739.128595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.128595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.128595 (E_RNA) where: Base-Base interactions energy: -332.311 where: short stacking energy: -213.924 Base-Backbone interact. energy: -0.146 local terms energy: -406.671385 where: bonds (distance) C4'-P energy: -120.083 bonds (distance) P-C4' energy: -131.029 flat angles C4'-P-C4' energy: -95.626 flat angles P-C4'-P energy: -63.444 tors. eta vs tors. theta energy: 3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2603.235738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.235738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.235738 (E_RNA) where: Base-Base interactions energy: -1798.884 where: short stacking energy: -757.024 Base-Backbone interact. energy: -4.032 local terms energy: -800.319859 where: bonds (distance) C4'-P energy: -144.396 bonds (distance) P-C4' energy: -161.821 flat angles C4'-P-C4' energy: -172.005 flat angles P-C4'-P energy: -107.268 tors. eta vs tors. theta energy: -214.829 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: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2530.004685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.004685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.004685 (E_RNA) where: Base-Base interactions energy: -1768.708 where: short stacking energy: -709.001 Base-Backbone interact. energy: 3.251 local terms energy: -764.548488 where: bonds (distance) C4'-P energy: -142.554 bonds (distance) P-C4' energy: -167.195 flat angles C4'-P-C4' energy: -166.136 flat angles P-C4'-P energy: -103.725 tors. eta vs tors. theta energy: -184.938 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: 3, replica: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2454.376974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.376974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.376974 (E_RNA) where: Base-Base interactions energy: -1646.848 where: short stacking energy: -713.763 Base-Backbone interact. energy: -3.418 local terms energy: -804.110315 where: bonds (distance) C4'-P energy: -149.348 bonds (distance) P-C4' energy: -153.508 flat angles C4'-P-C4' energy: -179.344 flat angles P-C4'-P energy: -119.287 tors. eta vs tors. theta energy: -202.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2298.952605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.952605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.952605 (E_RNA) where: Base-Base interactions energy: -1557.504 where: short stacking energy: -677.903 Base-Backbone interact. energy: -2.506 local terms energy: -738.942748 where: bonds (distance) C4'-P energy: -125.200 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -165.397 flat angles P-C4'-P energy: -103.484 tors. eta vs tors. theta energy: -200.626 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: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2198.835758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.835758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.835758 (E_RNA) where: Base-Base interactions energy: -1520.174 where: short stacking energy: -640.200 Base-Backbone interact. energy: 1.435 local terms energy: -680.096779 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -119.018 flat angles C4'-P-C4' energy: -165.487 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -164.972 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: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1940.206553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.206553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.206553 (E_RNA) where: Base-Base interactions energy: -1266.330 where: short stacking energy: -555.411 Base-Backbone interact. energy: -2.101 local terms energy: -671.775402 where: bonds (distance) C4'-P energy: -122.145 bonds (distance) P-C4' energy: -151.376 flat angles C4'-P-C4' energy: -139.507 flat angles P-C4'-P energy: -103.965 tors. eta vs tors. theta energy: -154.783 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: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1640.022317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.022317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.022317 (E_RNA) where: Base-Base interactions energy: -1073.088 where: short stacking energy: -493.215 Base-Backbone interact. energy: 1.589 local terms energy: -568.522966 where: bonds (distance) C4'-P energy: -120.287 bonds (distance) P-C4' energy: -113.401 flat angles C4'-P-C4' energy: -141.722 flat angles P-C4'-P energy: -94.359 tors. eta vs tors. theta energy: -98.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1341.292715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.292715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.292715 (E_RNA) where: Base-Base interactions energy: -836.618 where: short stacking energy: -378.276 Base-Backbone interact. energy: 2.706 local terms energy: -507.380985 where: bonds (distance) C4'-P energy: -117.440 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -125.408 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -60.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1142.497763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.497763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.497763 (E_RNA) where: Base-Base interactions energy: -645.568 where: short stacking energy: -310.073 Base-Backbone interact. energy: 0.310 local terms energy: -497.239876 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -136.006 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -69.439 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: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -756.566156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.566156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.566156 (E_RNA) where: Base-Base interactions energy: -376.743 where: short stacking energy: -207.457 Base-Backbone interact. energy: 7.683 local terms energy: -387.505760 where: bonds (distance) C4'-P energy: -121.043 bonds (distance) P-C4' energy: -142.133 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: 11.848 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: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2637.725725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.725725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.725725 (E_RNA) where: Base-Base interactions energy: -1830.695 where: short stacking energy: -765.849 Base-Backbone interact. energy: -6.441 local terms energy: -800.589958 where: bonds (distance) C4'-P energy: -131.096 bonds (distance) P-C4' energy: -165.197 flat angles C4'-P-C4' energy: -177.266 flat angles P-C4'-P energy: -117.983 tors. eta vs tors. theta energy: -209.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2571.094157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.094157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.094157 (E_RNA) where: Base-Base interactions energy: -1787.191 where: short stacking energy: -730.451 Base-Backbone interact. energy: -6.377 local terms energy: -777.525354 where: bonds (distance) C4'-P energy: -149.320 bonds (distance) P-C4' energy: -145.850 flat angles C4'-P-C4' energy: -175.778 flat angles P-C4'-P energy: -105.281 tors. eta vs tors. theta energy: -201.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2459.959976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.959976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.959976 (E_RNA) where: Base-Base interactions energy: -1662.991 where: short stacking energy: -729.819 Base-Backbone interact. energy: 0.974 local terms energy: -797.943516 where: bonds (distance) C4'-P energy: -145.113 bonds (distance) P-C4' energy: -145.551 flat angles C4'-P-C4' energy: -167.192 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -219.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2246.467299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.467299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.467299 (E_RNA) where: Base-Base interactions energy: -1546.471 where: short stacking energy: -656.304 Base-Backbone interact. energy: 0.483 local terms energy: -700.479285 where: bonds (distance) C4'-P energy: -144.785 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -153.309 flat angles P-C4'-P energy: -95.417 tors. eta vs tors. theta energy: -156.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2213.410516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.410516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.410516 (E_RNA) where: Base-Base interactions energy: -1484.495 where: short stacking energy: -662.972 Base-Backbone interact. energy: 0.081 local terms energy: -728.996882 where: bonds (distance) C4'-P energy: -129.689 bonds (distance) P-C4' energy: -142.623 flat angles C4'-P-C4' energy: -146.716 flat angles P-C4'-P energy: -117.625 tors. eta vs tors. theta energy: -192.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1954.381759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.381759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.381759 (E_RNA) where: Base-Base interactions energy: -1300.232 where: short stacking energy: -560.353 Base-Backbone interact. energy: -5.333 local terms energy: -648.816339 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -157.782 flat angles C4'-P-C4' energy: -136.158 flat angles P-C4'-P energy: -91.477 tors. eta vs tors. theta energy: -134.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1616.500959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.500959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.500959 (E_RNA) where: Base-Base interactions energy: -1019.234 where: short stacking energy: -447.809 Base-Backbone interact. energy: -2.418 local terms energy: -594.849252 where: bonds (distance) C4'-P energy: -136.174 bonds (distance) P-C4' energy: -116.517 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -108.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1377.661914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.661914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.661914 (E_RNA) where: Base-Base interactions energy: -816.428 where: short stacking energy: -395.120 Base-Backbone interact. energy: -3.408 local terms energy: -557.825848 where: bonds (distance) C4'-P energy: -128.016 bonds (distance) P-C4' energy: -135.315 flat angles C4'-P-C4' energy: -133.955 flat angles P-C4'-P energy: -87.146 tors. eta vs tors. theta energy: -73.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1155.380588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.380588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.380588 (E_RNA) where: Base-Base interactions energy: -697.512 where: short stacking energy: -313.802 Base-Backbone interact. energy: -1.484 local terms energy: -456.384738 where: bonds (distance) C4'-P energy: -124.359 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -128.309 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -18.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -701.315067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.315067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.315067 (E_RNA) where: Base-Base interactions energy: -277.964 where: short stacking energy: -179.733 Base-Backbone interact. energy: -1.810 local terms energy: -421.540983 where: bonds (distance) C4'-P energy: -121.362 bonds (distance) P-C4' energy: -146.483 flat angles C4'-P-C4' energy: -113.399 flat angles P-C4'-P energy: -56.964 tors. eta vs tors. theta energy: 16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2691.354445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.354445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.354445 (E_RNA) where: Base-Base interactions energy: -1871.381 where: short stacking energy: -786.350 Base-Backbone interact. energy: -3.016 local terms energy: -816.957535 where: bonds (distance) C4'-P energy: -154.135 bonds (distance) P-C4' energy: -153.460 flat angles C4'-P-C4' energy: -175.710 flat angles P-C4'-P energy: -121.496 tors. eta vs tors. theta energy: -212.155 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: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2530.472492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.472492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.472492 (E_RNA) where: Base-Base interactions energy: -1734.111 where: short stacking energy: -702.417 Base-Backbone interact. energy: -4.829 local terms energy: -791.532970 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -151.981 flat angles C4'-P-C4' energy: -173.583 flat angles P-C4'-P energy: -105.751 tors. eta vs tors. theta energy: -200.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2456.982074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.982074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.982074 (E_RNA) where: Base-Base interactions energy: -1674.917 where: short stacking energy: -714.092 Base-Backbone interact. energy: -2.557 local terms energy: -779.508294 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -159.813 flat angles C4'-P-C4' energy: -165.589 flat angles P-C4'-P energy: -117.609 tors. eta vs tors. theta energy: -203.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2300.346936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.346936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.346936 (E_RNA) where: Base-Base interactions energy: -1585.219 where: short stacking energy: -689.671 Base-Backbone interact. energy: -2.446 local terms energy: -712.681848 where: bonds (distance) C4'-P energy: -122.150 bonds (distance) P-C4' energy: -136.312 flat angles C4'-P-C4' energy: -161.482 flat angles P-C4'-P energy: -108.472 tors. eta vs tors. theta energy: -184.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2192.267176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.267176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.267176 (E_RNA) where: Base-Base interactions energy: -1467.602 where: short stacking energy: -657.343 Base-Backbone interact. energy: -2.818 local terms energy: -721.847459 where: bonds (distance) C4'-P energy: -138.728 bonds (distance) P-C4' energy: -126.805 flat angles C4'-P-C4' energy: -163.747 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -197.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1968.112685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.112685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.112685 (E_RNA) where: Base-Base interactions energy: -1336.055 where: short stacking energy: -583.842 Base-Backbone interact. energy: -3.103 local terms energy: -628.954055 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -129.454 flat angles C4'-P-C4' energy: -141.941 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -159.726 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: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1647.442649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.442649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.442649 (E_RNA) where: Base-Base interactions energy: -1050.292 where: short stacking energy: -488.441 Base-Backbone interact. energy: -2.393 local terms energy: -594.757839 where: bonds (distance) C4'-P energy: -126.349 bonds (distance) P-C4' energy: -143.090 flat angles C4'-P-C4' energy: -135.216 flat angles P-C4'-P energy: -96.691 tors. eta vs tors. theta energy: -93.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1330.325667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.325667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.325667 (E_RNA) where: Base-Base interactions energy: -806.088 where: short stacking energy: -403.827 Base-Backbone interact. energy: 0.207 local terms energy: -524.445151 where: bonds (distance) C4'-P energy: -127.663 bonds (distance) P-C4' energy: -126.018 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -70.531 tors. eta vs tors. theta energy: -65.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1181.594250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.594250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.594250 (E_RNA) where: Base-Base interactions energy: -746.411 where: short stacking energy: -355.506 Base-Backbone interact. energy: 0.648 local terms energy: -435.831633 where: bonds (distance) C4'-P energy: -121.315 bonds (distance) P-C4' energy: -105.031 flat angles C4'-P-C4' energy: -123.859 flat angles P-C4'-P energy: -40.800 tors. eta vs tors. theta energy: -44.825 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: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -738.557020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.557020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.557020 (E_RNA) where: Base-Base interactions energy: -321.061 where: short stacking energy: -202.032 Base-Backbone interact. energy: 2.964 local terms energy: -420.459225 where: bonds (distance) C4'-P energy: -125.025 bonds (distance) P-C4' energy: -119.655 flat angles C4'-P-C4' energy: -113.784 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: 15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2646.436304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.436304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.436304 (E_RNA) where: Base-Base interactions energy: -1827.827 where: short stacking energy: -760.433 Base-Backbone interact. energy: -1.809 local terms energy: -816.800295 where: bonds (distance) C4'-P energy: -151.900 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -182.063 flat angles P-C4'-P energy: -103.236 tors. eta vs tors. theta energy: -216.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2536.422681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.422681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.422681 (E_RNA) where: Base-Base interactions energy: -1734.095 where: short stacking energy: -719.514 Base-Backbone interact. energy: -2.872 local terms energy: -799.455781 where: bonds (distance) C4'-P energy: -159.058 bonds (distance) P-C4' energy: -151.859 flat angles C4'-P-C4' energy: -175.039 flat angles P-C4'-P energy: -113.119 tors. eta vs tors. theta energy: -200.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2441.471140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.471140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.471140 (E_RNA) where: Base-Base interactions energy: -1666.352 where: short stacking energy: -723.586 Base-Backbone interact. energy: -1.883 local terms energy: -773.235801 where: bonds (distance) C4'-P energy: -140.568 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -172.164 flat angles P-C4'-P energy: -112.159 tors. eta vs tors. theta energy: -202.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2286.781687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.781687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.781687 (E_RNA) where: Base-Base interactions energy: -1541.347 where: short stacking energy: -655.210 Base-Backbone interact. energy: 5.981 local terms energy: -751.415930 where: bonds (distance) C4'-P energy: -153.464 bonds (distance) P-C4' energy: -156.258 flat angles C4'-P-C4' energy: -156.968 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -176.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2263.730763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.730763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.730763 (E_RNA) where: Base-Base interactions energy: -1526.478 where: short stacking energy: -701.340 Base-Backbone interact. energy: -1.498 local terms energy: -735.755473 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -143.478 flat angles C4'-P-C4' energy: -157.806 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -194.972 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: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1869.581361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.581361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.581361 (E_RNA) where: Base-Base interactions energy: -1227.126 where: short stacking energy: -540.012 Base-Backbone interact. energy: 1.026 local terms energy: -643.481502 where: bonds (distance) C4'-P energy: -142.582 bonds (distance) P-C4' energy: -140.681 flat angles C4'-P-C4' energy: -132.722 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -133.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1649.525849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.525849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.525849 (E_RNA) where: Base-Base interactions energy: -1090.095 where: short stacking energy: -510.391 Base-Backbone interact. energy: 6.335 local terms energy: -565.765316 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -119.157 flat angles C4'-P-C4' energy: -141.084 flat angles P-C4'-P energy: -56.339 tors. eta vs tors. theta energy: -122.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1338.922095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.922095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.922095 (E_RNA) where: Base-Base interactions energy: -804.140 where: short stacking energy: -376.838 Base-Backbone interact. energy: 4.117 local terms energy: -538.899184 where: bonds (distance) C4'-P energy: -126.045 bonds (distance) P-C4' energy: -129.502 flat angles C4'-P-C4' energy: -138.774 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -65.109 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1201.482482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.482482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.482482 (E_RNA) where: Base-Base interactions energy: -714.951 where: short stacking energy: -364.003 Base-Backbone interact. energy: -1.119 local terms energy: -485.411650 where: bonds (distance) C4'-P energy: -121.325 bonds (distance) P-C4' energy: -116.076 flat angles C4'-P-C4' energy: -123.760 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -64.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -653.489204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.489204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.489204 (E_RNA) where: Base-Base interactions energy: -270.327 where: short stacking energy: -184.072 Base-Backbone interact. energy: 1.762 local terms energy: -384.924382 where: bonds (distance) C4'-P energy: -116.275 bonds (distance) P-C4' energy: -137.282 flat angles C4'-P-C4' energy: -109.949 flat angles P-C4'-P energy: -41.108 tors. eta vs tors. theta energy: 19.690 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: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2659.307520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.307520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.307520 (E_RNA) where: Base-Base interactions energy: -1866.498 where: short stacking energy: -764.812 Base-Backbone interact. energy: -4.517 local terms energy: -788.291812 where: bonds (distance) C4'-P energy: -136.102 bonds (distance) P-C4' energy: -155.113 flat angles C4'-P-C4' energy: -169.235 flat angles P-C4'-P energy: -117.233 tors. eta vs tors. theta energy: -210.610 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: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2544.374772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.374772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.374772 (E_RNA) where: Base-Base interactions energy: -1777.464 where: short stacking energy: -747.585 Base-Backbone interact. energy: -6.601 local terms energy: -760.310319 where: bonds (distance) C4'-P energy: -144.795 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -164.780 flat angles P-C4'-P energy: -96.274 tors. eta vs tors. theta energy: -198.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2429.283421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.283421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.283421 (E_RNA) where: Base-Base interactions energy: -1667.215 where: short stacking energy: -695.294 Base-Backbone interact. energy: -2.499 local terms energy: -759.569126 where: bonds (distance) C4'-P energy: -152.531 bonds (distance) P-C4' energy: -127.984 flat angles C4'-P-C4' energy: -166.576 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -203.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2338.466115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.466115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.466115 (E_RNA) where: Base-Base interactions energy: -1609.097 where: short stacking energy: -686.978 Base-Backbone interact. energy: 1.803 local terms energy: -731.171589 where: bonds (distance) C4'-P energy: -141.530 bonds (distance) P-C4' energy: -131.102 flat angles C4'-P-C4' energy: -165.823 flat angles P-C4'-P energy: -95.685 tors. eta vs tors. theta energy: -197.031 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: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2195.375187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.375187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.375187 (E_RNA) where: Base-Base interactions energy: -1497.945 where: short stacking energy: -660.647 Base-Backbone interact. energy: -1.828 local terms energy: -695.601503 where: bonds (distance) C4'-P energy: -111.634 bonds (distance) P-C4' energy: -141.866 flat angles C4'-P-C4' energy: -152.345 flat angles P-C4'-P energy: -110.315 tors. eta vs tors. theta energy: -179.443 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: 6, replica: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1919.302795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.302795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.302795 (E_RNA) where: Base-Base interactions energy: -1260.034 where: short stacking energy: -553.122 Base-Backbone interact. energy: 0.502 local terms energy: -659.771328 where: bonds (distance) C4'-P energy: -148.023 bonds (distance) P-C4' energy: -139.653 flat angles C4'-P-C4' energy: -144.794 flat angles P-C4'-P energy: -84.060 tors. eta vs tors. theta energy: -143.241 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1652.931260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.931260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.931260 (E_RNA) where: Base-Base interactions energy: -1094.425 where: short stacking energy: -473.915 Base-Backbone interact. energy: 1.488 local terms energy: -559.994938 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -135.234 flat angles C4'-P-C4' energy: -126.608 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -97.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1354.579441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.579441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.579441 (E_RNA) where: Base-Base interactions energy: -839.187 where: short stacking energy: -418.537 Base-Backbone interact. energy: -0.854 local terms energy: -514.537830 where: bonds (distance) C4'-P energy: -127.016 bonds (distance) P-C4' energy: -130.581 flat angles C4'-P-C4' energy: -117.199 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -67.988 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: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1105.998668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.998668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.998668 (E_RNA) where: Base-Base interactions energy: -635.900 where: short stacking energy: -320.732 Base-Backbone interact. energy: -4.821 local terms energy: -465.278434 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -121.245 flat angles C4'-P-C4' energy: -116.674 flat angles P-C4'-P energy: -71.305 tors. eta vs tors. theta energy: -35.549 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: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -679.026379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.026379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.026379 (E_RNA) where: Base-Base interactions energy: -299.099 where: short stacking energy: -199.194 Base-Backbone interact. energy: 3.837 local terms energy: -383.764697 where: bonds (distance) C4'-P energy: -101.984 bonds (distance) P-C4' energy: -121.908 flat angles C4'-P-C4' energy: -110.855 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: 26.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2665.804522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.804522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.804522 (E_RNA) where: Base-Base interactions energy: -1847.756 where: short stacking energy: -741.552 Base-Backbone interact. energy: -4.727 local terms energy: -813.321047 where: bonds (distance) C4'-P energy: -151.487 bonds (distance) P-C4' energy: -167.430 flat angles C4'-P-C4' energy: -178.473 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -206.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2564.621233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.621233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.621233 (E_RNA) where: Base-Base interactions energy: -1785.662 where: short stacking energy: -725.277 Base-Backbone interact. energy: -6.731 local terms energy: -772.228913 where: bonds (distance) C4'-P energy: -151.620 bonds (distance) P-C4' energy: -160.104 flat angles C4'-P-C4' energy: -164.762 flat angles P-C4'-P energy: -101.803 tors. eta vs tors. theta energy: -193.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2425.650729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.650729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.650729 (E_RNA) where: Base-Base interactions energy: -1621.793 where: short stacking energy: -733.594 Base-Backbone interact. energy: 1.935 local terms energy: -805.793337 where: bonds (distance) C4'-P energy: -145.951 bonds (distance) P-C4' energy: -166.645 flat angles C4'-P-C4' energy: -163.025 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -215.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2313.483033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.483033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.483033 (E_RNA) where: Base-Base interactions energy: -1575.397 where: short stacking energy: -670.120 Base-Backbone interact. energy: -1.271 local terms energy: -736.814649 where: bonds (distance) C4'-P energy: -145.459 bonds (distance) P-C4' energy: -125.859 flat angles C4'-P-C4' energy: -160.862 flat angles P-C4'-P energy: -111.186 tors. eta vs tors. theta energy: -193.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2177.819098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.819098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.819098 (E_RNA) where: Base-Base interactions energy: -1485.701 where: short stacking energy: -646.619 Base-Backbone interact. energy: 0.653 local terms energy: -692.770833 where: bonds (distance) C4'-P energy: -130.032 bonds (distance) P-C4' energy: -120.535 flat angles C4'-P-C4' energy: -148.870 flat angles P-C4'-P energy: -99.248 tors. eta vs tors. theta energy: -194.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1913.481828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.481828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.481828 (E_RNA) where: Base-Base interactions energy: -1278.616 where: short stacking energy: -552.612 Base-Backbone interact. energy: -1.120 local terms energy: -633.745648 where: bonds (distance) C4'-P energy: -121.819 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -142.800 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -141.746 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: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1688.911972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.911972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.911972 (E_RNA) where: Base-Base interactions energy: -1111.621 where: short stacking energy: -485.998 Base-Backbone interact. energy: 0.000 local terms energy: -577.290503 where: bonds (distance) C4'-P energy: -130.037 bonds (distance) P-C4' energy: -123.952 flat angles C4'-P-C4' energy: -139.133 flat angles P-C4'-P energy: -83.032 tors. eta vs tors. theta energy: -101.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1329.645812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.645812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.645812 (E_RNA) where: Base-Base interactions energy: -818.406 where: short stacking energy: -398.401 Base-Backbone interact. energy: -3.410 local terms energy: -507.829252 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -132.827 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -76.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1158.539147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.539147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.539147 (E_RNA) where: Base-Base interactions energy: -707.401 where: short stacking energy: -340.588 Base-Backbone interact. energy: -0.081 local terms energy: -451.057548 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -118.701 flat angles P-C4'-P energy: -64.145 tors. eta vs tors. theta energy: -39.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -692.658378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.658378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.658378 (E_RNA) where: Base-Base interactions energy: -275.143 where: short stacking energy: -165.691 Base-Backbone interact. energy: -1.439 local terms energy: -416.076673 where: bonds (distance) C4'-P energy: -113.107 bonds (distance) P-C4' energy: -148.552 flat angles C4'-P-C4' energy: -103.744 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: 11.887 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: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2656.299318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.299318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.299318 (E_RNA) where: Base-Base interactions energy: -1870.093 where: short stacking energy: -755.984 Base-Backbone interact. energy: -1.422 local terms energy: -784.784177 where: bonds (distance) C4'-P energy: -142.879 bonds (distance) P-C4' energy: -160.132 flat angles C4'-P-C4' energy: -170.608 flat angles P-C4'-P energy: -106.273 tors. eta vs tors. theta energy: -204.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2548.371634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.371634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.371634 (E_RNA) where: Base-Base interactions energy: -1801.387 where: short stacking energy: -714.224 Base-Backbone interact. energy: 0.373 local terms energy: -747.357465 where: bonds (distance) C4'-P energy: -155.796 bonds (distance) P-C4' energy: -147.691 flat angles C4'-P-C4' energy: -160.883 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -193.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2438.933069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.933069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.933069 (E_RNA) where: Base-Base interactions energy: -1673.872 where: short stacking energy: -717.345 Base-Backbone interact. energy: -3.022 local terms energy: -762.038616 where: bonds (distance) C4'-P energy: -133.601 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -167.936 flat angles P-C4'-P energy: -118.763 tors. eta vs tors. theta energy: -204.465 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: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2326.185767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.185767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.185767 (E_RNA) where: Base-Base interactions energy: -1602.407 where: short stacking energy: -658.357 Base-Backbone interact. energy: -2.369 local terms energy: -721.409605 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -150.928 flat angles P-C4'-P energy: -107.605 tors. eta vs tors. theta energy: -185.623 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: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2245.225049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.225049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.225049 (E_RNA) where: Base-Base interactions energy: -1515.680 where: short stacking energy: -664.581 Base-Backbone interact. energy: -2.811 local terms energy: -726.733673 where: bonds (distance) C4'-P energy: -139.073 bonds (distance) P-C4' energy: -140.445 flat angles C4'-P-C4' energy: -162.737 flat angles P-C4'-P energy: -91.847 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: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1976.439125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.439125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.439125 (E_RNA) where: Base-Base interactions energy: -1312.912 where: short stacking energy: -567.616 Base-Backbone interact. energy: -1.085 local terms energy: -662.442335 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -119.361 flat angles C4'-P-C4' energy: -142.240 flat angles P-C4'-P energy: -109.609 tors. eta vs tors. theta energy: -150.273 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: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1679.786878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.786878 (E_RNA) where: Base-Base interactions energy: -1094.654 where: short stacking energy: -462.914 Base-Backbone interact. energy: -3.554 local terms energy: -581.578279 where: bonds (distance) C4'-P energy: -125.178 bonds (distance) P-C4' energy: -128.363 flat angles C4'-P-C4' energy: -143.998 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -106.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1430.429865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.429865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.429865 (E_RNA) where: Base-Base interactions energy: -939.980 where: short stacking energy: -448.667 Base-Backbone interact. energy: 4.163 local terms energy: -494.612827 where: bonds (distance) C4'-P energy: -115.669 bonds (distance) P-C4' energy: -112.117 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -74.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1129.689571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.689571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.689571 (E_RNA) where: Base-Base interactions energy: -647.205 where: short stacking energy: -308.687 Base-Backbone interact. energy: 1.690 local terms energy: -484.175062 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -131.889 flat angles C4'-P-C4' energy: -129.615 flat angles P-C4'-P energy: -89.842 tors. eta vs tors. theta energy: -30.860 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: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -695.818865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.818865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.818865 (E_RNA) where: Base-Base interactions energy: -289.453 where: short stacking energy: -201.735 Base-Backbone interact. energy: -2.967 local terms energy: -403.399027 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -133.199 flat angles C4'-P-C4' energy: -111.874 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: 17.702 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2689.715782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.715782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.715782 (E_RNA) where: Base-Base interactions energy: -1865.840 where: short stacking energy: -755.191 Base-Backbone interact. energy: -3.780 local terms energy: -820.096450 where: bonds (distance) C4'-P energy: -162.115 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -179.665 flat angles P-C4'-P energy: -111.337 tors. eta vs tors. theta energy: -208.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2558.769245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.769245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.769245 (E_RNA) where: Base-Base interactions energy: -1805.139 where: short stacking energy: -703.985 Base-Backbone interact. energy: 0.170 local terms energy: -753.800582 where: bonds (distance) C4'-P energy: -156.160 bonds (distance) P-C4' energy: -153.716 flat angles C4'-P-C4' energy: -158.669 flat angles P-C4'-P energy: -90.188 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2405.063334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.063334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.063334 (E_RNA) where: Base-Base interactions energy: -1674.665 where: short stacking energy: -724.182 Base-Backbone interact. energy: 2.691 local terms energy: -733.089241 where: bonds (distance) C4'-P energy: -126.897 bonds (distance) P-C4' energy: -115.802 flat angles C4'-P-C4' energy: -162.584 flat angles P-C4'-P energy: -124.920 tors. eta vs tors. theta energy: -202.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2310.174523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.174523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.174523 (E_RNA) where: Base-Base interactions energy: -1587.155 where: short stacking energy: -688.861 Base-Backbone interact. energy: -1.101 local terms energy: -721.918115 where: bonds (distance) C4'-P energy: -136.229 bonds (distance) P-C4' energy: -133.078 flat angles C4'-P-C4' energy: -162.334 flat angles P-C4'-P energy: -104.180 tors. eta vs tors. theta energy: -186.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2183.775853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.775853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.775853 (E_RNA) where: Base-Base interactions energy: -1504.677 where: short stacking energy: -658.681 Base-Backbone interact. energy: -1.163 local terms energy: -677.935594 where: bonds (distance) C4'-P energy: -128.842 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -91.623 tors. eta vs tors. theta energy: -190.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1953.726824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.726824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.726824 (E_RNA) where: Base-Base interactions energy: -1293.356 where: short stacking energy: -570.325 Base-Backbone interact. energy: -1.909 local terms energy: -658.461755 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -131.369 flat angles P-C4'-P energy: -98.850 tors. eta vs tors. theta energy: -159.418 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: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1712.109557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.109557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.109557 (E_RNA) where: Base-Base interactions energy: -1121.518 where: short stacking energy: -492.270 Base-Backbone interact. energy: -1.377 local terms energy: -589.214312 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -128.626 flat angles C4'-P-C4' energy: -123.437 flat angles P-C4'-P energy: -87.828 tors. eta vs tors. theta energy: -108.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1458.046701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.046701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.046701 (E_RNA) where: Base-Base interactions energy: -900.979 where: short stacking energy: -425.206 Base-Backbone interact. energy: 0.172 local terms energy: -557.238960 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -141.038 flat angles P-C4'-P energy: -83.684 tors. eta vs tors. theta energy: -83.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1087.318749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.318749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.318749 (E_RNA) where: Base-Base interactions energy: -631.824 where: short stacking energy: -304.813 Base-Backbone interact. energy: 4.557 local terms energy: -460.051765 where: bonds (distance) C4'-P energy: -112.281 bonds (distance) P-C4' energy: -118.676 flat angles C4'-P-C4' energy: -121.838 flat angles P-C4'-P energy: -77.023 tors. eta vs tors. theta energy: -30.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -714.951049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.951049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.951049 (E_RNA) where: Base-Base interactions energy: -354.491 where: short stacking energy: -198.273 Base-Backbone interact. energy: 9.466 local terms energy: -369.925856 where: bonds (distance) C4'-P energy: -92.372 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -111.464 flat angles P-C4'-P energy: -62.334 tors. eta vs tors. theta energy: 8.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2687.964115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.964115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.964115 (E_RNA) where: Base-Base interactions energy: -1875.695 where: short stacking energy: -761.031 Base-Backbone interact. energy: -3.604 local terms energy: -808.664411 where: bonds (distance) C4'-P energy: -145.879 bonds (distance) P-C4' energy: -164.167 flat angles C4'-P-C4' energy: -175.178 flat angles P-C4'-P energy: -118.924 tors. eta vs tors. theta energy: -204.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2578.026837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.026837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.026837 (E_RNA) where: Base-Base interactions energy: -1800.821 where: short stacking energy: -721.878 Base-Backbone interact. energy: 1.153 local terms energy: -778.358769 where: bonds (distance) C4'-P energy: -137.346 bonds (distance) P-C4' energy: -146.958 flat angles C4'-P-C4' energy: -179.019 flat angles P-C4'-P energy: -116.875 tors. eta vs tors. theta energy: -198.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2400.465101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.465101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.465101 (E_RNA) where: Base-Base interactions energy: -1640.156 where: short stacking energy: -691.009 Base-Backbone interact. energy: 0.839 local terms energy: -761.148358 where: bonds (distance) C4'-P energy: -138.893 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -161.206 flat angles P-C4'-P energy: -117.180 tors. eta vs tors. theta energy: -196.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2223.731204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.731204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.731204 (E_RNA) where: Base-Base interactions energy: -1521.836 where: short stacking energy: -638.738 Base-Backbone interact. energy: 2.512 local terms energy: -704.407069 where: bonds (distance) C4'-P energy: -144.194 bonds (distance) P-C4' energy: -142.778 flat angles C4'-P-C4' energy: -158.190 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -168.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2191.353542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.353542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.353542 (E_RNA) where: Base-Base interactions energy: -1421.114 where: short stacking energy: -635.254 Base-Backbone interact. energy: -1.989 local terms energy: -768.250474 where: bonds (distance) C4'-P energy: -134.773 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -168.463 flat angles P-C4'-P energy: -121.742 tors. eta vs tors. theta energy: -192.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1900.205571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.205571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.205571 (E_RNA) where: Base-Base interactions energy: -1257.486 where: short stacking energy: -568.322 Base-Backbone interact. energy: 2.367 local terms energy: -645.086016 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -147.347 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -137.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1691.653014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.653014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.653014 (E_RNA) where: Base-Base interactions energy: -1148.625 where: short stacking energy: -528.912 Base-Backbone interact. energy: 0.480 local terms energy: -543.507795 where: bonds (distance) C4'-P energy: -129.710 bonds (distance) P-C4' energy: -107.467 flat angles C4'-P-C4' energy: -121.003 flat angles P-C4'-P energy: -76.920 tors. eta vs tors. theta energy: -108.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1330.802287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.802287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.802287 (E_RNA) where: Base-Base interactions energy: -820.573 where: short stacking energy: -350.428 Base-Backbone interact. energy: 1.434 local terms energy: -511.663564 where: bonds (distance) C4'-P energy: -118.588 bonds (distance) P-C4' energy: -145.603 flat angles C4'-P-C4' energy: -123.923 flat angles P-C4'-P energy: -81.723 tors. eta vs tors. theta energy: -41.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1014.988513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.988513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.988513 (E_RNA) where: Base-Base interactions energy: -590.277 where: short stacking energy: -279.680 Base-Backbone interact. energy: -3.197 local terms energy: -421.515052 where: bonds (distance) C4'-P energy: -108.994 bonds (distance) P-C4' energy: -119.660 flat angles C4'-P-C4' energy: -125.397 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -751.311205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.311205 (E_RNA) where: Base-Base interactions energy: -336.049 where: short stacking energy: -198.208 Base-Backbone interact. energy: 7.418 local terms energy: -422.680512 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -152.552 flat angles C4'-P-C4' energy: -107.125 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: 8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2672.033321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.033321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.033321 (E_RNA) where: Base-Base interactions energy: -1875.618 where: short stacking energy: -751.298 Base-Backbone interact. energy: 0.479 local terms energy: -796.894756 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -172.681 flat angles P-C4'-P energy: -121.127 tors. eta vs tors. theta energy: -199.921 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2593.705964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.705964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.705964 (E_RNA) where: Base-Base interactions energy: -1804.848 where: short stacking energy: -714.840 Base-Backbone interact. energy: -6.506 local terms energy: -782.352488 where: bonds (distance) C4'-P energy: -151.234 bonds (distance) P-C4' energy: -159.528 flat angles C4'-P-C4' energy: -161.179 flat angles P-C4'-P energy: -106.733 tors. eta vs tors. theta energy: -203.679 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2477.109044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.109044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.109044 (E_RNA) where: Base-Base interactions energy: -1722.443 where: short stacking energy: -741.958 Base-Backbone interact. energy: -2.462 local terms energy: -752.204265 where: bonds (distance) C4'-P energy: -136.909 bonds (distance) P-C4' energy: -136.685 flat angles C4'-P-C4' energy: -163.764 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -204.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2249.075049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.075049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.075049 (E_RNA) where: Base-Base interactions energy: -1547.294 where: short stacking energy: -687.363 Base-Backbone interact. energy: 3.382 local terms energy: -705.163134 where: bonds (distance) C4'-P energy: -134.022 bonds (distance) P-C4' energy: -148.202 flat angles C4'-P-C4' energy: -142.069 flat angles P-C4'-P energy: -95.675 tors. eta vs tors. theta energy: -185.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2191.997617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.997617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.997617 (E_RNA) where: Base-Base interactions energy: -1469.277 where: short stacking energy: -650.645 Base-Backbone interact. energy: -0.776 local terms energy: -721.944589 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -145.230 flat angles C4'-P-C4' energy: -147.575 flat angles P-C4'-P energy: -105.862 tors. eta vs tors. theta energy: -188.490 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: 203 Temperature: 1.150000 Total energy: -1991.365636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.365636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.365636 (E_RNA) where: Base-Base interactions energy: -1279.413 where: short stacking energy: -567.692 Base-Backbone interact. energy: -2.899 local terms energy: -709.054222 where: bonds (distance) C4'-P energy: -152.543 bonds (distance) P-C4' energy: -134.760 flat angles C4'-P-C4' energy: -159.773 flat angles P-C4'-P energy: -109.615 tors. eta vs tors. theta energy: -152.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1637.346614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.346614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.346614 (E_RNA) where: Base-Base interactions energy: -1071.784 where: short stacking energy: -476.486 Base-Backbone interact. energy: 8.146 local terms energy: -573.708276 where: bonds (distance) C4'-P energy: -116.710 bonds (distance) P-C4' energy: -129.203 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -88.895 tors. eta vs tors. theta energy: -102.399 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: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1359.509951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.509951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.509951 (E_RNA) where: Base-Base interactions energy: -835.468 where: short stacking energy: -367.870 Base-Backbone interact. energy: -1.484 local terms energy: -522.557628 where: bonds (distance) C4'-P energy: -139.348 bonds (distance) P-C4' energy: -142.141 flat angles C4'-P-C4' energy: -123.452 flat angles P-C4'-P energy: -71.982 tors. eta vs tors. theta energy: -45.634 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: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1088.481858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.481858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.481858 (E_RNA) where: Base-Base interactions energy: -582.043 where: short stacking energy: -343.154 Base-Backbone interact. energy: 0.090 local terms energy: -506.528355 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -133.375 flat angles C4'-P-C4' energy: -116.796 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -54.464 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: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -715.326550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.326550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.326550 (E_RNA) where: Base-Base interactions energy: -318.654 where: short stacking energy: -187.622 Base-Backbone interact. energy: 1.664 local terms energy: -398.336492 where: bonds (distance) C4'-P energy: -119.463 bonds (distance) P-C4' energy: -130.585 flat angles C4'-P-C4' energy: -95.446 flat angles P-C4'-P energy: -78.220 tors. eta vs tors. theta energy: 25.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2655.714626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.714626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.714626 (E_RNA) where: Base-Base interactions energy: -1842.089 where: short stacking energy: -752.379 Base-Backbone interact. energy: -6.067 local terms energy: -807.558807 where: bonds (distance) C4'-P energy: -150.338 bonds (distance) P-C4' energy: -163.170 flat angles C4'-P-C4' energy: -163.473 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -211.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2562.238081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.238081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.238081 (E_RNA) where: Base-Base interactions energy: -1758.434 where: short stacking energy: -726.495 Base-Backbone interact. energy: -4.062 local terms energy: -799.741433 where: bonds (distance) C4'-P energy: -141.409 bonds (distance) P-C4' energy: -165.748 flat angles C4'-P-C4' energy: -173.627 flat angles P-C4'-P energy: -119.059 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: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2421.159854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.159854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.159854 (E_RNA) where: Base-Base interactions energy: -1678.575 where: short stacking energy: -742.185 Base-Backbone interact. energy: -2.994 local terms energy: -739.591037 where: bonds (distance) C4'-P energy: -119.398 bonds (distance) P-C4' energy: -143.442 flat angles C4'-P-C4' energy: -173.254 flat angles P-C4'-P energy: -103.999 tors. eta vs tors. theta energy: -199.498 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: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2257.736279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.736279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.736279 (E_RNA) where: Base-Base interactions energy: -1525.907 where: short stacking energy: -664.059 Base-Backbone interact. energy: 0.121 local terms energy: -731.950236 where: bonds (distance) C4'-P energy: -143.011 bonds (distance) P-C4' energy: -155.818 flat angles C4'-P-C4' energy: -156.330 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -175.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2169.815607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.815607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.815607 (E_RNA) where: Base-Base interactions energy: -1488.941 where: short stacking energy: -658.284 Base-Backbone interact. energy: 2.242 local terms energy: -683.117260 where: bonds (distance) C4'-P energy: -117.963 bonds (distance) P-C4' energy: -127.034 flat angles C4'-P-C4' energy: -157.890 flat angles P-C4'-P energy: -96.611 tors. eta vs tors. theta energy: -183.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1952.553818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.553818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.553818 (E_RNA) where: Base-Base interactions energy: -1273.688 where: short stacking energy: -580.070 Base-Backbone interact. energy: 3.709 local terms energy: -682.574511 where: bonds (distance) C4'-P energy: -142.300 bonds (distance) P-C4' energy: -142.266 flat angles C4'-P-C4' energy: -148.189 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -161.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1615.573210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.573210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.573210 (E_RNA) where: Base-Base interactions energy: -1009.983 where: short stacking energy: -457.606 Base-Backbone interact. energy: 0.211 local terms energy: -605.801375 where: bonds (distance) C4'-P energy: -116.960 bonds (distance) P-C4' energy: -147.976 flat angles C4'-P-C4' energy: -140.327 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: -105.238 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: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1386.448329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.448329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.448329 (E_RNA) where: Base-Base interactions energy: -872.596 where: short stacking energy: -384.884 Base-Backbone interact. energy: -1.114 local terms energy: -512.738042 where: bonds (distance) C4'-P energy: -125.370 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -123.995 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -55.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -987.589985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.589985 (E_RNA) where: Base-Base interactions energy: -534.811 where: short stacking energy: -287.964 Base-Backbone interact. energy: 2.178 local terms energy: -454.957088 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -122.246 flat angles C4'-P-C4' energy: -110.824 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: -18.018 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: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -720.504924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.504924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.504924 (E_RNA) where: Base-Base interactions energy: -340.561 where: short stacking energy: -250.097 Base-Backbone interact. energy: 15.227 local terms energy: -395.171244 where: bonds (distance) C4'-P energy: -105.733 bonds (distance) P-C4' energy: -127.513 flat angles C4'-P-C4' energy: -103.881 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2674.042041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.042041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.042041 (E_RNA) where: Base-Base interactions energy: -1839.985 where: short stacking energy: -732.438 Base-Backbone interact. energy: -6.689 local terms energy: -827.367854 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -166.523 flat angles C4'-P-C4' energy: -180.399 flat angles P-C4'-P energy: -125.444 tors. eta vs tors. theta energy: -204.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2562.776130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.776130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.776130 (E_RNA) where: Base-Base interactions energy: -1798.720 where: short stacking energy: -727.543 Base-Backbone interact. energy: -4.505 local terms energy: -759.551135 where: bonds (distance) C4'-P energy: -138.372 bonds (distance) P-C4' energy: -144.565 flat angles C4'-P-C4' energy: -159.702 flat angles P-C4'-P energy: -124.688 tors. eta vs tors. theta energy: -192.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2410.818833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.818833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.818833 (E_RNA) where: Base-Base interactions energy: -1645.128 where: short stacking energy: -707.766 Base-Backbone interact. energy: -1.677 local terms energy: -764.014062 where: bonds (distance) C4'-P energy: -138.953 bonds (distance) P-C4' energy: -146.009 flat angles C4'-P-C4' energy: -182.079 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -204.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2271.295199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.295199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.295199 (E_RNA) where: Base-Base interactions energy: -1550.124 where: short stacking energy: -703.172 Base-Backbone interact. energy: -0.078 local terms energy: -721.092986 where: bonds (distance) C4'-P energy: -138.580 bonds (distance) P-C4' energy: -131.397 flat angles C4'-P-C4' energy: -156.980 flat angles P-C4'-P energy: -99.928 tors. eta vs tors. theta energy: -194.207 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: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2154.832978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.832978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.832978 (E_RNA) where: Base-Base interactions energy: -1463.129 where: short stacking energy: -609.541 Base-Backbone interact. energy: -4.250 local terms energy: -687.454145 where: bonds (distance) C4'-P energy: -143.842 bonds (distance) P-C4' energy: -124.163 flat angles C4'-P-C4' energy: -161.896 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -169.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1976.336812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.336812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.336812 (E_RNA) where: Base-Base interactions energy: -1319.268 where: short stacking energy: -574.021 Base-Backbone interact. energy: -1.344 local terms energy: -655.725566 where: bonds (distance) C4'-P energy: -127.435 bonds (distance) P-C4' energy: -142.923 flat angles C4'-P-C4' energy: -146.466 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -167.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1726.883752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.883752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.883752 (E_RNA) where: Base-Base interactions energy: -1127.307 where: short stacking energy: -504.426 Base-Backbone interact. energy: -4.551 local terms energy: -595.025938 where: bonds (distance) C4'-P energy: -135.868 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -132.830 flat angles P-C4'-P energy: -99.123 tors. eta vs tors. theta energy: -119.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1359.878804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.878804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.878804 (E_RNA) where: Base-Base interactions energy: -833.079 where: short stacking energy: -388.011 Base-Backbone interact. energy: 0.874 local terms energy: -527.673662 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -60.478 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1019.175236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.175236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.175236 (E_RNA) where: Base-Base interactions energy: -573.611 where: short stacking energy: -290.752 Base-Backbone interact. energy: 2.324 local terms energy: -447.887677 where: bonds (distance) C4'-P energy: -115.374 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -105.416 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -700.558911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.558911 (E_RNA) where: Base-Base interactions energy: -277.739 where: short stacking energy: -182.629 Base-Backbone interact. energy: -1.469 local terms energy: -421.350923 where: bonds (distance) C4'-P energy: -117.132 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -114.387 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: 11.428 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: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2684.607773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.607773 (E_RNA) where: Base-Base interactions energy: -1872.664 where: short stacking energy: -773.372 Base-Backbone interact. energy: -4.849 local terms energy: -807.094512 where: bonds (distance) C4'-P energy: -151.091 bonds (distance) P-C4' energy: -149.687 flat angles C4'-P-C4' energy: -175.118 flat angles P-C4'-P energy: -112.727 tors. eta vs tors. theta energy: -218.472 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: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2547.438614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.438614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.438614 (E_RNA) where: Base-Base interactions energy: -1759.680 where: short stacking energy: -720.698 Base-Backbone interact. energy: -2.503 local terms energy: -785.255714 where: bonds (distance) C4'-P energy: -150.649 bonds (distance) P-C4' energy: -154.175 flat angles C4'-P-C4' energy: -173.934 flat angles P-C4'-P energy: -116.700 tors. eta vs tors. theta energy: -189.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2365.353127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.353127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.353127 (E_RNA) where: Base-Base interactions energy: -1598.958 where: short stacking energy: -702.114 Base-Backbone interact. energy: -3.541 local terms energy: -762.854505 where: bonds (distance) C4'-P energy: -137.590 bonds (distance) P-C4' energy: -155.745 flat angles C4'-P-C4' energy: -163.474 flat angles P-C4'-P energy: -110.631 tors. eta vs tors. theta energy: -195.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2315.630101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.630101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.630101 (E_RNA) where: Base-Base interactions energy: -1549.726 where: short stacking energy: -705.639 Base-Backbone interact. energy: -3.804 local terms energy: -762.099649 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -137.854 flat angles C4'-P-C4' energy: -163.244 flat angles P-C4'-P energy: -109.697 tors. eta vs tors. theta energy: -200.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2197.253066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.253066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.253066 (E_RNA) where: Base-Base interactions energy: -1523.127 where: short stacking energy: -638.211 Base-Backbone interact. energy: -1.614 local terms energy: -672.511513 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -165.112 flat angles P-C4'-P energy: -92.266 tors. eta vs tors. theta energy: -169.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1982.172643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.172643 (E_RNA) where: Base-Base interactions energy: -1314.506 where: short stacking energy: -581.506 Base-Backbone interact. energy: -1.525 local terms energy: -666.141389 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -147.790 flat angles P-C4'-P energy: -93.446 tors. eta vs tors. theta energy: -160.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1742.508858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.508858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.508858 (E_RNA) where: Base-Base interactions energy: -1134.000 where: short stacking energy: -485.009 Base-Backbone interact. energy: 0.648 local terms energy: -609.156654 where: bonds (distance) C4'-P energy: -133.633 bonds (distance) P-C4' energy: -128.209 flat angles C4'-P-C4' energy: -141.710 flat angles P-C4'-P energy: -97.735 tors. eta vs tors. theta energy: -107.869 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: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1358.622554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.622554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.622554 (E_RNA) where: Base-Base interactions energy: -830.527 where: short stacking energy: -406.313 Base-Backbone interact. energy: -0.987 local terms energy: -527.108339 where: bonds (distance) C4'-P energy: -128.369 bonds (distance) P-C4' energy: -135.649 flat angles C4'-P-C4' energy: -131.849 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -64.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1115.102825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.102825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.102825 (E_RNA) where: Base-Base interactions energy: -638.989 where: short stacking energy: -347.720 Base-Backbone interact. energy: -2.101 local terms energy: -474.012589 where: bonds (distance) C4'-P energy: -100.846 bonds (distance) P-C4' energy: -113.143 flat angles C4'-P-C4' energy: -133.433 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -58.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -702.181106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.181106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.181106 (E_RNA) where: Base-Base interactions energy: -304.320 where: short stacking energy: -216.006 Base-Backbone interact. energy: -2.017 local terms energy: -395.844137 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -119.005 flat angles C4'-P-C4' energy: -116.364 flat angles P-C4'-P energy: -34.821 tors. eta vs tors. theta energy: 13.513 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: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2681.881998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.881998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.881998 (E_RNA) where: Base-Base interactions energy: -1889.269 where: short stacking energy: -754.583 Base-Backbone interact. energy: -2.231 local terms energy: -790.381889 where: bonds (distance) C4'-P energy: -152.558 bonds (distance) P-C4' energy: -145.093 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -116.977 tors. eta vs tors. theta energy: -203.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2565.942506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.942506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.942506 (E_RNA) where: Base-Base interactions energy: -1787.725 where: short stacking energy: -713.859 Base-Backbone interact. energy: -6.028 local terms energy: -772.188734 where: bonds (distance) C4'-P energy: -154.502 bonds (distance) P-C4' energy: -162.105 flat angles C4'-P-C4' energy: -159.883 flat angles P-C4'-P energy: -103.164 tors. eta vs tors. theta energy: -192.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2386.903531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.903531 (E_RNA) where: Base-Base interactions energy: -1628.630 where: short stacking energy: -722.184 Base-Backbone interact. energy: -3.526 local terms energy: -754.747748 where: bonds (distance) C4'-P energy: -152.700 bonds (distance) P-C4' energy: -151.912 flat angles C4'-P-C4' energy: -148.694 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -185.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2259.365964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.365964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.365964 (E_RNA) where: Base-Base interactions energy: -1510.092 where: short stacking energy: -699.787 Base-Backbone interact. energy: -1.625 local terms energy: -747.648179 where: bonds (distance) C4'-P energy: -113.884 bonds (distance) P-C4' energy: -159.624 flat angles C4'-P-C4' energy: -155.869 flat angles P-C4'-P energy: -114.484 tors. eta vs tors. theta energy: -203.787 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: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2173.870883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.870883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.870883 (E_RNA) where: Base-Base interactions energy: -1493.920 where: short stacking energy: -634.508 Base-Backbone interact. energy: 1.409 local terms energy: -681.360780 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -120.860 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -90.766 tors. eta vs tors. theta energy: -178.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1977.865389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.865389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.865389 (E_RNA) where: Base-Base interactions energy: -1344.558 where: short stacking energy: -577.650 Base-Backbone interact. energy: -2.868 local terms energy: -630.439311 where: bonds (distance) C4'-P energy: -132.026 bonds (distance) P-C4' energy: -127.481 flat angles C4'-P-C4' energy: -132.993 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -148.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1781.149912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.149912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.149912 (E_RNA) where: Base-Base interactions energy: -1168.105 where: short stacking energy: -493.835 Base-Backbone interact. energy: -2.075 local terms energy: -610.969066 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -143.957 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -90.701 tors. eta vs tors. theta energy: -121.458 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: 207 Temperature: 1.250000 Total energy: -1360.627512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.627512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.627512 (E_RNA) where: Base-Base interactions energy: -835.347 where: short stacking energy: -375.564 Base-Backbone interact. energy: 1.262 local terms energy: -526.541973 where: bonds (distance) C4'-P energy: -124.311 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -123.545 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -69.276 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1183.025796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.025796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.025796 (E_RNA) where: Base-Base interactions energy: -692.694 where: short stacking energy: -335.100 Base-Backbone interact. energy: 0.444 local terms energy: -490.775142 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -130.322 flat angles C4'-P-C4' energy: -133.894 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -43.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -742.451497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.451497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.451497 (E_RNA) where: Base-Base interactions energy: -362.335 where: short stacking energy: -214.486 Base-Backbone interact. energy: 5.795 local terms energy: -385.912343 where: bonds (distance) C4'-P energy: -86.139 bonds (distance) P-C4' energy: -135.523 flat angles C4'-P-C4' energy: -125.629 flat angles P-C4'-P energy: -38.606 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: 1, replica: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2678.601936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.601936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.601936 (E_RNA) where: Base-Base interactions energy: -1859.289 where: short stacking energy: -765.766 Base-Backbone interact. energy: -4.066 local terms energy: -815.247900 where: bonds (distance) C4'-P energy: -162.481 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -173.714 flat angles P-C4'-P energy: -121.339 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: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2567.229020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.229020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.229020 (E_RNA) where: Base-Base interactions energy: -1789.667 where: short stacking energy: -732.271 Base-Backbone interact. energy: -4.534 local terms energy: -773.027102 where: bonds (distance) C4'-P energy: -149.936 bonds (distance) P-C4' energy: -153.135 flat angles C4'-P-C4' energy: -165.103 flat angles P-C4'-P energy: -99.392 tors. eta vs tors. theta energy: -205.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2373.612314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.612314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.612314 (E_RNA) where: Base-Base interactions energy: -1558.721 where: short stacking energy: -706.398 Base-Backbone interact. energy: -2.824 local terms energy: -812.067250 where: bonds (distance) C4'-P energy: -157.807 bonds (distance) P-C4' energy: -150.109 flat angles C4'-P-C4' energy: -170.404 flat angles P-C4'-P energy: -115.080 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: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2325.981063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.981063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.981063 (E_RNA) where: Base-Base interactions energy: -1566.446 where: short stacking energy: -684.483 Base-Backbone interact. energy: 4.277 local terms energy: -763.812021 where: bonds (distance) C4'-P energy: -142.286 bonds (distance) P-C4' energy: -143.712 flat angles C4'-P-C4' energy: -169.596 flat angles P-C4'-P energy: -114.493 tors. eta vs tors. theta energy: -193.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2185.248651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.248651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.248651 (E_RNA) where: Base-Base interactions energy: -1484.531 where: short stacking energy: -630.460 Base-Backbone interact. energy: -1.565 local terms energy: -699.152337 where: bonds (distance) C4'-P energy: -135.080 bonds (distance) P-C4' energy: -135.442 flat angles C4'-P-C4' energy: -162.709 flat angles P-C4'-P energy: -92.573 tors. eta vs tors. theta energy: -173.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1963.160276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.160276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.160276 (E_RNA) where: Base-Base interactions energy: -1319.493 where: short stacking energy: -553.714 Base-Backbone interact. energy: -5.056 local terms energy: -638.610804 where: bonds (distance) C4'-P energy: -118.849 bonds (distance) P-C4' energy: -135.754 flat angles C4'-P-C4' energy: -140.168 flat angles P-C4'-P energy: -93.830 tors. eta vs tors. theta energy: -150.009 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: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1760.114063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.114063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.114063 (E_RNA) where: Base-Base interactions energy: -1158.891 where: short stacking energy: -476.989 Base-Backbone interact. energy: -3.632 local terms energy: -597.590531 where: bonds (distance) C4'-P energy: -134.290 bonds (distance) P-C4' energy: -138.841 flat angles C4'-P-C4' energy: -128.076 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -110.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1383.872736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.872736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.872736 (E_RNA) where: Base-Base interactions energy: -893.627 where: short stacking energy: -423.983 Base-Backbone interact. energy: -2.602 local terms energy: -487.643326 where: bonds (distance) C4'-P energy: -107.258 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -131.196 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -62.957 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1188.845551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.845551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.845551 (E_RNA) where: Base-Base interactions energy: -720.357 where: short stacking energy: -325.586 Base-Backbone interact. energy: 1.684 local terms energy: -470.172636 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -132.048 flat angles C4'-P-C4' energy: -116.566 flat angles P-C4'-P energy: -64.212 tors. eta vs tors. theta energy: -26.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -682.562512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.562512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.562512 (E_RNA) where: Base-Base interactions energy: -311.159 where: short stacking energy: -209.600 Base-Backbone interact. energy: 4.076 local terms energy: -375.479363 where: bonds (distance) C4'-P energy: -109.011 bonds (distance) P-C4' energy: -119.724 flat angles C4'-P-C4' energy: -85.679 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: 7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2697.031162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.031162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.031162 (E_RNA) where: Base-Base interactions energy: -1899.739 where: short stacking energy: -781.549 Base-Backbone interact. energy: -2.325 local terms energy: -794.967450 where: bonds (distance) C4'-P energy: -149.402 bonds (distance) P-C4' energy: -139.876 flat angles C4'-P-C4' energy: -174.372 flat angles P-C4'-P energy: -113.418 tors. eta vs tors. theta energy: -217.899 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: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2605.654257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.654257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.654257 (E_RNA) where: Base-Base interactions energy: -1844.202 where: short stacking energy: -740.961 Base-Backbone interact. energy: -1.559 local terms energy: -759.892943 where: bonds (distance) C4'-P energy: -151.390 bonds (distance) P-C4' energy: -143.388 flat angles C4'-P-C4' energy: -153.126 flat angles P-C4'-P energy: -119.734 tors. eta vs tors. theta energy: -192.255 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2427.612787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.612787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.612787 (E_RNA) where: Base-Base interactions energy: -1620.239 where: short stacking energy: -738.821 Base-Backbone interact. energy: -2.125 local terms energy: -805.249187 where: bonds (distance) C4'-P energy: -150.222 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -174.587 flat angles P-C4'-P energy: -121.162 tors. eta vs tors. theta energy: -210.132 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: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2294.098696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.098696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.098696 (E_RNA) where: Base-Base interactions energy: -1537.147 where: short stacking energy: -640.064 Base-Backbone interact. energy: -1.604 local terms energy: -755.348133 where: bonds (distance) C4'-P energy: -143.107 bonds (distance) P-C4' energy: -148.356 flat angles C4'-P-C4' energy: -165.684 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -189.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2172.449220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.449220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.449220 (E_RNA) where: Base-Base interactions energy: -1463.347 where: short stacking energy: -662.906 Base-Backbone interact. energy: -2.831 local terms energy: -706.271612 where: bonds (distance) C4'-P energy: -134.941 bonds (distance) P-C4' energy: -140.695 flat angles C4'-P-C4' energy: -151.466 flat angles P-C4'-P energy: -105.760 tors. eta vs tors. theta energy: -173.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1948.658120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.658120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.658120 (E_RNA) where: Base-Base interactions energy: -1321.862 where: short stacking energy: -550.664 Base-Backbone interact. energy: -3.042 local terms energy: -623.754355 where: bonds (distance) C4'-P energy: -107.387 bonds (distance) P-C4' energy: -152.193 flat angles C4'-P-C4' energy: -135.469 flat angles P-C4'-P energy: -86.517 tors. eta vs tors. theta energy: -142.188 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: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1744.555111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.555111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.555111 (E_RNA) where: Base-Base interactions energy: -1141.887 where: short stacking energy: -493.977 Base-Backbone interact. energy: -0.532 local terms energy: -602.136712 where: bonds (distance) C4'-P energy: -129.075 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -139.200 flat angles P-C4'-P energy: -83.163 tors. eta vs tors. theta energy: -106.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1447.647063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.647063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.647063 (E_RNA) where: Base-Base interactions energy: -934.046 where: short stacking energy: -428.146 Base-Backbone interact. energy: 3.909 local terms energy: -517.509856 where: bonds (distance) C4'-P energy: -121.558 bonds (distance) P-C4' energy: -123.969 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -68.575 tors. eta vs tors. theta energy: -77.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1140.335880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.335880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.335880 (E_RNA) where: Base-Base interactions energy: -675.520 where: short stacking energy: -334.808 Base-Backbone interact. energy: 0.471 local terms energy: -465.287400 where: bonds (distance) C4'-P energy: -130.211 bonds (distance) P-C4' energy: -116.504 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -76.727 tors. eta vs tors. theta energy: -32.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -721.621559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.621559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.621559 (E_RNA) where: Base-Base interactions energy: -336.205 where: short stacking energy: -177.343 Base-Backbone interact. energy: -3.954 local terms energy: -381.462829 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -141.370 flat angles C4'-P-C4' energy: -84.525 flat angles P-C4'-P energy: -62.475 tors. eta vs tors. theta energy: 19.864 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: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2662.281843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.281843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.281843 (E_RNA) where: Base-Base interactions energy: -1852.220 where: short stacking energy: -763.748 Base-Backbone interact. energy: -3.195 local terms energy: -806.866872 where: bonds (distance) C4'-P energy: -152.592 bonds (distance) P-C4' energy: -144.564 flat angles C4'-P-C4' energy: -177.843 flat angles P-C4'-P energy: -121.978 tors. eta vs tors. theta energy: -209.890 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: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2576.957952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.957952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.957952 (E_RNA) where: Base-Base interactions energy: -1829.972 where: short stacking energy: -740.285 Base-Backbone interact. energy: -0.946 local terms energy: -746.039995 where: bonds (distance) C4'-P energy: -127.381 bonds (distance) P-C4' energy: -150.860 flat angles C4'-P-C4' energy: -162.160 flat angles P-C4'-P energy: -103.911 tors. eta vs tors. theta energy: -201.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2369.349689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.349689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.349689 (E_RNA) where: Base-Base interactions energy: -1608.063 where: short stacking energy: -726.825 Base-Backbone interact. energy: -1.888 local terms energy: -759.398574 where: bonds (distance) C4'-P energy: -144.186 bonds (distance) P-C4' energy: -137.712 flat angles C4'-P-C4' energy: -169.175 flat angles P-C4'-P energy: -101.723 tors. eta vs tors. theta energy: -206.602 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2273.250792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.250792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.250792 (E_RNA) where: Base-Base interactions energy: -1531.327 where: short stacking energy: -673.165 Base-Backbone interact. energy: -1.191 local terms energy: -740.731933 where: bonds (distance) C4'-P energy: -151.506 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -153.319 flat angles P-C4'-P energy: -101.683 tors. eta vs tors. theta energy: -178.159 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2207.057105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.057105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.057105 (E_RNA) where: Base-Base interactions energy: -1510.569 where: short stacking energy: -665.689 Base-Backbone interact. energy: 0.835 local terms energy: -697.322836 where: bonds (distance) C4'-P energy: -134.874 bonds (distance) P-C4' energy: -144.051 flat angles C4'-P-C4' energy: -148.910 flat angles P-C4'-P energy: -97.148 tors. eta vs tors. theta energy: -172.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1946.252951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.252951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.252951 (E_RNA) where: Base-Base interactions energy: -1353.895 where: short stacking energy: -577.278 Base-Backbone interact. energy: 1.113 local terms energy: -593.471138 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -138.239 flat angles P-C4'-P energy: -81.298 tors. eta vs tors. theta energy: -133.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1800.343019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.343019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.343019 (E_RNA) where: Base-Base interactions energy: -1183.915 where: short stacking energy: -522.978 Base-Backbone interact. energy: -0.994 local terms energy: -615.434314 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -136.643 flat angles C4'-P-C4' energy: -150.249 flat angles P-C4'-P energy: -94.644 tors. eta vs tors. theta energy: -120.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1403.172523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.172523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.172523 (E_RNA) where: Base-Base interactions energy: -899.179 where: short stacking energy: -451.468 Base-Backbone interact. energy: -2.157 local terms energy: -501.836765 where: bonds (distance) C4'-P energy: -126.526 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -111.097 flat angles P-C4'-P energy: -87.606 tors. eta vs tors. theta energy: -71.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1152.070760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.070760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.070760 (E_RNA) where: Base-Base interactions energy: -656.050 where: short stacking energy: -324.652 Base-Backbone interact. energy: 1.486 local terms energy: -497.506181 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -126.811 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -56.767 tors. eta vs tors. theta energy: -63.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -747.329900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.329900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.329900 (E_RNA) where: Base-Base interactions energy: -339.056 where: short stacking energy: -200.509 Base-Backbone interact. energy: 0.484 local terms energy: -408.757981 where: bonds (distance) C4'-P energy: -102.249 bonds (distance) P-C4' energy: -132.988 flat angles C4'-P-C4' energy: -133.107 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: 15.438 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: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2689.096639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.096639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.096639 (E_RNA) where: Base-Base interactions energy: -1879.139 where: short stacking energy: -783.360 Base-Backbone interact. energy: -1.525 local terms energy: -808.432742 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -174.176 flat angles P-C4'-P energy: -126.367 tors. eta vs tors. theta energy: -217.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2573.538155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.538155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.538155 (E_RNA) where: Base-Base interactions energy: -1809.422 where: short stacking energy: -706.707 Base-Backbone interact. energy: -2.424 local terms energy: -761.691770 where: bonds (distance) C4'-P energy: -146.916 bonds (distance) P-C4' energy: -141.262 flat angles C4'-P-C4' energy: -169.431 flat angles P-C4'-P energy: -109.456 tors. eta vs tors. theta energy: -194.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2442.654360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.654360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.654360 (E_RNA) where: Base-Base interactions energy: -1652.946 where: short stacking energy: -747.218 Base-Backbone interact. energy: -2.061 local terms energy: -787.646596 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -141.106 flat angles C4'-P-C4' energy: -170.741 flat angles P-C4'-P energy: -117.599 tors. eta vs tors. theta energy: -209.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2309.254263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.254263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.254263 (E_RNA) where: Base-Base interactions energy: -1554.861 where: short stacking energy: -664.764 Base-Backbone interact. energy: 2.378 local terms energy: -756.770727 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -146.347 flat angles C4'-P-C4' energy: -157.077 flat angles P-C4'-P energy: -121.506 tors. eta vs tors. theta energy: -197.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2195.152148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.152148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.152148 (E_RNA) where: Base-Base interactions energy: -1535.329 where: short stacking energy: -662.025 Base-Backbone interact. energy: -4.242 local terms energy: -655.581208 where: bonds (distance) C4'-P energy: -127.631 bonds (distance) P-C4' energy: -125.893 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -73.029 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: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1937.198874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.198874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.198874 (E_RNA) where: Base-Base interactions energy: -1338.435 where: short stacking energy: -586.283 Base-Backbone interact. energy: -3.489 local terms energy: -595.274249 where: bonds (distance) C4'-P energy: -115.541 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -150.855 flat angles P-C4'-P energy: -81.898 tors. eta vs tors. theta energy: -121.493 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: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1737.644087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.644087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.644087 (E_RNA) where: Base-Base interactions energy: -1116.665 where: short stacking energy: -509.063 Base-Backbone interact. energy: -5.580 local terms energy: -615.398251 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -141.700 flat angles P-C4'-P energy: -84.480 tors. eta vs tors. theta energy: -126.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1417.277693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.277693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.277693 (E_RNA) where: Base-Base interactions energy: -885.147 where: short stacking energy: -432.984 Base-Backbone interact. energy: 1.109 local terms energy: -533.239440 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -145.479 flat angles C4'-P-C4' energy: -122.478 flat angles P-C4'-P energy: -78.890 tors. eta vs tors. theta energy: -73.096 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: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1080.185751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.185751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.185751 (E_RNA) where: Base-Base interactions energy: -616.051 where: short stacking energy: -303.969 Base-Backbone interact. energy: -1.930 local terms energy: -462.204713 where: bonds (distance) C4'-P energy: -107.576 bonds (distance) P-C4' energy: -127.310 flat angles C4'-P-C4' energy: -100.023 flat angles P-C4'-P energy: -92.301 tors. eta vs tors. theta energy: -34.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -724.359612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.359612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.359612 (E_RNA) where: Base-Base interactions energy: -351.680 where: short stacking energy: -185.352 Base-Backbone interact. energy: 6.846 local terms energy: -379.526008 where: bonds (distance) C4'-P energy: -109.000 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -104.162 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: 22.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2677.898262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.898262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.898262 (E_RNA) where: Base-Base interactions energy: -1850.270 where: short stacking energy: -764.524 Base-Backbone interact. energy: -2.907 local terms energy: -824.720518 where: bonds (distance) C4'-P energy: -154.976 bonds (distance) P-C4' energy: -163.884 flat angles C4'-P-C4' energy: -166.761 flat angles P-C4'-P energy: -118.158 tors. eta vs tors. theta energy: -220.942 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2556.228189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.228189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.228189 (E_RNA) where: Base-Base interactions energy: -1777.155 where: short stacking energy: -712.969 Base-Backbone interact. energy: -3.810 local terms energy: -775.263220 where: bonds (distance) C4'-P energy: -162.650 bonds (distance) P-C4' energy: -129.182 flat angles C4'-P-C4' energy: -168.089 flat angles P-C4'-P energy: -113.531 tors. eta vs tors. theta energy: -201.811 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: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2459.977160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.977160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.977160 (E_RNA) where: Base-Base interactions energy: -1654.280 where: short stacking energy: -758.391 Base-Backbone interact. energy: -3.259 local terms energy: -802.438242 where: bonds (distance) C4'-P energy: -137.746 bonds (distance) P-C4' energy: -143.364 flat angles C4'-P-C4' energy: -176.588 flat angles P-C4'-P energy: -116.365 tors. eta vs tors. theta energy: -228.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2322.169179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.169179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.169179 (E_RNA) where: Base-Base interactions energy: -1600.197 where: short stacking energy: -725.298 Base-Backbone interact. energy: -4.367 local terms energy: -717.605689 where: bonds (distance) C4'-P energy: -131.975 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -157.112 flat angles P-C4'-P energy: -105.907 tors. eta vs tors. theta energy: -197.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2193.771316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.771316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.771316 (E_RNA) where: Base-Base interactions energy: -1497.653 where: short stacking energy: -633.924 Base-Backbone interact. energy: -3.549 local terms energy: -692.570138 where: bonds (distance) C4'-P energy: -143.735 bonds (distance) P-C4' energy: -127.790 flat angles C4'-P-C4' energy: -144.915 flat angles P-C4'-P energy: -97.529 tors. eta vs tors. theta energy: -178.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1995.170224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.170224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.170224 (E_RNA) where: Base-Base interactions energy: -1316.158 where: short stacking energy: -557.093 Base-Backbone interact. energy: -2.243 local terms energy: -676.769171 where: bonds (distance) C4'-P energy: -134.074 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -153.351 flat angles P-C4'-P energy: -99.500 tors. eta vs tors. theta energy: -147.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1815.944891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.944891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.944891 (E_RNA) where: Base-Base interactions energy: -1205.165 where: short stacking energy: -518.159 Base-Backbone interact. energy: -2.775 local terms energy: -608.004474 where: bonds (distance) C4'-P energy: -119.887 bonds (distance) P-C4' energy: -132.071 flat angles C4'-P-C4' energy: -153.133 flat angles P-C4'-P energy: -73.535 tors. eta vs tors. theta energy: -129.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1492.145167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.145167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.145167 (E_RNA) where: Base-Base interactions energy: -925.202 where: short stacking energy: -417.863 Base-Backbone interact. energy: 1.058 local terms energy: -568.001303 where: bonds (distance) C4'-P energy: -137.214 bonds (distance) P-C4' energy: -126.004 flat angles C4'-P-C4' energy: -126.150 flat angles P-C4'-P energy: -87.509 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1190.632202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.632202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.632202 (E_RNA) where: Base-Base interactions energy: -712.665 where: short stacking energy: -316.956 Base-Backbone interact. energy: 3.099 local terms energy: -481.066673 where: bonds (distance) C4'-P energy: -124.713 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -130.073 flat angles P-C4'-P energy: -71.742 tors. eta vs tors. theta energy: -28.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -777.013139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.013139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.013139 (E_RNA) where: Base-Base interactions energy: -370.619 where: short stacking energy: -225.318 Base-Backbone interact. energy: 5.799 local terms energy: -412.193749 where: bonds (distance) C4'-P energy: -128.159 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -110.505 flat angles P-C4'-P energy: -58.380 tors. eta vs tors. theta energy: 10.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2656.843794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.843794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.843794 (E_RNA) where: Base-Base interactions energy: -1823.991 where: short stacking energy: -766.687 Base-Backbone interact. energy: -4.932 local terms energy: -827.920395 where: bonds (distance) C4'-P energy: -162.225 bonds (distance) P-C4' energy: -157.041 flat angles C4'-P-C4' energy: -165.199 flat angles P-C4'-P energy: -124.447 tors. eta vs tors. theta energy: -219.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2570.784571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.784571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.784571 (E_RNA) where: Base-Base interactions energy: -1789.203 where: short stacking energy: -707.396 Base-Backbone interact. energy: -3.517 local terms energy: -778.064266 where: bonds (distance) C4'-P energy: -134.741 bonds (distance) P-C4' energy: -154.130 flat angles C4'-P-C4' energy: -169.111 flat angles P-C4'-P energy: -108.975 tors. eta vs tors. theta energy: -211.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2409.076060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.076060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.076060 (E_RNA) where: Base-Base interactions energy: -1622.450 where: short stacking energy: -751.193 Base-Backbone interact. energy: -1.705 local terms energy: -784.920927 where: bonds (distance) C4'-P energy: -147.887 bonds (distance) P-C4' energy: -125.517 flat angles C4'-P-C4' energy: -171.131 flat angles P-C4'-P energy: -119.268 tors. eta vs tors. theta energy: -221.117 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: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2324.555718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.555718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.555718 (E_RNA) where: Base-Base interactions energy: -1559.079 where: short stacking energy: -647.779 Base-Backbone interact. energy: -1.399 local terms energy: -764.077713 where: bonds (distance) C4'-P energy: -136.357 bonds (distance) P-C4' energy: -150.261 flat angles C4'-P-C4' energy: -157.308 flat angles P-C4'-P energy: -112.110 tors. eta vs tors. theta energy: -208.042 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: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2135.434337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.434337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.434337 (E_RNA) where: Base-Base interactions energy: -1451.101 where: short stacking energy: -619.271 Base-Backbone interact. energy: -1.208 local terms energy: -683.124769 where: bonds (distance) C4'-P energy: -130.584 bonds (distance) P-C4' energy: -146.388 flat angles C4'-P-C4' energy: -150.633 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -159.374 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: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1961.798572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.798572 (E_RNA) where: Base-Base interactions energy: -1321.514 where: short stacking energy: -566.395 Base-Backbone interact. energy: -1.570 local terms energy: -638.714758 where: bonds (distance) C4'-P energy: -123.169 bonds (distance) P-C4' energy: -136.194 flat angles C4'-P-C4' energy: -141.977 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: -137.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1709.774809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.774809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.774809 (E_RNA) where: Base-Base interactions energy: -1107.608 where: short stacking energy: -485.608 Base-Backbone interact. energy: 1.075 local terms energy: -603.242238 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -145.689 flat angles C4'-P-C4' energy: -143.819 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -113.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1517.359185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.359185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.359185 (E_RNA) where: Base-Base interactions energy: -957.463 where: short stacking energy: -429.173 Base-Backbone interact. energy: -0.998 local terms energy: -558.897984 where: bonds (distance) C4'-P energy: -107.414 bonds (distance) P-C4' energy: -128.787 flat angles C4'-P-C4' energy: -162.109 flat angles P-C4'-P energy: -82.784 tors. eta vs tors. theta energy: -77.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1301.351631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.351631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.351631 (E_RNA) where: Base-Base interactions energy: -815.903 where: short stacking energy: -355.325 Base-Backbone interact. energy: 3.327 local terms energy: -488.775714 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -126.325 flat angles C4'-P-C4' energy: -116.892 flat angles P-C4'-P energy: -70.949 tors. eta vs tors. theta energy: -49.214 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: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -795.438015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.438015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.438015 (E_RNA) where: Base-Base interactions energy: -379.908 where: short stacking energy: -230.127 Base-Backbone interact. energy: 2.148 local terms energy: -417.677735 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -113.458 flat angles C4'-P-C4' energy: -106.081 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -10.988 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2666.536909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.536909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.536909 (E_RNA) where: Base-Base interactions energy: -1864.037 where: short stacking energy: -802.366 Base-Backbone interact. energy: -6.147 local terms energy: -796.352934 where: bonds (distance) C4'-P energy: -145.837 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -170.166 flat angles P-C4'-P energy: -118.901 tors. eta vs tors. theta energy: -211.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2590.039589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.039589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.039589 (E_RNA) where: Base-Base interactions energy: -1826.093 where: short stacking energy: -744.295 Base-Backbone interact. energy: -4.527 local terms energy: -759.419886 where: bonds (distance) C4'-P energy: -133.162 bonds (distance) P-C4' energy: -160.421 flat angles C4'-P-C4' energy: -156.198 flat angles P-C4'-P energy: -104.920 tors. eta vs tors. theta energy: -204.719 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: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2405.849080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.849080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.849080 (E_RNA) where: Base-Base interactions energy: -1623.637 where: short stacking energy: -740.083 Base-Backbone interact. energy: -1.753 local terms energy: -780.459044 where: bonds (distance) C4'-P energy: -143.441 bonds (distance) P-C4' energy: -141.672 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -109.932 tors. eta vs tors. theta energy: -218.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2341.470567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.470567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.470567 (E_RNA) where: Base-Base interactions energy: -1588.878 where: short stacking energy: -674.563 Base-Backbone interact. energy: 3.039 local terms energy: -755.631502 where: bonds (distance) C4'-P energy: -154.595 bonds (distance) P-C4' energy: -152.845 flat angles C4'-P-C4' energy: -160.371 flat angles P-C4'-P energy: -97.836 tors. eta vs tors. theta energy: -189.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2154.666318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.666318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.666318 (E_RNA) where: Base-Base interactions energy: -1482.897 where: short stacking energy: -579.466 Base-Backbone interact. energy: -3.465 local terms energy: -668.304885 where: bonds (distance) C4'-P energy: -121.018 bonds (distance) P-C4' energy: -129.093 flat angles C4'-P-C4' energy: -164.921 flat angles P-C4'-P energy: -87.246 tors. eta vs tors. theta energy: -166.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1947.437092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.437092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.437092 (E_RNA) where: Base-Base interactions energy: -1296.719 where: short stacking energy: -590.163 Base-Backbone interact. energy: -0.365 local terms energy: -650.352761 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -112.532 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -153.565 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: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1748.378720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.378720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.378720 (E_RNA) where: Base-Base interactions energy: -1143.859 where: short stacking energy: -540.048 Base-Backbone interact. energy: 1.843 local terms energy: -606.362604 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -105.604 flat angles C4'-P-C4' energy: -151.352 flat angles P-C4'-P energy: -89.980 tors. eta vs tors. theta energy: -129.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1558.919932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.919932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.919932 (E_RNA) where: Base-Base interactions energy: -1016.358 where: short stacking energy: -450.915 Base-Backbone interact. energy: 1.542 local terms energy: -544.104811 where: bonds (distance) C4'-P energy: -128.660 bonds (distance) P-C4' energy: -110.856 flat angles C4'-P-C4' energy: -144.275 flat angles P-C4'-P energy: -81.409 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1272.508042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.508042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.508042 (E_RNA) where: Base-Base interactions energy: -823.818 where: short stacking energy: -371.283 Base-Backbone interact. energy: -4.239 local terms energy: -444.450406 where: bonds (distance) C4'-P energy: -93.342 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -109.647 flat angles P-C4'-P energy: -82.361 tors. eta vs tors. theta energy: -34.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -743.866371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.866371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.866371 (E_RNA) where: Base-Base interactions energy: -369.228 where: short stacking energy: -215.876 Base-Backbone interact. energy: 0.397 local terms energy: -375.035928 where: bonds (distance) C4'-P energy: -119.879 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -90.510 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: 24.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2658.357967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.357967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.357967 (E_RNA) where: Base-Base interactions energy: -1854.342 where: short stacking energy: -765.941 Base-Backbone interact. energy: 0.421 local terms energy: -804.436395 where: bonds (distance) C4'-P energy: -152.769 bonds (distance) P-C4' energy: -150.939 flat angles C4'-P-C4' energy: -167.038 flat angles P-C4'-P energy: -110.175 tors. eta vs tors. theta energy: -223.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2592.309583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.309583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.309583 (E_RNA) where: Base-Base interactions energy: -1808.641 where: short stacking energy: -741.751 Base-Backbone interact. energy: -0.851 local terms energy: -782.818073 where: bonds (distance) C4'-P energy: -161.409 bonds (distance) P-C4' energy: -148.904 flat angles C4'-P-C4' energy: -163.417 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -203.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2431.284332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.284332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.284332 (E_RNA) where: Base-Base interactions energy: -1629.969 where: short stacking energy: -739.168 Base-Backbone interact. energy: -3.159 local terms energy: -798.155817 where: bonds (distance) C4'-P energy: -130.561 bonds (distance) P-C4' energy: -159.685 flat angles C4'-P-C4' energy: -168.033 flat angles P-C4'-P energy: -118.493 tors. eta vs tors. theta energy: -221.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2354.884962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.884962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.884962 (E_RNA) where: Base-Base interactions energy: -1593.085 where: short stacking energy: -701.710 Base-Backbone interact. energy: 1.055 local terms energy: -762.855258 where: bonds (distance) C4'-P energy: -150.806 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -167.211 flat angles P-C4'-P energy: -106.044 tors. eta vs tors. theta energy: -200.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2190.693202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.693202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.693202 (E_RNA) where: Base-Base interactions energy: -1477.718 where: short stacking energy: -637.044 Base-Backbone interact. energy: -3.493 local terms energy: -709.482289 where: bonds (distance) C4'-P energy: -149.452 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -146.451 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -180.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1902.407440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.407440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.407440 (E_RNA) where: Base-Base interactions energy: -1264.784 where: short stacking energy: -563.960 Base-Backbone interact. energy: -0.343 local terms energy: -637.280335 where: bonds (distance) C4'-P energy: -123.327 bonds (distance) P-C4' energy: -131.488 flat angles C4'-P-C4' energy: -155.728 flat angles P-C4'-P energy: -74.005 tors. eta vs tors. theta energy: -152.732 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: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1745.886133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.886133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.886133 (E_RNA) where: Base-Base interactions energy: -1137.841 where: short stacking energy: -500.715 Base-Backbone interact. energy: -2.258 local terms energy: -605.787723 where: bonds (distance) C4'-P energy: -134.296 bonds (distance) P-C4' energy: -130.639 flat angles C4'-P-C4' energy: -138.162 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: -131.059 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: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1539.516281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.516281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.516281 (E_RNA) where: Base-Base interactions energy: -980.518 where: short stacking energy: -474.022 Base-Backbone interact. energy: -2.999 local terms energy: -555.999535 where: bonds (distance) C4'-P energy: -133.602 bonds (distance) P-C4' energy: -141.595 flat angles C4'-P-C4' energy: -108.205 flat angles P-C4'-P energy: -81.388 tors. eta vs tors. theta energy: -91.210 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: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1113.635533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.635533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.635533 (E_RNA) where: Base-Base interactions energy: -679.880 where: short stacking energy: -318.091 Base-Backbone interact. energy: 0.193 local terms energy: -433.948169 where: bonds (distance) C4'-P energy: -110.882 bonds (distance) P-C4' energy: -121.875 flat angles C4'-P-C4' energy: -118.317 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -23.746 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: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -787.045872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.045872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.045872 (E_RNA) where: Base-Base interactions energy: -380.238 where: short stacking energy: -224.158 Base-Backbone interact. energy: -2.171 local terms energy: -404.636522 where: bonds (distance) C4'-P energy: -102.215 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -111.610 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: 1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2666.052942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.052942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.052942 (E_RNA) where: Base-Base interactions energy: -1851.527 where: short stacking energy: -761.390 Base-Backbone interact. energy: -2.690 local terms energy: -811.836769 where: bonds (distance) C4'-P energy: -156.360 bonds (distance) P-C4' energy: -153.015 flat angles C4'-P-C4' energy: -176.635 flat angles P-C4'-P energy: -117.705 tors. eta vs tors. theta energy: -208.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2579.719720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.719720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.719720 (E_RNA) where: Base-Base interactions energy: -1817.639 where: short stacking energy: -710.670 Base-Backbone interact. energy: -1.344 local terms energy: -760.736480 where: bonds (distance) C4'-P energy: -142.723 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -171.047 flat angles P-C4'-P energy: -101.716 tors. eta vs tors. theta energy: -193.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2454.314817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.314817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.314817 (E_RNA) where: Base-Base interactions energy: -1656.670 where: short stacking energy: -783.691 Base-Backbone interact. energy: 4.412 local terms energy: -802.056438 where: bonds (distance) C4'-P energy: -141.699 bonds (distance) P-C4' energy: -139.334 flat angles C4'-P-C4' energy: -167.647 flat angles P-C4'-P energy: -125.743 tors. eta vs tors. theta energy: -227.634 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: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2379.821861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.821861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.821861 (E_RNA) where: Base-Base interactions energy: -1619.064 where: short stacking energy: -687.280 Base-Backbone interact. energy: 0.054 local terms energy: -760.811904 where: bonds (distance) C4'-P energy: -146.930 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -163.440 flat angles P-C4'-P energy: -108.233 tors. eta vs tors. theta energy: -203.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2199.460239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.460239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.460239 (E_RNA) where: Base-Base interactions energy: -1515.959 where: short stacking energy: -653.002 Base-Backbone interact. energy: 5.937 local terms energy: -689.438351 where: bonds (distance) C4'-P energy: -127.561 bonds (distance) P-C4' energy: -144.290 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -96.197 tors. eta vs tors. theta energy: -167.983 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: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1926.433257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.433257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.433257 (E_RNA) where: Base-Base interactions energy: -1314.323 where: short stacking energy: -606.607 Base-Backbone interact. energy: 0.268 local terms energy: -612.378214 where: bonds (distance) C4'-P energy: -135.167 bonds (distance) P-C4' energy: -99.745 flat angles C4'-P-C4' energy: -145.626 flat angles P-C4'-P energy: -85.572 tors. eta vs tors. theta energy: -146.267 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: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1796.438339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.438339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.438339 (E_RNA) where: Base-Base interactions energy: -1170.423 where: short stacking energy: -500.993 Base-Backbone interact. energy: -1.451 local terms energy: -624.564351 where: bonds (distance) C4'-P energy: -146.271 bonds (distance) P-C4' energy: -137.927 flat angles C4'-P-C4' energy: -136.593 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -118.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1542.541514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.541514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.541514 (E_RNA) where: Base-Base interactions energy: -966.964 where: short stacking energy: -428.973 Base-Backbone interact. energy: -3.412 local terms energy: -572.165473 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -130.452 flat angles C4'-P-C4' energy: -137.828 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -84.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1132.597188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.597188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.597188 (E_RNA) where: Base-Base interactions energy: -637.202 where: short stacking energy: -320.107 Base-Backbone interact. energy: -0.428 local terms energy: -494.966963 where: bonds (distance) C4'-P energy: -129.301 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -130.147 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -34.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -798.420411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.420411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.420411 (E_RNA) where: Base-Base interactions energy: -388.640 where: short stacking energy: -214.034 Base-Backbone interact. energy: 1.618 local terms energy: -411.398216 where: bonds (distance) C4'-P energy: -117.645 bonds (distance) P-C4' energy: -125.322 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -79.532 tors. eta vs tors. theta energy: 23.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2656.527124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.527124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.527124 (E_RNA) where: Base-Base interactions energy: -1847.659 where: short stacking energy: -746.016 Base-Backbone interact. energy: 1.957 local terms energy: -810.825467 where: bonds (distance) C4'-P energy: -140.868 bonds (distance) P-C4' energy: -153.085 flat angles C4'-P-C4' energy: -179.155 flat angles P-C4'-P energy: -121.666 tors. eta vs tors. theta energy: -216.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2531.346351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.346351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.346351 (E_RNA) where: Base-Base interactions energy: -1758.299 where: short stacking energy: -697.273 Base-Backbone interact. energy: -9.316 local terms energy: -763.731425 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -168.358 flat angles P-C4'-P energy: -107.270 tors. eta vs tors. theta energy: -187.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2445.468037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.468037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.468037 (E_RNA) where: Base-Base interactions energy: -1644.495 where: short stacking energy: -747.983 Base-Backbone interact. energy: -2.106 local terms energy: -798.867500 where: bonds (distance) C4'-P energy: -130.235 bonds (distance) P-C4' energy: -139.315 flat angles C4'-P-C4' energy: -184.567 flat angles P-C4'-P energy: -125.739 tors. eta vs tors. theta energy: -219.012 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: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2380.945894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.945894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.945894 (E_RNA) where: Base-Base interactions energy: -1622.002 where: short stacking energy: -709.232 Base-Backbone interact. energy: -5.372 local terms energy: -753.571271 where: bonds (distance) C4'-P energy: -139.791 bonds (distance) P-C4' energy: -139.078 flat angles C4'-P-C4' energy: -160.738 flat angles P-C4'-P energy: -113.089 tors. eta vs tors. theta energy: -200.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2211.792376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.792376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.792376 (E_RNA) where: Base-Base interactions energy: -1496.235 where: short stacking energy: -649.966 Base-Backbone interact. energy: -2.789 local terms energy: -712.768663 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -144.616 flat angles C4'-P-C4' energy: -152.776 flat angles P-C4'-P energy: -95.544 tors. eta vs tors. theta energy: -178.655 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: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1908.321670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.321670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.321670 (E_RNA) where: Base-Base interactions energy: -1285.945 where: short stacking energy: -591.748 Base-Backbone interact. energy: -2.241 local terms energy: -620.135765 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -108.036 flat angles C4'-P-C4' energy: -135.544 flat angles P-C4'-P energy: -84.119 tors. eta vs tors. theta energy: -160.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1803.062930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.062930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.062930 (E_RNA) where: Base-Base interactions energy: -1176.489 where: short stacking energy: -523.964 Base-Backbone interact. energy: -3.663 local terms energy: -622.911336 where: bonds (distance) C4'-P energy: -129.656 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -140.885 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -130.905 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1453.544761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.544761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.544761 (E_RNA) where: Base-Base interactions energy: -927.355 where: short stacking energy: -425.291 Base-Backbone interact. energy: -1.728 local terms energy: -524.460969 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -122.757 flat angles C4'-P-C4' energy: -124.360 flat angles P-C4'-P energy: -75.102 tors. eta vs tors. theta energy: -80.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1107.616359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.616359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.616359 (E_RNA) where: Base-Base interactions energy: -623.417 where: short stacking energy: -299.595 Base-Backbone interact. energy: 5.985 local terms energy: -490.183882 where: bonds (distance) C4'-P energy: -123.044 bonds (distance) P-C4' energy: -128.792 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -33.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -801.676342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.676342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.676342 (E_RNA) where: Base-Base interactions energy: -369.791 where: short stacking energy: -203.100 Base-Backbone interact. energy: 2.592 local terms energy: -434.477104 where: bonds (distance) C4'-P energy: -123.403 bonds (distance) P-C4' energy: -125.152 flat angles C4'-P-C4' energy: -113.907 flat angles P-C4'-P energy: -56.843 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2707.211210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.211210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.211210 (E_RNA) where: Base-Base interactions energy: -1862.373 where: short stacking energy: -757.581 Base-Backbone interact. energy: -3.146 local terms energy: -841.691374 where: bonds (distance) C4'-P energy: -166.627 bonds (distance) P-C4' energy: -153.760 flat angles C4'-P-C4' energy: -178.656 flat angles P-C4'-P energy: -123.127 tors. eta vs tors. theta energy: -219.521 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: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2582.400496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.400496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.400496 (E_RNA) where: Base-Base interactions energy: -1822.062 where: short stacking energy: -750.224 Base-Backbone interact. energy: -5.501 local terms energy: -754.837412 where: bonds (distance) C4'-P energy: -141.093 bonds (distance) P-C4' energy: -146.671 flat angles C4'-P-C4' energy: -158.145 flat angles P-C4'-P energy: -108.344 tors. eta vs tors. theta energy: -200.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2452.104965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.104965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.104965 (E_RNA) where: Base-Base interactions energy: -1656.356 where: short stacking energy: -761.084 Base-Backbone interact. energy: -0.837 local terms energy: -794.911861 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -143.030 flat angles C4'-P-C4' energy: -155.991 flat angles P-C4'-P energy: -127.344 tors. eta vs tors. theta energy: -229.023 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: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2308.317395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.317395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.317395 (E_RNA) where: Base-Base interactions energy: -1562.799 where: short stacking energy: -673.935 Base-Backbone interact. energy: -1.703 local terms energy: -743.815327 where: bonds (distance) C4'-P energy: -142.427 bonds (distance) P-C4' energy: -153.320 flat angles C4'-P-C4' energy: -173.152 flat angles P-C4'-P energy: -80.120 tors. eta vs tors. theta energy: -194.796 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: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2212.722582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.722582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.722582 (E_RNA) where: Base-Base interactions energy: -1515.958 where: short stacking energy: -666.113 Base-Backbone interact. energy: -2.008 local terms energy: -694.756833 where: bonds (distance) C4'-P energy: -115.537 bonds (distance) P-C4' energy: -152.631 flat angles C4'-P-C4' energy: -148.977 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -169.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1934.841884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.841884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.841884 (E_RNA) where: Base-Base interactions energy: -1300.824 where: short stacking energy: -573.519 Base-Backbone interact. energy: -0.819 local terms energy: -633.198938 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -135.607 flat angles C4'-P-C4' energy: -157.337 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -133.673 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1746.721470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.721470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.721470 (E_RNA) where: Base-Base interactions energy: -1116.357 where: short stacking energy: -494.307 Base-Backbone interact. energy: -3.244 local terms energy: -627.121019 where: bonds (distance) C4'-P energy: -127.312 bonds (distance) P-C4' energy: -133.204 flat angles C4'-P-C4' energy: -150.371 flat angles P-C4'-P energy: -93.123 tors. eta vs tors. theta energy: -123.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1403.532355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.532355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.532355 (E_RNA) where: Base-Base interactions energy: -905.136 where: short stacking energy: -427.622 Base-Backbone interact. energy: 6.217 local terms energy: -504.613397 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -132.062 flat angles C4'-P-C4' energy: -119.947 flat angles P-C4'-P energy: -63.764 tors. eta vs tors. theta energy: -89.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1069.582416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.582416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.582416 (E_RNA) where: Base-Base interactions energy: -615.425 where: short stacking energy: -295.651 Base-Backbone interact. energy: -5.193 local terms energy: -448.964385 where: bonds (distance) C4'-P energy: -102.634 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -128.590 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -24.389 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: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -732.549780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.549780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.549780 (E_RNA) where: Base-Base interactions energy: -342.305 where: short stacking energy: -198.651 Base-Backbone interact. energy: -4.225 local terms energy: -386.018996 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -120.581 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: 14.155 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: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2673.988761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.988761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.988761 (E_RNA) where: Base-Base interactions energy: -1878.777 where: short stacking energy: -748.671 Base-Backbone interact. energy: 1.545 local terms energy: -796.757301 where: bonds (distance) C4'-P energy: -145.168 bonds (distance) P-C4' energy: -148.409 flat angles C4'-P-C4' energy: -186.719 flat angles P-C4'-P energy: -109.150 tors. eta vs tors. theta energy: -207.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2566.194012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.194012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.194012 (E_RNA) where: Base-Base interactions energy: -1815.122 where: short stacking energy: -715.677 Base-Backbone interact. energy: -1.996 local terms energy: -749.075850 where: bonds (distance) C4'-P energy: -144.204 bonds (distance) P-C4' energy: -143.230 flat angles C4'-P-C4' energy: -157.917 flat angles P-C4'-P energy: -104.569 tors. eta vs tors. theta energy: -199.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2387.230294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.230294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.230294 (E_RNA) where: Base-Base interactions energy: -1617.295 where: short stacking energy: -758.537 Base-Backbone interact. energy: 1.521 local terms energy: -771.456993 where: bonds (distance) C4'-P energy: -141.211 bonds (distance) P-C4' energy: -143.081 flat angles C4'-P-C4' energy: -171.689 flat angles P-C4'-P energy: -97.145 tors. eta vs tors. theta energy: -218.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2296.963309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.963309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.963309 (E_RNA) where: Base-Base interactions energy: -1575.079 where: short stacking energy: -675.265 Base-Backbone interact. energy: -3.892 local terms energy: -717.992398 where: bonds (distance) C4'-P energy: -133.037 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -159.052 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -185.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2150.676403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.676403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.676403 (E_RNA) where: Base-Base interactions energy: -1482.659 where: short stacking energy: -619.327 Base-Backbone interact. energy: 1.010 local terms energy: -669.027211 where: bonds (distance) C4'-P energy: -139.558 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -138.793 flat angles P-C4'-P energy: -108.419 tors. eta vs tors. theta energy: -159.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1948.771120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.771120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.771120 (E_RNA) where: Base-Base interactions energy: -1301.769 where: short stacking energy: -549.589 Base-Backbone interact. energy: 0.892 local terms energy: -647.894241 where: bonds (distance) C4'-P energy: -125.554 bonds (distance) P-C4' energy: -135.217 flat angles C4'-P-C4' energy: -154.978 flat angles P-C4'-P energy: -100.654 tors. eta vs tors. theta energy: -131.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1801.339457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.339457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.339457 (E_RNA) where: Base-Base interactions energy: -1181.417 where: short stacking energy: -550.870 Base-Backbone interact. energy: -3.962 local terms energy: -615.960804 where: bonds (distance) C4'-P energy: -128.807 bonds (distance) P-C4' energy: -129.696 flat angles C4'-P-C4' energy: -144.585 flat angles P-C4'-P energy: -81.545 tors. eta vs tors. theta energy: -131.328 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: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1497.350723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.350723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.350723 (E_RNA) where: Base-Base interactions energy: -929.323 where: short stacking energy: -440.782 Base-Backbone interact. energy: 1.611 local terms energy: -569.639181 where: bonds (distance) C4'-P energy: -121.339 bonds (distance) P-C4' energy: -111.497 flat angles C4'-P-C4' energy: -141.998 flat angles P-C4'-P energy: -99.027 tors. eta vs tors. theta energy: -95.778 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1053.667995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.667995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.667995 (E_RNA) where: Base-Base interactions energy: -589.459 where: short stacking energy: -305.819 Base-Backbone interact. energy: 5.246 local terms energy: -469.454441 where: bonds (distance) C4'-P energy: -122.597 bonds (distance) P-C4' energy: -145.394 flat angles C4'-P-C4' energy: -95.555 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -14.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -803.187002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.187002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.187002 (E_RNA) where: Base-Base interactions energy: -352.565 where: short stacking energy: -224.290 Base-Backbone interact. energy: -3.986 local terms energy: -446.636117 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -114.977 flat angles C4'-P-C4' energy: -112.369 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: -12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2663.966438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.966438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.966438 (E_RNA) where: Base-Base interactions energy: -1843.741 where: short stacking energy: -753.931 Base-Backbone interact. energy: -7.191 local terms energy: -813.034253 where: bonds (distance) C4'-P energy: -135.619 bonds (distance) P-C4' energy: -158.503 flat angles C4'-P-C4' energy: -184.496 flat angles P-C4'-P energy: -125.106 tors. eta vs tors. theta energy: -209.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2531.405614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.405614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.405614 (E_RNA) where: Base-Base interactions energy: -1778.332 where: short stacking energy: -754.666 Base-Backbone interact. energy: 1.952 local terms energy: -755.025435 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -134.456 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -111.199 tors. eta vs tors. theta energy: -202.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2358.759443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.759443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.759443 (E_RNA) where: Base-Base interactions energy: -1578.022 where: short stacking energy: -723.091 Base-Backbone interact. energy: 1.293 local terms energy: -782.029801 where: bonds (distance) C4'-P energy: -147.160 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -167.543 flat angles P-C4'-P energy: -123.625 tors. eta vs tors. theta energy: -211.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2266.591343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.591343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.591343 (E_RNA) where: Base-Base interactions energy: -1556.216 where: short stacking energy: -673.111 Base-Backbone interact. energy: -0.635 local terms energy: -709.739697 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -133.383 flat angles C4'-P-C4' energy: -169.691 flat angles P-C4'-P energy: -96.426 tors. eta vs tors. theta energy: -170.084 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: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2152.543183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.543183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.543183 (E_RNA) where: Base-Base interactions energy: -1493.258 where: short stacking energy: -635.749 Base-Backbone interact. energy: -2.837 local terms energy: -656.447587 where: bonds (distance) C4'-P energy: -144.470 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -143.984 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -177.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1959.573745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.573745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.573745 (E_RNA) where: Base-Base interactions energy: -1272.976 where: short stacking energy: -570.092 Base-Backbone interact. energy: -3.516 local terms energy: -683.081903 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -137.889 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -104.031 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: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1700.622176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.622176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.622176 (E_RNA) where: Base-Base interactions energy: -1140.548 where: short stacking energy: -517.873 Base-Backbone interact. energy: 0.613 local terms energy: -560.686556 where: bonds (distance) C4'-P energy: -96.804 bonds (distance) P-C4' energy: -142.855 flat angles C4'-P-C4' energy: -132.119 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -117.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1494.602309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.602309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.602309 (E_RNA) where: Base-Base interactions energy: -926.335 where: short stacking energy: -414.352 Base-Backbone interact. energy: -2.376 local terms energy: -565.891661 where: bonds (distance) C4'-P energy: -121.595 bonds (distance) P-C4' energy: -129.829 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -83.290 tors. eta vs tors. theta energy: -85.162 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1014.517204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.517204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.517204 (E_RNA) where: Base-Base interactions energy: -583.785 where: short stacking energy: -299.851 Base-Backbone interact. energy: -2.137 local terms energy: -428.595179 where: bonds (distance) C4'-P energy: -108.282 bonds (distance) P-C4' energy: -136.837 flat angles C4'-P-C4' energy: -110.228 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -11.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -768.701890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.701890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.701890 (E_RNA) where: Base-Base interactions energy: -350.642 where: short stacking energy: -203.379 Base-Backbone interact. energy: 1.898 local terms energy: -419.957719 where: bonds (distance) C4'-P energy: -149.677 bonds (distance) P-C4' energy: -122.474 flat angles C4'-P-C4' energy: -103.381 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: 8.175 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: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2717.338235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.338235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.338235 (E_RNA) where: Base-Base interactions energy: -1911.028 where: short stacking energy: -760.123 Base-Backbone interact. energy: -1.316 local terms energy: -804.994063 where: bonds (distance) C4'-P energy: -160.635 bonds (distance) P-C4' energy: -146.108 flat angles C4'-P-C4' energy: -175.699 flat angles P-C4'-P energy: -113.248 tors. eta vs tors. theta energy: -209.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2583.596341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.596341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.596341 (E_RNA) where: Base-Base interactions energy: -1815.284 where: short stacking energy: -733.031 Base-Backbone interact. energy: -1.447 local terms energy: -766.865790 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -150.150 flat angles C4'-P-C4' energy: -177.376 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -182.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2382.513614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.513614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.513614 (E_RNA) where: Base-Base interactions energy: -1607.471 where: short stacking energy: -718.091 Base-Backbone interact. energy: 0.696 local terms energy: -775.738364 where: bonds (distance) C4'-P energy: -141.454 bonds (distance) P-C4' energy: -127.841 flat angles C4'-P-C4' energy: -180.694 flat angles P-C4'-P energy: -106.411 tors. eta vs tors. theta energy: -219.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2288.940714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.940714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.940714 (E_RNA) where: Base-Base interactions energy: -1553.340 where: short stacking energy: -685.336 Base-Backbone interact. energy: -4.632 local terms energy: -730.968858 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -149.962 flat angles P-C4'-P energy: -109.194 tors. eta vs tors. theta energy: -188.271 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: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2236.226862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.226862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.226862 (E_RNA) where: Base-Base interactions energy: -1537.859 where: short stacking energy: -646.946 Base-Backbone interact. energy: 0.621 local terms energy: -698.988923 where: bonds (distance) C4'-P energy: -126.045 bonds (distance) P-C4' energy: -130.527 flat angles C4'-P-C4' energy: -165.075 flat angles P-C4'-P energy: -112.549 tors. eta vs tors. theta energy: -164.793 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: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1944.268976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.268976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.268976 (E_RNA) where: Base-Base interactions energy: -1294.026 where: short stacking energy: -585.982 Base-Backbone interact. energy: 6.062 local terms energy: -656.305330 where: bonds (distance) C4'-P energy: -134.084 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -142.057 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -148.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1747.279884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.279884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.279884 (E_RNA) where: Base-Base interactions energy: -1149.101 where: short stacking energy: -517.711 Base-Backbone interact. energy: 1.868 local terms energy: -600.047522 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -143.953 flat angles C4'-P-C4' energy: -128.720 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -115.475 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: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1482.968232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.968232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.968232 (E_RNA) where: Base-Base interactions energy: -933.367 where: short stacking energy: -431.990 Base-Backbone interact. energy: -0.690 local terms energy: -548.910869 where: bonds (distance) C4'-P energy: -125.976 bonds (distance) P-C4' energy: -135.810 flat angles C4'-P-C4' energy: -123.453 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -82.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -942.281282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.281282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.281282 (E_RNA) where: Base-Base interactions energy: -492.669 where: short stacking energy: -279.461 Base-Backbone interact. energy: 2.757 local terms energy: -452.369542 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -110.445 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -12.615 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: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -808.992188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.992188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.992188 (E_RNA) where: Base-Base interactions energy: -394.320 where: short stacking energy: -226.547 Base-Backbone interact. energy: 3.430 local terms energy: -418.102230 where: bonds (distance) C4'-P energy: -116.656 bonds (distance) P-C4' energy: -118.584 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -66.959 tors. eta vs tors. theta energy: 10.144 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2697.030133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.030133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.030133 (E_RNA) where: Base-Base interactions energy: -1885.052 where: short stacking energy: -764.707 Base-Backbone interact. energy: -5.787 local terms energy: -806.191067 where: bonds (distance) C4'-P energy: -166.044 bonds (distance) P-C4' energy: -153.649 flat angles C4'-P-C4' energy: -166.747 flat angles P-C4'-P energy: -113.766 tors. eta vs tors. theta energy: -205.985 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2596.282438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.282438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.282438 (E_RNA) where: Base-Base interactions energy: -1818.816 where: short stacking energy: -731.390 Base-Backbone interact. energy: -2.834 local terms energy: -774.632048 where: bonds (distance) C4'-P energy: -146.199 bonds (distance) P-C4' energy: -142.070 flat angles C4'-P-C4' energy: -165.143 flat angles P-C4'-P energy: -118.552 tors. eta vs tors. theta energy: -202.668 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: 222 Temperature: 1.000000 Total energy: -2422.111423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.111423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.111423 (E_RNA) where: Base-Base interactions energy: -1624.891 where: short stacking energy: -732.033 Base-Backbone interact. energy: -2.384 local terms energy: -794.836185 where: bonds (distance) C4'-P energy: -149.648 bonds (distance) P-C4' energy: -151.612 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -109.775 tors. eta vs tors. theta energy: -224.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2362.618059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.618059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.618059 (E_RNA) where: Base-Base interactions energy: -1602.338 where: short stacking energy: -703.389 Base-Backbone interact. energy: -1.535 local terms energy: -758.744936 where: bonds (distance) C4'-P energy: -152.919 bonds (distance) P-C4' energy: -143.266 flat angles C4'-P-C4' energy: -152.458 flat angles P-C4'-P energy: -117.078 tors. eta vs tors. theta energy: -193.023 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: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2165.481218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.481218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.481218 (E_RNA) where: Base-Base interactions energy: -1478.787 where: short stacking energy: -653.396 Base-Backbone interact. energy: 1.289 local terms energy: -687.982848 where: bonds (distance) C4'-P energy: -128.215 bonds (distance) P-C4' energy: -145.558 flat angles C4'-P-C4' energy: -149.676 flat angles P-C4'-P energy: -96.886 tors. eta vs tors. theta energy: -167.647 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: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1911.156083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.156083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.156083 (E_RNA) where: Base-Base interactions energy: -1295.620 where: short stacking energy: -563.878 Base-Backbone interact. energy: -2.401 local terms energy: -613.134757 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -133.051 flat angles C4'-P-C4' energy: -157.721 flat angles P-C4'-P energy: -70.829 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: 222 Temperature: 1.200000 Total energy: -1718.766271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.766271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.766271 (E_RNA) where: Base-Base interactions energy: -1141.312 where: short stacking energy: -502.548 Base-Backbone interact. energy: 1.392 local terms energy: -578.846249 where: bonds (distance) C4'-P energy: -129.784 bonds (distance) P-C4' energy: -113.395 flat angles C4'-P-C4' energy: -139.951 flat angles P-C4'-P energy: -84.150 tors. eta vs tors. theta energy: -111.567 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: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1472.027265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.027265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.027265 (E_RNA) where: Base-Base interactions energy: -910.857 where: short stacking energy: -406.506 Base-Backbone interact. energy: -4.012 local terms energy: -557.157410 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -125.789 flat angles C4'-P-C4' energy: -136.875 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -88.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1005.036097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.036097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.036097 (E_RNA) where: Base-Base interactions energy: -535.683 where: short stacking energy: -303.153 Base-Backbone interact. energy: 1.848 local terms energy: -471.200703 where: bonds (distance) C4'-P energy: -146.118 bonds (distance) P-C4' energy: -146.654 flat angles C4'-P-C4' energy: -98.564 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: -14.415 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -815.374100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.374100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.374100 (E_RNA) where: Base-Base interactions energy: -392.195 where: short stacking energy: -218.437 Base-Backbone interact. energy: -0.647 local terms energy: -422.532315 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -144.062 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: 10.476 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: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2681.092040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.092040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.092040 (E_RNA) where: Base-Base interactions energy: -1868.523 where: short stacking energy: -772.134 Base-Backbone interact. energy: -2.820 local terms energy: -809.748993 where: bonds (distance) C4'-P energy: -166.379 bonds (distance) P-C4' energy: -154.505 flat angles C4'-P-C4' energy: -179.668 flat angles P-C4'-P energy: -97.734 tors. eta vs tors. theta energy: -211.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2599.523837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.523837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.523837 (E_RNA) where: Base-Base interactions energy: -1811.986 where: short stacking energy: -738.711 Base-Backbone interact. energy: -7.251 local terms energy: -780.286113 where: bonds (distance) C4'-P energy: -143.243 bonds (distance) P-C4' energy: -160.245 flat angles C4'-P-C4' energy: -160.285 flat angles P-C4'-P energy: -122.453 tors. eta vs tors. theta energy: -194.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2426.596385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.596385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.596385 (E_RNA) where: Base-Base interactions energy: -1649.674 where: short stacking energy: -761.188 Base-Backbone interact. energy: -0.691 local terms energy: -776.231605 where: bonds (distance) C4'-P energy: -128.458 bonds (distance) P-C4' energy: -147.527 flat angles C4'-P-C4' energy: -160.830 flat angles P-C4'-P energy: -109.653 tors. eta vs tors. theta energy: -229.764 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: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2383.637884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.637884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.637884 (E_RNA) where: Base-Base interactions energy: -1659.389 where: short stacking energy: -727.861 Base-Backbone interact. energy: 6.214 local terms energy: -730.463105 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -152.633 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -94.948 tors. eta vs tors. theta energy: -196.197 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: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2161.940005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.940005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.940005 (E_RNA) where: Base-Base interactions energy: -1468.113 where: short stacking energy: -611.201 Base-Backbone interact. energy: -2.001 local terms energy: -691.825717 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -143.178 flat angles C4'-P-C4' energy: -153.801 flat angles P-C4'-P energy: -111.529 tors. eta vs tors. theta energy: -147.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1922.032242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.032242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.032242 (E_RNA) where: Base-Base interactions energy: -1263.129 where: short stacking energy: -561.958 Base-Backbone interact. energy: -1.260 local terms energy: -657.643235 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -142.375 flat angles C4'-P-C4' energy: -137.919 flat angles P-C4'-P energy: -90.527 tors. eta vs tors. theta energy: -143.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1661.726138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.726138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.726138 (E_RNA) where: Base-Base interactions energy: -1082.929 where: short stacking energy: -480.447 Base-Backbone interact. energy: -3.187 local terms energy: -575.610580 where: bonds (distance) C4'-P energy: -124.311 bonds (distance) P-C4' energy: -114.879 flat angles C4'-P-C4' energy: -136.417 flat angles P-C4'-P energy: -94.472 tors. eta vs tors. theta energy: -105.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1492.955652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.955652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.955652 (E_RNA) where: Base-Base interactions energy: -946.749 where: short stacking energy: -445.523 Base-Backbone interact. energy: -0.339 local terms energy: -545.867601 where: bonds (distance) C4'-P energy: -130.098 bonds (distance) P-C4' energy: -124.758 flat angles C4'-P-C4' energy: -119.474 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -96.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -983.221059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.221059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.221059 (E_RNA) where: Base-Base interactions energy: -515.792 where: short stacking energy: -258.097 Base-Backbone interact. energy: -0.341 local terms energy: -467.087589 where: bonds (distance) C4'-P energy: -112.340 bonds (distance) P-C4' energy: -151.915 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -10.875 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: 223 Temperature: 1.350000 Total energy: -703.311737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.311737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.311737 (E_RNA) where: Base-Base interactions energy: -302.157 where: short stacking energy: -192.330 Base-Backbone interact. energy: 2.915 local terms energy: -404.069739 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -141.581 flat angles C4'-P-C4' energy: -97.264 flat angles P-C4'-P energy: -49.761 tors. eta vs tors. theta energy: 29.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2665.523539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.523539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.523539 (E_RNA) where: Base-Base interactions energy: -1850.880 where: short stacking energy: -748.450 Base-Backbone interact. energy: 0.775 local terms energy: -815.419454 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -175.093 flat angles C4'-P-C4' energy: -166.571 flat angles P-C4'-P energy: -121.333 tors. eta vs tors. theta energy: -207.531 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: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2570.261783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.261783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.261783 (E_RNA) where: Base-Base interactions energy: -1784.341 where: short stacking energy: -705.717 Base-Backbone interact. energy: -2.035 local terms energy: -783.885398 where: bonds (distance) C4'-P energy: -154.727 bonds (distance) P-C4' energy: -142.430 flat angles C4'-P-C4' energy: -165.291 flat angles P-C4'-P energy: -122.407 tors. eta vs tors. theta energy: -199.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2434.687268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.687268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.687268 (E_RNA) where: Base-Base interactions energy: -1622.419 where: short stacking energy: -772.233 Base-Backbone interact. energy: -1.048 local terms energy: -811.220433 where: bonds (distance) C4'-P energy: -139.700 bonds (distance) P-C4' energy: -148.790 flat angles C4'-P-C4' energy: -175.322 flat angles P-C4'-P energy: -117.049 tors. eta vs tors. theta energy: -230.359 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: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2352.440241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.440241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.440241 (E_RNA) where: Base-Base interactions energy: -1614.036 where: short stacking energy: -712.785 Base-Backbone interact. energy: -2.292 local terms energy: -736.112709 where: bonds (distance) C4'-P energy: -136.106 bonds (distance) P-C4' energy: -161.069 flat angles C4'-P-C4' energy: -145.874 flat angles P-C4'-P energy: -95.884 tors. eta vs tors. theta energy: -197.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2146.029883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.029883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.029883 (E_RNA) where: Base-Base interactions energy: -1450.322 where: short stacking energy: -630.743 Base-Backbone interact. energy: 1.515 local terms energy: -697.223351 where: bonds (distance) C4'-P energy: -138.814 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -162.037 flat angles P-C4'-P energy: -102.173 tors. eta vs tors. theta energy: -160.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1941.600374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.600374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.600374 (E_RNA) where: Base-Base interactions energy: -1285.346 where: short stacking energy: -588.273 Base-Backbone interact. energy: -0.863 local terms energy: -655.392276 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -139.581 flat angles C4'-P-C4' energy: -154.776 flat angles P-C4'-P energy: -87.499 tors. eta vs tors. theta energy: -163.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1697.871184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.871184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.871184 (E_RNA) where: Base-Base interactions energy: -1093.019 where: short stacking energy: -473.653 Base-Backbone interact. energy: -2.527 local terms energy: -602.325447 where: bonds (distance) C4'-P energy: -136.899 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -75.651 tors. eta vs tors. theta energy: -106.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1438.193308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.193308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.193308 (E_RNA) where: Base-Base interactions energy: -884.679 where: short stacking energy: -403.823 Base-Backbone interact. energy: -1.132 local terms energy: -552.382525 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -137.660 flat angles C4'-P-C4' energy: -139.218 flat angles P-C4'-P energy: -73.403 tors. eta vs tors. theta energy: -74.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1020.885563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.885563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.885563 (E_RNA) where: Base-Base interactions energy: -557.291 where: short stacking energy: -314.587 Base-Backbone interact. energy: 10.714 local terms energy: -474.308537 where: bonds (distance) C4'-P energy: -125.032 bonds (distance) P-C4' energy: -132.079 flat angles C4'-P-C4' energy: -123.857 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -21.762 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: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -633.397724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.397724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.397724 (E_RNA) where: Base-Base interactions energy: -267.834 where: short stacking energy: -173.587 Base-Backbone interact. energy: -1.674 local terms energy: -363.889832 where: bonds (distance) C4'-P energy: -117.230 bonds (distance) P-C4' energy: -102.633 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -76.944 tors. eta vs tors. theta energy: 28.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2697.192429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.192429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.192429 (E_RNA) where: Base-Base interactions energy: -1892.590 where: short stacking energy: -753.419 Base-Backbone interact. energy: -2.588 local terms energy: -802.014219 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -174.018 flat angles C4'-P-C4' energy: -171.243 flat angles P-C4'-P energy: -104.993 tors. eta vs tors. theta energy: -216.213 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: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2567.655647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.655647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.655647 (E_RNA) where: Base-Base interactions energy: -1788.099 where: short stacking energy: -733.201 Base-Backbone interact. energy: -4.658 local terms energy: -774.898621 where: bonds (distance) C4'-P energy: -152.318 bonds (distance) P-C4' energy: -151.565 flat angles C4'-P-C4' energy: -168.601 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -199.123 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: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2443.494275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.494275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.494275 (E_RNA) where: Base-Base interactions energy: -1618.725 where: short stacking energy: -743.291 Base-Backbone interact. energy: -0.493 local terms energy: -824.275789 where: bonds (distance) C4'-P energy: -152.550 bonds (distance) P-C4' energy: -174.618 flat angles C4'-P-C4' energy: -156.231 flat angles P-C4'-P energy: -120.055 tors. eta vs tors. theta energy: -220.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2336.943838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.943838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.943838 (E_RNA) where: Base-Base interactions energy: -1590.759 where: short stacking energy: -706.116 Base-Backbone interact. energy: -1.234 local terms energy: -744.950602 where: bonds (distance) C4'-P energy: -150.259 bonds (distance) P-C4' energy: -144.620 flat angles C4'-P-C4' energy: -163.535 flat angles P-C4'-P energy: -102.278 tors. eta vs tors. theta energy: -184.258 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: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2155.036025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.036025 (E_RNA) where: Base-Base interactions energy: -1476.102 where: short stacking energy: -624.066 Base-Backbone interact. energy: 6.458 local terms energy: -685.391873 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -138.438 flat angles P-C4'-P energy: -108.755 tors. eta vs tors. theta energy: -156.308 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: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1926.505003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.505003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.505003 (E_RNA) where: Base-Base interactions energy: -1291.650 where: short stacking energy: -562.232 Base-Backbone interact. energy: -2.499 local terms energy: -632.355573 where: bonds (distance) C4'-P energy: -129.507 bonds (distance) P-C4' energy: -130.721 flat angles C4'-P-C4' energy: -145.237 flat angles P-C4'-P energy: -91.331 tors. eta vs tors. theta energy: -135.560 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: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1753.162574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.162574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.162574 (E_RNA) where: Base-Base interactions energy: -1119.639 where: short stacking energy: -498.154 Base-Backbone interact. energy: 2.086 local terms energy: -635.610016 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -162.123 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -118.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1482.325855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.325855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.325855 (E_RNA) where: Base-Base interactions energy: -924.188 where: short stacking energy: -409.028 Base-Backbone interact. energy: 0.921 local terms energy: -559.058907 where: bonds (distance) C4'-P energy: -127.716 bonds (distance) P-C4' energy: -139.520 flat angles C4'-P-C4' energy: -135.708 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -79.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1026.361262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.361262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.361262 (E_RNA) where: Base-Base interactions energy: -561.269 where: short stacking energy: -309.978 Base-Backbone interact. energy: -0.321 local terms energy: -464.771110 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -118.682 flat angles C4'-P-C4' energy: -134.172 flat angles P-C4'-P energy: -84.617 tors. eta vs tors. theta energy: -21.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -680.941755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.941755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.941755 (E_RNA) where: Base-Base interactions energy: -298.118 where: short stacking energy: -209.297 Base-Backbone interact. energy: 1.733 local terms energy: -384.556756 where: bonds (distance) C4'-P energy: -114.535 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -98.093 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: 15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2680.552945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.552945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.552945 (E_RNA) where: Base-Base interactions energy: -1896.920 where: short stacking energy: -751.533 Base-Backbone interact. energy: -6.123 local terms energy: -777.509752 where: bonds (distance) C4'-P energy: -140.029 bonds (distance) P-C4' energy: -142.997 flat angles C4'-P-C4' energy: -169.479 flat angles P-C4'-P energy: -113.430 tors. eta vs tors. theta energy: -211.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2549.886184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.886184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.886184 (E_RNA) where: Base-Base interactions energy: -1754.958 where: short stacking energy: -700.181 Base-Backbone interact. energy: -4.371 local terms energy: -790.556846 where: bonds (distance) C4'-P energy: -164.150 bonds (distance) P-C4' energy: -155.057 flat angles C4'-P-C4' energy: -148.023 flat angles P-C4'-P energy: -111.261 tors. eta vs tors. theta energy: -212.066 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: 226 Temperature: 1.000000 Total energy: -2435.246279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.246279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.246279 (E_RNA) where: Base-Base interactions energy: -1608.568 where: short stacking energy: -749.636 Base-Backbone interact. energy: -1.658 local terms energy: -825.020111 where: bonds (distance) C4'-P energy: -160.076 bonds (distance) P-C4' energy: -155.645 flat angles C4'-P-C4' energy: -164.832 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -232.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2320.637579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.637579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.637579 (E_RNA) where: Base-Base interactions energy: -1600.825 where: short stacking energy: -700.738 Base-Backbone interact. energy: 0.703 local terms energy: -720.515617 where: bonds (distance) C4'-P energy: -115.743 bonds (distance) P-C4' energy: -146.624 flat angles C4'-P-C4' energy: -157.875 flat angles P-C4'-P energy: -101.666 tors. eta vs tors. theta energy: -198.608 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2183.003890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.003890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.003890 (E_RNA) where: Base-Base interactions energy: -1507.880 where: short stacking energy: -655.150 Base-Backbone interact. energy: -1.912 local terms energy: -673.211363 where: bonds (distance) C4'-P energy: -123.291 bonds (distance) P-C4' energy: -133.804 flat angles C4'-P-C4' energy: -150.347 flat angles P-C4'-P energy: -105.218 tors. eta vs tors. theta energy: -160.552 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: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1906.152877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.152877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.152877 (E_RNA) where: Base-Base interactions energy: -1282.083 where: short stacking energy: -556.574 Base-Backbone interact. energy: -3.048 local terms energy: -621.021495 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -125.187 flat angles C4'-P-C4' energy: -145.069 flat angles P-C4'-P energy: -95.259 tors. eta vs tors. theta energy: -134.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1718.316272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.316272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.316272 (E_RNA) where: Base-Base interactions energy: -1107.017 where: short stacking energy: -485.793 Base-Backbone interact. energy: -3.018 local terms energy: -608.281256 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -152.657 flat angles P-C4'-P energy: -98.661 tors. eta vs tors. theta energy: -105.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1431.317788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.317788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.317788 (E_RNA) where: Base-Base interactions energy: -905.472 where: short stacking energy: -419.194 Base-Backbone interact. energy: 2.819 local terms energy: -528.664016 where: bonds (distance) C4'-P energy: -121.751 bonds (distance) P-C4' energy: -134.752 flat angles C4'-P-C4' energy: -124.667 flat angles P-C4'-P energy: -70.160 tors. eta vs tors. theta energy: -77.333 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1048.390303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.390303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.390303 (E_RNA) where: Base-Base interactions energy: -553.149 where: short stacking energy: -298.586 Base-Backbone interact. energy: 0.704 local terms energy: -495.945769 where: bonds (distance) C4'-P energy: -122.840 bonds (distance) P-C4' energy: -125.855 flat angles C4'-P-C4' energy: -130.106 flat angles P-C4'-P energy: -84.673 tors. eta vs tors. theta energy: -32.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -718.103460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.103460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.103460 (E_RNA) where: Base-Base interactions energy: -363.796 where: short stacking energy: -220.460 Base-Backbone interact. energy: 5.609 local terms energy: -359.916060 where: bonds (distance) C4'-P energy: -89.982 bonds (distance) P-C4' energy: -125.250 flat angles C4'-P-C4' energy: -116.738 flat angles P-C4'-P energy: -51.688 tors. eta vs tors. theta energy: 23.743 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: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2688.289051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.289051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.289051 (E_RNA) where: Base-Base interactions energy: -1879.019 where: short stacking energy: -755.067 Base-Backbone interact. energy: -4.514 local terms energy: -804.756440 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -157.092 flat angles C4'-P-C4' energy: -167.310 flat angles P-C4'-P energy: -113.399 tors. eta vs tors. theta energy: -221.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2583.039528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.039528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.039528 (E_RNA) where: Base-Base interactions energy: -1829.769 where: short stacking energy: -712.371 Base-Backbone interact. energy: -4.809 local terms energy: -748.461646 where: bonds (distance) C4'-P energy: -149.074 bonds (distance) P-C4' energy: -144.135 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -110.735 tors. eta vs tors. theta energy: -199.870 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: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2409.777037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.777037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.777037 (E_RNA) where: Base-Base interactions energy: -1621.019 where: short stacking energy: -743.681 Base-Backbone interact. energy: -3.114 local terms energy: -785.644231 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -129.728 flat angles C4'-P-C4' energy: -183.087 flat angles P-C4'-P energy: -116.331 tors. eta vs tors. theta energy: -212.345 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: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2359.405128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.405128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.405128 (E_RNA) where: Base-Base interactions energy: -1599.224 where: short stacking energy: -700.717 Base-Backbone interact. energy: -1.318 local terms energy: -758.862938 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -142.638 flat angles C4'-P-C4' energy: -172.457 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -197.542 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2230.398900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.398900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.398900 (E_RNA) where: Base-Base interactions energy: -1546.322 where: short stacking energy: -642.747 Base-Backbone interact. energy: -0.044 local terms energy: -684.032877 where: bonds (distance) C4'-P energy: -122.842 bonds (distance) P-C4' energy: -137.568 flat angles C4'-P-C4' energy: -167.797 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -159.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2006.569892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.569892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.569892 (E_RNA) where: Base-Base interactions energy: -1331.934 where: short stacking energy: -586.646 Base-Backbone interact. energy: 0.260 local terms energy: -674.895912 where: bonds (distance) C4'-P energy: -138.497 bonds (distance) P-C4' energy: -137.865 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -105.252 tors. eta vs tors. theta energy: -164.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1750.055677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.055677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.055677 (E_RNA) where: Base-Base interactions energy: -1147.990 where: short stacking energy: -537.375 Base-Backbone interact. energy: -1.613 local terms energy: -600.452127 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -122.478 flat angles C4'-P-C4' energy: -148.870 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -109.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1403.586373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.586373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.586373 (E_RNA) where: Base-Base interactions energy: -865.442 where: short stacking energy: -382.740 Base-Backbone interact. energy: -3.432 local terms energy: -534.711695 where: bonds (distance) C4'-P energy: -109.862 bonds (distance) P-C4' energy: -127.607 flat angles C4'-P-C4' energy: -132.321 flat angles P-C4'-P energy: -86.364 tors. eta vs tors. theta energy: -78.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1059.582998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.582998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.582998 (E_RNA) where: Base-Base interactions energy: -622.575 where: short stacking energy: -336.844 Base-Backbone interact. energy: 0.808 local terms energy: -437.816313 where: bonds (distance) C4'-P energy: -110.078 bonds (distance) P-C4' energy: -107.269 flat angles C4'-P-C4' energy: -109.931 flat angles P-C4'-P energy: -69.881 tors. eta vs tors. theta energy: -40.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -820.957243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.957243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.957243 (E_RNA) where: Base-Base interactions energy: -405.737 where: short stacking energy: -222.811 Base-Backbone interact. energy: -1.326 local terms energy: -413.894173 where: bonds (distance) C4'-P energy: -118.789 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -67.323 tors. eta vs tors. theta energy: 1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2610.907547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.907547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.907547 (E_RNA) where: Base-Base interactions energy: -1827.698 where: short stacking energy: -714.787 Base-Backbone interact. energy: 0.234 local terms energy: -783.443640 where: bonds (distance) C4'-P energy: -159.565 bonds (distance) P-C4' energy: -155.024 flat angles C4'-P-C4' energy: -166.403 flat angles P-C4'-P energy: -111.207 tors. eta vs tors. theta energy: -191.244 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: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2602.287648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.287648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.287648 (E_RNA) where: Base-Base interactions energy: -1808.327 where: short stacking energy: -728.996 Base-Backbone interact. energy: -1.744 local terms energy: -792.216587 where: bonds (distance) C4'-P energy: -153.438 bonds (distance) P-C4' energy: -164.978 flat angles C4'-P-C4' energy: -170.404 flat angles P-C4'-P energy: -97.395 tors. eta vs tors. theta energy: -206.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2418.342144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.342144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.342144 (E_RNA) where: Base-Base interactions energy: -1604.883 where: short stacking energy: -739.936 Base-Backbone interact. energy: -5.191 local terms energy: -808.267571 where: bonds (distance) C4'-P energy: -130.449 bonds (distance) P-C4' energy: -144.790 flat angles C4'-P-C4' energy: -176.835 flat angles P-C4'-P energy: -126.012 tors. eta vs tors. theta energy: -230.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2363.485441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.485441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.485441 (E_RNA) where: Base-Base interactions energy: -1611.019 where: short stacking energy: -714.913 Base-Backbone interact. energy: -1.692 local terms energy: -750.774283 where: bonds (distance) C4'-P energy: -153.378 bonds (distance) P-C4' energy: -140.143 flat angles C4'-P-C4' energy: -156.335 flat angles P-C4'-P energy: -106.739 tors. eta vs tors. theta energy: -194.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2209.585715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.585715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.585715 (E_RNA) where: Base-Base interactions energy: -1539.884 where: short stacking energy: -615.081 Base-Backbone interact. energy: 1.079 local terms energy: -670.781345 where: bonds (distance) C4'-P energy: -140.195 bonds (distance) P-C4' energy: -131.719 flat angles C4'-P-C4' energy: -139.692 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -161.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2051.132972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.132972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.132972 (E_RNA) where: Base-Base interactions energy: -1390.480 where: short stacking energy: -611.879 Base-Backbone interact. energy: 0.662 local terms energy: -661.315037 where: bonds (distance) C4'-P energy: -114.387 bonds (distance) P-C4' energy: -136.992 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -101.082 tors. eta vs tors. theta energy: -154.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1729.707724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.707724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.707724 (E_RNA) where: Base-Base interactions energy: -1125.851 where: short stacking energy: -503.287 Base-Backbone interact. energy: -0.213 local terms energy: -603.643273 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -138.402 flat angles C4'-P-C4' energy: -134.642 flat angles P-C4'-P energy: -88.841 tors. eta vs tors. theta energy: -116.100 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: 228 Temperature: 1.250000 Total energy: -1441.352146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.352146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.352146 (E_RNA) where: Base-Base interactions energy: -910.050 where: short stacking energy: -428.177 Base-Backbone interact. energy: 1.459 local terms energy: -532.760796 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -128.144 flat angles C4'-P-C4' energy: -129.612 flat angles P-C4'-P energy: -79.422 tors. eta vs tors. theta energy: -79.623 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1013.167677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.167677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.167677 (E_RNA) where: Base-Base interactions energy: -595.431 where: short stacking energy: -262.110 Base-Backbone interact. energy: 6.558 local terms energy: -424.294484 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -107.351 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: 10.523 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: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -888.987850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.987850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.987850 (E_RNA) where: Base-Base interactions energy: -489.807 where: short stacking energy: -259.092 Base-Backbone interact. energy: 0.194 local terms energy: -399.374610 where: bonds (distance) C4'-P energy: -130.372 bonds (distance) P-C4' energy: -120.885 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -4.276 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: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2608.573963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.573963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.573963 (E_RNA) where: Base-Base interactions energy: -1862.723 where: short stacking energy: -717.098 Base-Backbone interact. energy: -9.182 local terms energy: -736.669385 where: bonds (distance) C4'-P energy: -140.630 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -158.124 flat angles P-C4'-P energy: -113.601 tors. eta vs tors. theta energy: -178.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2596.543507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.543507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.543507 (E_RNA) where: Base-Base interactions energy: -1821.565 where: short stacking energy: -730.918 Base-Backbone interact. energy: -6.190 local terms energy: -768.788638 where: bonds (distance) C4'-P energy: -143.217 bonds (distance) P-C4' energy: -149.344 flat angles C4'-P-C4' energy: -167.924 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -197.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2410.341051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.341051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.341051 (E_RNA) where: Base-Base interactions energy: -1645.248 where: short stacking energy: -747.564 Base-Backbone interact. energy: -0.201 local terms energy: -764.892554 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -162.411 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -224.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2374.331398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.331398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.331398 (E_RNA) where: Base-Base interactions energy: -1636.867 where: short stacking energy: -705.000 Base-Backbone interact. energy: 6.821 local terms energy: -744.285455 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -133.578 flat angles C4'-P-C4' energy: -154.793 flat angles P-C4'-P energy: -101.381 tors. eta vs tors. theta energy: -212.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2206.669611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.669611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.669611 (E_RNA) where: Base-Base interactions energy: -1538.976 where: short stacking energy: -625.047 Base-Backbone interact. energy: 1.048 local terms energy: -668.741870 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -142.728 flat angles C4'-P-C4' energy: -144.125 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -151.994 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: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2007.697494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.697494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.697494 (E_RNA) where: Base-Base interactions energy: -1353.573 where: short stacking energy: -607.665 Base-Backbone interact. energy: -2.153 local terms energy: -651.971992 where: bonds (distance) C4'-P energy: -109.668 bonds (distance) P-C4' energy: -121.617 flat angles C4'-P-C4' energy: -139.440 flat angles P-C4'-P energy: -102.483 tors. eta vs tors. theta energy: -178.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1700.378568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.378568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.378568 (E_RNA) where: Base-Base interactions energy: -1117.523 where: short stacking energy: -492.412 Base-Backbone interact. energy: -2.113 local terms energy: -580.743349 where: bonds (distance) C4'-P energy: -124.732 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -130.200 flat angles P-C4'-P energy: -79.565 tors. eta vs tors. theta energy: -109.733 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: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1402.565865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.565865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.565865 (E_RNA) where: Base-Base interactions energy: -875.504 where: short stacking energy: -419.872 Base-Backbone interact. energy: 4.942 local terms energy: -532.003438 where: bonds (distance) C4'-P energy: -122.909 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -118.896 flat angles P-C4'-P energy: -76.827 tors. eta vs tors. theta energy: -66.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1019.271413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.271413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.271413 (E_RNA) where: Base-Base interactions energy: -599.646 where: short stacking energy: -298.836 Base-Backbone interact. energy: 1.347 local terms energy: -420.972892 where: bonds (distance) C4'-P energy: -115.869 bonds (distance) P-C4' energy: -121.480 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -71.365 tors. eta vs tors. theta energy: -21.549 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: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -835.327186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.327186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.327186 (E_RNA) where: Base-Base interactions energy: -419.542 where: short stacking energy: -235.317 Base-Backbone interact. energy: 8.481 local terms energy: -424.266391 where: bonds (distance) C4'-P energy: -131.609 bonds (distance) P-C4' energy: -133.136 flat angles C4'-P-C4' energy: -99.903 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: 4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2596.144880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.144880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.144880 (E_RNA) where: Base-Base interactions energy: -1815.584 where: short stacking energy: -735.248 Base-Backbone interact. energy: -5.669 local terms energy: -774.891490 where: bonds (distance) C4'-P energy: -160.895 bonds (distance) P-C4' energy: -156.634 flat angles C4'-P-C4' energy: -163.749 flat angles P-C4'-P energy: -96.526 tors. eta vs tors. theta energy: -197.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2575.773661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.773661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.773661 (E_RNA) where: Base-Base interactions energy: -1802.245 where: short stacking energy: -720.294 Base-Backbone interact. energy: -2.643 local terms energy: -770.884845 where: bonds (distance) C4'-P energy: -151.299 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -169.945 flat angles P-C4'-P energy: -117.193 tors. eta vs tors. theta energy: -188.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2430.972567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.972567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.972567 (E_RNA) where: Base-Base interactions energy: -1620.935 where: short stacking energy: -766.026 Base-Backbone interact. energy: -5.694 local terms energy: -804.343519 where: bonds (distance) C4'-P energy: -140.357 bonds (distance) P-C4' energy: -143.164 flat angles C4'-P-C4' energy: -168.059 flat angles P-C4'-P energy: -122.076 tors. eta vs tors. theta energy: -230.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2330.661839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.661839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.661839 (E_RNA) where: Base-Base interactions energy: -1595.834 where: short stacking energy: -701.894 Base-Backbone interact. energy: -0.529 local terms energy: -734.299176 where: bonds (distance) C4'-P energy: -140.434 bonds (distance) P-C4' energy: -128.888 flat angles C4'-P-C4' energy: -148.665 flat angles P-C4'-P energy: -112.276 tors. eta vs tors. theta energy: -204.036 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: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2242.766036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.766036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.766036 (E_RNA) where: Base-Base interactions energy: -1564.019 where: short stacking energy: -647.046 Base-Backbone interact. energy: 5.146 local terms energy: -683.893573 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -139.461 flat angles C4'-P-C4' energy: -154.903 flat angles P-C4'-P energy: -100.618 tors. eta vs tors. theta energy: -158.360 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: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2023.142410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.142410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.142410 (E_RNA) where: Base-Base interactions energy: -1335.550 where: short stacking energy: -598.601 Base-Backbone interact. energy: 1.327 local terms energy: -688.919529 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -143.779 flat angles C4'-P-C4' energy: -155.088 flat angles P-C4'-P energy: -91.789 tors. eta vs tors. theta energy: -157.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1732.075234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.075234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.075234 (E_RNA) where: Base-Base interactions energy: -1121.436 where: short stacking energy: -481.346 Base-Backbone interact. energy: 2.496 local terms energy: -613.135909 where: bonds (distance) C4'-P energy: -136.956 bonds (distance) P-C4' energy: -130.256 flat angles C4'-P-C4' energy: -146.987 flat angles P-C4'-P energy: -100.432 tors. eta vs tors. theta energy: -98.505 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: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1416.047071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.047071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.047071 (E_RNA) where: Base-Base interactions energy: -895.788 where: short stacking energy: -414.004 Base-Backbone interact. energy: -1.033 local terms energy: -519.226036 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -120.683 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -68.209 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: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1053.018856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.018856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.018856 (E_RNA) where: Base-Base interactions energy: -580.597 where: short stacking energy: -270.651 Base-Backbone interact. energy: 3.291 local terms energy: -475.712739 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -130.315 flat angles C4'-P-C4' energy: -128.251 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -16.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -853.172085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.172085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.172085 (E_RNA) where: Base-Base interactions energy: -431.981 where: short stacking energy: -220.071 Base-Backbone interact. energy: 11.657 local terms energy: -432.848872 where: bonds (distance) C4'-P energy: -114.996 bonds (distance) P-C4' energy: -142.416 flat angles C4'-P-C4' energy: -103.427 flat angles P-C4'-P energy: -67.122 tors. eta vs tors. theta energy: -4.888 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: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2629.161360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.161360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.161360 (E_RNA) where: Base-Base interactions energy: -1819.398 where: short stacking energy: -734.230 Base-Backbone interact. energy: -3.378 local terms energy: -806.385075 where: bonds (distance) C4'-P energy: -146.606 bonds (distance) P-C4' energy: -165.923 flat angles C4'-P-C4' energy: -174.936 flat angles P-C4'-P energy: -114.158 tors. eta vs tors. theta energy: -204.762 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: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2570.959233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.959233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.959233 (E_RNA) where: Base-Base interactions energy: -1811.368 where: short stacking energy: -710.348 Base-Backbone interact. energy: -3.433 local terms energy: -756.157625 where: bonds (distance) C4'-P energy: -140.693 bonds (distance) P-C4' energy: -162.461 flat angles C4'-P-C4' energy: -159.171 flat angles P-C4'-P energy: -108.764 tors. eta vs tors. theta energy: -185.068 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: 231 Temperature: 1.000000 Total energy: -2444.082554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.082554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.082554 (E_RNA) where: Base-Base interactions energy: -1650.878 where: short stacking energy: -736.983 Base-Backbone interact. energy: 0.685 local terms energy: -793.889066 where: bonds (distance) C4'-P energy: -137.809 bonds (distance) P-C4' energy: -156.170 flat angles C4'-P-C4' energy: -160.436 flat angles P-C4'-P energy: -115.069 tors. eta vs tors. theta energy: -224.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2381.126534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.126534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.126534 (E_RNA) where: Base-Base interactions energy: -1611.414 where: short stacking energy: -754.377 Base-Backbone interact. energy: 6.188 local terms energy: -775.901061 where: bonds (distance) C4'-P energy: -120.445 bonds (distance) P-C4' energy: -144.426 flat angles C4'-P-C4' energy: -175.801 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -219.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2215.436816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.436816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.436816 (E_RNA) where: Base-Base interactions energy: -1536.115 where: short stacking energy: -625.339 Base-Backbone interact. energy: -3.015 local terms energy: -676.306718 where: bonds (distance) C4'-P energy: -136.224 bonds (distance) P-C4' energy: -136.330 flat angles C4'-P-C4' energy: -135.941 flat angles P-C4'-P energy: -107.500 tors. eta vs tors. theta energy: -160.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2033.132000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.132000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.132000 (E_RNA) where: Base-Base interactions energy: -1376.946 where: short stacking energy: -632.988 Base-Backbone interact. energy: -2.765 local terms energy: -653.421145 where: bonds (distance) C4'-P energy: -115.806 bonds (distance) P-C4' energy: -115.423 flat angles C4'-P-C4' energy: -154.645 flat angles P-C4'-P energy: -91.659 tors. eta vs tors. theta energy: -175.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1688.674471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.674471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.674471 (E_RNA) where: Base-Base interactions energy: -1091.446 where: short stacking energy: -486.053 Base-Backbone interact. energy: -1.453 local terms energy: -595.775098 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -107.435 flat angles C4'-P-C4' energy: -142.056 flat angles P-C4'-P energy: -104.034 tors. eta vs tors. theta energy: -106.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1452.538198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.538198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.538198 (E_RNA) where: Base-Base interactions energy: -934.109 where: short stacking energy: -413.444 Base-Backbone interact. energy: -5.163 local terms energy: -513.266395 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -132.570 flat angles P-C4'-P energy: -65.840 tors. eta vs tors. theta energy: -68.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1042.991814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.991814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.991814 (E_RNA) where: Base-Base interactions energy: -586.878 where: short stacking energy: -286.511 Base-Backbone interact. energy: -1.544 local terms energy: -454.569680 where: bonds (distance) C4'-P energy: -134.636 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -3.294 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: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -836.967174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.967174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.967174 (E_RNA) where: Base-Base interactions energy: -429.073 where: short stacking energy: -241.059 Base-Backbone interact. energy: 2.502 local terms energy: -410.396634 where: bonds (distance) C4'-P energy: -139.323 bonds (distance) P-C4' energy: -118.895 flat angles C4'-P-C4' energy: -105.327 flat angles P-C4'-P energy: -46.183 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2635.743514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.743514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.743514 (E_RNA) where: Base-Base interactions energy: -1843.004 where: short stacking energy: -717.989 Base-Backbone interact. energy: -9.514 local terms energy: -783.226061 where: bonds (distance) C4'-P energy: -161.586 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -166.644 flat angles P-C4'-P energy: -117.459 tors. eta vs tors. theta energy: -192.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2586.800336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.800336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.800336 (E_RNA) where: Base-Base interactions energy: -1823.975 where: short stacking energy: -690.592 Base-Backbone interact. energy: 6.749 local terms energy: -769.573921 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -143.383 flat angles C4'-P-C4' energy: -173.163 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -191.659 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2494.498171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.498171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.498171 (E_RNA) where: Base-Base interactions energy: -1670.925 where: short stacking energy: -745.850 Base-Backbone interact. energy: -4.209 local terms energy: -819.364205 where: bonds (distance) C4'-P energy: -164.502 bonds (distance) P-C4' energy: -146.825 flat angles C4'-P-C4' energy: -169.125 flat angles P-C4'-P energy: -115.253 tors. eta vs tors. theta energy: -223.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2348.060662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.060662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.060662 (E_RNA) where: Base-Base interactions energy: -1629.514 where: short stacking energy: -688.115 Base-Backbone interact. energy: 0.192 local terms energy: -718.739478 where: bonds (distance) C4'-P energy: -129.373 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -162.918 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -191.846 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: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2211.559863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.559863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.559863 (E_RNA) where: Base-Base interactions energy: -1531.847 where: short stacking energy: -637.245 Base-Backbone interact. energy: -0.632 local terms energy: -679.081718 where: bonds (distance) C4'-P energy: -121.551 bonds (distance) P-C4' energy: -142.964 flat angles C4'-P-C4' energy: -149.873 flat angles P-C4'-P energy: -94.192 tors. eta vs tors. theta energy: -170.502 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: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2045.156711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.156711 (E_RNA) where: Base-Base interactions energy: -1331.688 where: short stacking energy: -621.883 Base-Backbone interact. energy: -0.194 local terms energy: -713.274617 where: bonds (distance) C4'-P energy: -126.309 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -161.741 flat angles P-C4'-P energy: -108.239 tors. eta vs tors. theta energy: -166.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1716.223653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.223653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.223653 (E_RNA) where: Base-Base interactions energy: -1123.623 where: short stacking energy: -507.658 Base-Backbone interact. energy: -0.712 local terms energy: -591.888554 where: bonds (distance) C4'-P energy: -123.038 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -144.558 flat angles P-C4'-P energy: -89.064 tors. eta vs tors. theta energy: -118.113 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1431.383853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.383853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.383853 (E_RNA) where: Base-Base interactions energy: -896.664 where: short stacking energy: -393.874 Base-Backbone interact. energy: 4.169 local terms energy: -538.888811 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -109.392 flat angles C4'-P-C4' energy: -127.080 flat angles P-C4'-P energy: -99.846 tors. eta vs tors. theta energy: -66.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1055.144008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.144008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.144008 (E_RNA) where: Base-Base interactions energy: -624.860 where: short stacking energy: -294.365 Base-Backbone interact. energy: 0.675 local terms energy: -430.958519 where: bonds (distance) C4'-P energy: -133.621 bonds (distance) P-C4' energy: -123.544 flat angles C4'-P-C4' energy: -93.757 flat angles P-C4'-P energy: -75.002 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -812.281050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.281050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.281050 (E_RNA) where: Base-Base interactions energy: -370.561 where: short stacking energy: -217.273 Base-Backbone interact. energy: -4.460 local terms energy: -437.260054 where: bonds (distance) C4'-P energy: -137.255 bonds (distance) P-C4' energy: -134.226 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -4.623 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: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2649.995423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.995423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.995423 (E_RNA) where: Base-Base interactions energy: -1847.151 where: short stacking energy: -737.386 Base-Backbone interact. energy: -6.935 local terms energy: -795.909250 where: bonds (distance) C4'-P energy: -152.691 bonds (distance) P-C4' energy: -164.154 flat angles C4'-P-C4' energy: -170.405 flat angles P-C4'-P energy: -103.606 tors. eta vs tors. theta energy: -205.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2627.346303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.346303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.346303 (E_RNA) where: Base-Base interactions energy: -1861.141 where: short stacking energy: -702.326 Base-Backbone interact. energy: -5.732 local terms energy: -760.473248 where: bonds (distance) C4'-P energy: -133.995 bonds (distance) P-C4' energy: -152.357 flat angles C4'-P-C4' energy: -177.966 flat angles P-C4'-P energy: -117.491 tors. eta vs tors. theta energy: -178.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2471.169730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.169730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.169730 (E_RNA) where: Base-Base interactions energy: -1680.923 where: short stacking energy: -761.569 Base-Backbone interact. energy: -4.312 local terms energy: -785.934919 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -175.366 flat angles P-C4'-P energy: -106.989 tors. eta vs tors. theta energy: -228.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2343.222866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.222866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.222866 (E_RNA) where: Base-Base interactions energy: -1599.131 where: short stacking energy: -703.055 Base-Backbone interact. energy: 1.703 local terms energy: -745.795456 where: bonds (distance) C4'-P energy: -134.482 bonds (distance) P-C4' energy: -142.510 flat angles C4'-P-C4' energy: -155.474 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -204.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2203.778082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.778082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.778082 (E_RNA) where: Base-Base interactions energy: -1512.054 where: short stacking energy: -639.250 Base-Backbone interact. energy: -2.228 local terms energy: -689.496859 where: bonds (distance) C4'-P energy: -138.063 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -105.473 tors. eta vs tors. theta energy: -162.993 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: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2032.324616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.324616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.324616 (E_RNA) where: Base-Base interactions energy: -1359.555 where: short stacking energy: -620.928 Base-Backbone interact. energy: 0.575 local terms energy: -673.345261 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -132.460 flat angles C4'-P-C4' energy: -142.935 flat angles P-C4'-P energy: -97.126 tors. eta vs tors. theta energy: -161.829 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: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1758.148290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.148290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.148290 (E_RNA) where: Base-Base interactions energy: -1150.704 where: short stacking energy: -515.100 Base-Backbone interact. energy: -0.647 local terms energy: -606.797459 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -125.390 flat angles C4'-P-C4' energy: -145.575 flat angles P-C4'-P energy: -91.483 tors. eta vs tors. theta energy: -120.969 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: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1583.530307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.530307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.530307 (E_RNA) where: Base-Base interactions energy: -1022.867 where: short stacking energy: -444.513 Base-Backbone interact. energy: 3.069 local terms energy: -563.732040 where: bonds (distance) C4'-P energy: -129.303 bonds (distance) P-C4' energy: -142.387 flat angles C4'-P-C4' energy: -121.391 flat angles P-C4'-P energy: -83.173 tors. eta vs tors. theta energy: -87.478 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: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1170.065890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.065890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.065890 (E_RNA) where: Base-Base interactions energy: -701.623 where: short stacking energy: -340.526 Base-Backbone interact. energy: -0.042 local terms energy: -468.401061 where: bonds (distance) C4'-P energy: -130.730 bonds (distance) P-C4' energy: -121.945 flat angles C4'-P-C4' energy: -115.387 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -38.318 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: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -758.608497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.608497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.608497 (E_RNA) where: Base-Base interactions energy: -354.516 where: short stacking energy: -215.760 Base-Backbone interact. energy: 0.253 local terms energy: -404.345839 where: bonds (distance) C4'-P energy: -100.453 bonds (distance) P-C4' energy: -119.999 flat angles C4'-P-C4' energy: -108.129 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: -1.539 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: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2640.354913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.354913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.354913 (E_RNA) where: Base-Base interactions energy: -1857.366 where: short stacking energy: -739.475 Base-Backbone interact. energy: -1.775 local terms energy: -781.214242 where: bonds (distance) C4'-P energy: -143.495 bonds (distance) P-C4' energy: -147.251 flat angles C4'-P-C4' energy: -167.103 flat angles P-C4'-P energy: -115.977 tors. eta vs tors. theta energy: -207.389 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: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2631.304510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.304510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.304510 (E_RNA) where: Base-Base interactions energy: -1849.613 where: short stacking energy: -726.710 Base-Backbone interact. energy: 0.221 local terms energy: -781.913059 where: bonds (distance) C4'-P energy: -142.320 bonds (distance) P-C4' energy: -158.105 flat angles C4'-P-C4' energy: -170.898 flat angles P-C4'-P energy: -110.162 tors. eta vs tors. theta energy: -200.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2515.445793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.445793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.445793 (E_RNA) where: Base-Base interactions energy: -1706.116 where: short stacking energy: -780.560 Base-Backbone interact. energy: -3.534 local terms energy: -805.796416 where: bonds (distance) C4'-P energy: -137.785 bonds (distance) P-C4' energy: -153.833 flat angles C4'-P-C4' energy: -173.373 flat angles P-C4'-P energy: -111.401 tors. eta vs tors. theta energy: -229.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2365.832039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.832039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.832039 (E_RNA) where: Base-Base interactions energy: -1610.430 where: short stacking energy: -700.304 Base-Backbone interact. energy: -2.443 local terms energy: -752.958809 where: bonds (distance) C4'-P energy: -143.998 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -114.069 tors. eta vs tors. theta energy: -212.131 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: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2203.441845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.441845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.441845 (E_RNA) where: Base-Base interactions energy: -1512.036 where: short stacking energy: -640.091 Base-Backbone interact. energy: -3.058 local terms energy: -688.347259 where: bonds (distance) C4'-P energy: -140.307 bonds (distance) P-C4' energy: -143.827 flat angles C4'-P-C4' energy: -161.544 flat angles P-C4'-P energy: -81.860 tors. eta vs tors. theta energy: -160.808 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: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2011.206616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.206616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.206616 (E_RNA) where: Base-Base interactions energy: -1317.199 where: short stacking energy: -595.183 Base-Backbone interact. energy: -3.437 local terms energy: -690.570712 where: bonds (distance) C4'-P energy: -144.508 bonds (distance) P-C4' energy: -134.288 flat angles C4'-P-C4' energy: -155.096 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -167.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1693.457209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.457209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.457209 (E_RNA) where: Base-Base interactions energy: -1124.138 where: short stacking energy: -505.313 Base-Backbone interact. energy: -1.759 local terms energy: -567.560176 where: bonds (distance) C4'-P energy: -134.707 bonds (distance) P-C4' energy: -115.554 flat angles C4'-P-C4' energy: -133.934 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -97.306 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: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1529.071780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.071780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.071780 (E_RNA) where: Base-Base interactions energy: -962.499 where: short stacking energy: -417.375 Base-Backbone interact. energy: -4.574 local terms energy: -561.998621 where: bonds (distance) C4'-P energy: -136.366 bonds (distance) P-C4' energy: -139.001 flat angles C4'-P-C4' energy: -126.463 flat angles P-C4'-P energy: -86.121 tors. eta vs tors. theta energy: -74.047 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: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1126.092615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.092615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.092615 (E_RNA) where: Base-Base interactions energy: -655.652 where: short stacking energy: -338.887 Base-Backbone interact. energy: -3.727 local terms energy: -466.713337 where: bonds (distance) C4'-P energy: -109.001 bonds (distance) P-C4' energy: -135.550 flat angles C4'-P-C4' energy: -100.247 flat angles P-C4'-P energy: -95.844 tors. eta vs tors. theta energy: -26.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -789.518200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.518200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.518200 (E_RNA) where: Base-Base interactions energy: -363.703 where: short stacking energy: -219.108 Base-Backbone interact. energy: -0.090 local terms energy: -425.725488 where: bonds (distance) C4'-P energy: -123.148 bonds (distance) P-C4' energy: -128.258 flat angles C4'-P-C4' energy: -105.908 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -6.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2606.820939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.820939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.820939 (E_RNA) where: Base-Base interactions energy: -1823.520 where: short stacking energy: -741.513 Base-Backbone interact. energy: -1.756 local terms energy: -781.544441 where: bonds (distance) C4'-P energy: -147.400 bonds (distance) P-C4' energy: -151.457 flat angles C4'-P-C4' energy: -168.261 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -205.895 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: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2626.154662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.154662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.154662 (E_RNA) where: Base-Base interactions energy: -1833.347 where: short stacking energy: -737.018 Base-Backbone interact. energy: -4.915 local terms energy: -787.893457 where: bonds (distance) C4'-P energy: -158.905 bonds (distance) P-C4' energy: -151.337 flat angles C4'-P-C4' energy: -173.038 flat angles P-C4'-P energy: -106.157 tors. eta vs tors. theta energy: -198.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2539.055004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.055004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.055004 (E_RNA) where: Base-Base interactions energy: -1723.779 where: short stacking energy: -792.286 Base-Backbone interact. energy: -2.973 local terms energy: -812.302884 where: bonds (distance) C4'-P energy: -139.738 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -159.763 flat angles P-C4'-P energy: -124.596 tors. eta vs tors. theta energy: -249.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2328.832819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.832819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.832819 (E_RNA) where: Base-Base interactions energy: -1606.587 where: short stacking energy: -696.663 Base-Backbone interact. energy: -3.681 local terms energy: -718.564847 where: bonds (distance) C4'-P energy: -129.482 bonds (distance) P-C4' energy: -137.096 flat angles C4'-P-C4' energy: -162.017 flat angles P-C4'-P energy: -98.807 tors. eta vs tors. theta energy: -191.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2246.356528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.356528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.356528 (E_RNA) where: Base-Base interactions energy: -1556.240 where: short stacking energy: -669.701 Base-Backbone interact. energy: 3.514 local terms energy: -693.630140 where: bonds (distance) C4'-P energy: -150.718 bonds (distance) P-C4' energy: -137.298 flat angles C4'-P-C4' energy: -145.401 flat angles P-C4'-P energy: -94.940 tors. eta vs tors. theta energy: -165.273 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: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2018.743878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.743878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.743878 (E_RNA) where: Base-Base interactions energy: -1361.424 where: short stacking energy: -634.632 Base-Backbone interact. energy: 1.803 local terms energy: -659.122868 where: bonds (distance) C4'-P energy: -120.326 bonds (distance) P-C4' energy: -135.831 flat angles C4'-P-C4' energy: -149.865 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -162.038 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: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1798.441778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.441778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.441778 (E_RNA) where: Base-Base interactions energy: -1172.826 where: short stacking energy: -514.049 Base-Backbone interact. energy: -3.213 local terms energy: -622.403027 where: bonds (distance) C4'-P energy: -118.715 bonds (distance) P-C4' energy: -134.528 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -95.761 tors. eta vs tors. theta energy: -128.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1487.381001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.381001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.381001 (E_RNA) where: Base-Base interactions energy: -952.427 where: short stacking energy: -436.128 Base-Backbone interact. energy: 0.222 local terms energy: -535.175694 where: bonds (distance) C4'-P energy: -133.741 bonds (distance) P-C4' energy: -126.991 flat angles C4'-P-C4' energy: -121.776 flat angles P-C4'-P energy: -74.217 tors. eta vs tors. theta energy: -78.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1096.652117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.652117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.652117 (E_RNA) where: Base-Base interactions energy: -630.370 where: short stacking energy: -294.812 Base-Backbone interact. energy: -1.670 local terms energy: -464.612352 where: bonds (distance) C4'-P energy: -116.268 bonds (distance) P-C4' energy: -128.467 flat angles C4'-P-C4' energy: -130.961 flat angles P-C4'-P energy: -70.269 tors. eta vs tors. theta energy: -18.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -785.062464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.062464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.062464 (E_RNA) where: Base-Base interactions energy: -361.900 where: short stacking energy: -200.606 Base-Backbone interact. energy: -0.108 local terms energy: -423.053767 where: bonds (distance) C4'-P energy: -108.232 bonds (distance) P-C4' energy: -123.230 flat angles C4'-P-C4' energy: -121.502 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: 9.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2706.243693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.243693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.243693 (E_RNA) where: Base-Base interactions energy: -1917.919 where: short stacking energy: -788.633 Base-Backbone interact. energy: -2.306 local terms energy: -786.018171 where: bonds (distance) C4'-P energy: -143.890 bonds (distance) P-C4' energy: -151.340 flat angles C4'-P-C4' energy: -168.753 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -213.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2535.107607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.107607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.107607 (E_RNA) where: Base-Base interactions energy: -1806.549 where: short stacking energy: -696.361 Base-Backbone interact. energy: -3.345 local terms energy: -725.213485 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -154.187 flat angles C4'-P-C4' energy: -165.213 flat angles P-C4'-P energy: -86.673 tors. eta vs tors. theta energy: -179.101 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: 236 Temperature: 1.000000 Total energy: -2517.121156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.121156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.121156 (E_RNA) where: Base-Base interactions energy: -1700.412 where: short stacking energy: -755.349 Base-Backbone interact. energy: -0.112 local terms energy: -816.596882 where: bonds (distance) C4'-P energy: -159.033 bonds (distance) P-C4' energy: -152.016 flat angles C4'-P-C4' energy: -178.884 flat angles P-C4'-P energy: -95.884 tors. eta vs tors. theta energy: -230.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2325.876339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.876339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.876339 (E_RNA) where: Base-Base interactions energy: -1584.286 where: short stacking energy: -705.881 Base-Backbone interact. energy: -3.011 local terms energy: -738.579645 where: bonds (distance) C4'-P energy: -134.981 bonds (distance) P-C4' energy: -148.327 flat angles C4'-P-C4' energy: -144.058 flat angles P-C4'-P energy: -104.780 tors. eta vs tors. theta energy: -206.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2264.183691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.183691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.183691 (E_RNA) where: Base-Base interactions energy: -1590.320 where: short stacking energy: -678.013 Base-Backbone interact. energy: -1.573 local terms energy: -672.290644 where: bonds (distance) C4'-P energy: -129.499 bonds (distance) P-C4' energy: -124.404 flat angles C4'-P-C4' energy: -152.554 flat angles P-C4'-P energy: -92.347 tors. eta vs tors. theta energy: -173.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2041.360497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.360497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.360497 (E_RNA) where: Base-Base interactions energy: -1350.750 where: short stacking energy: -619.621 Base-Backbone interact. energy: -0.182 local terms energy: -690.428595 where: bonds (distance) C4'-P energy: -134.219 bonds (distance) P-C4' energy: -142.501 flat angles C4'-P-C4' energy: -154.353 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -171.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1759.573787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.573787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.573787 (E_RNA) where: Base-Base interactions energy: -1146.244 where: short stacking energy: -509.908 Base-Backbone interact. energy: 1.796 local terms energy: -615.126191 where: bonds (distance) C4'-P energy: -126.821 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -78.290 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: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1467.467269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.467269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.467269 (E_RNA) where: Base-Base interactions energy: -907.456 where: short stacking energy: -436.480 Base-Backbone interact. energy: -0.106 local terms energy: -559.905119 where: bonds (distance) C4'-P energy: -123.263 bonds (distance) P-C4' energy: -125.253 flat angles C4'-P-C4' energy: -130.942 flat angles P-C4'-P energy: -75.099 tors. eta vs tors. theta energy: -105.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1109.010425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.010425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.010425 (E_RNA) where: Base-Base interactions energy: -614.252 where: short stacking energy: -285.373 Base-Backbone interact. energy: 0.002 local terms energy: -494.760290 where: bonds (distance) C4'-P energy: -150.993 bonds (distance) P-C4' energy: -134.334 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: -25.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -781.434672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.434672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.434672 (E_RNA) where: Base-Base interactions energy: -364.825 where: short stacking energy: -213.706 Base-Backbone interact. energy: 6.543 local terms energy: -423.152710 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -79.912 tors. eta vs tors. theta energy: 16.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2713.479953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.479953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.479953 (E_RNA) where: Base-Base interactions energy: -1925.684 where: short stacking energy: -752.023 Base-Backbone interact. energy: -3.222 local terms energy: -784.573920 where: bonds (distance) C4'-P energy: -137.597 bonds (distance) P-C4' energy: -151.920 flat angles C4'-P-C4' energy: -178.845 flat angles P-C4'-P energy: -120.452 tors. eta vs tors. theta energy: -195.759 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: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2629.220569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.220569 (E_RNA) where: Base-Base interactions energy: -1767.585 where: short stacking energy: -819.377 Base-Backbone interact. energy: -2.705 local terms energy: -858.930600 where: bonds (distance) C4'-P energy: -141.453 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -172.746 flat angles P-C4'-P energy: -126.429 tors. eta vs tors. theta energy: -260.590 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: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2503.277959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.277959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.277959 (E_RNA) where: Base-Base interactions energy: -1772.173 where: short stacking energy: -694.570 Base-Backbone interact. energy: 1.814 local terms energy: -732.919343 where: bonds (distance) C4'-P energy: -128.530 bonds (distance) P-C4' energy: -143.039 flat angles C4'-P-C4' energy: -165.311 flat angles P-C4'-P energy: -104.036 tors. eta vs tors. theta energy: -192.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2333.496346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.496346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.496346 (E_RNA) where: Base-Base interactions energy: -1555.180 where: short stacking energy: -707.627 Base-Backbone interact. energy: -4.476 local terms energy: -773.839838 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -166.953 flat angles P-C4'-P energy: -109.989 tors. eta vs tors. theta energy: -207.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2258.100644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.100644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.100644 (E_RNA) where: Base-Base interactions energy: -1550.010 where: short stacking energy: -658.338 Base-Backbone interact. energy: -1.391 local terms energy: -706.700234 where: bonds (distance) C4'-P energy: -116.079 bonds (distance) P-C4' energy: -154.102 flat angles C4'-P-C4' energy: -152.668 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -182.585 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: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1891.493586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.493586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.493586 (E_RNA) where: Base-Base interactions energy: -1255.761 where: short stacking energy: -562.896 Base-Backbone interact. energy: -2.424 local terms energy: -633.309167 where: bonds (distance) C4'-P energy: -120.111 bonds (distance) P-C4' energy: -140.393 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -139.042 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: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1728.818856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.818856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.818856 (E_RNA) where: Base-Base interactions energy: -1112.264 where: short stacking energy: -513.629 Base-Backbone interact. energy: 1.020 local terms energy: -617.574611 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -130.776 flat angles C4'-P-C4' energy: -155.991 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -129.194 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: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1503.240447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.240447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.240447 (E_RNA) where: Base-Base interactions energy: -949.570 where: short stacking energy: -419.609 Base-Backbone interact. energy: -2.947 local terms energy: -550.723473 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -126.049 flat angles C4'-P-C4' energy: -132.630 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -97.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1136.916052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.916052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.916052 (E_RNA) where: Base-Base interactions energy: -667.506 where: short stacking energy: -322.925 Base-Backbone interact. energy: 7.098 local terms energy: -476.507688 where: bonds (distance) C4'-P energy: -133.635 bonds (distance) P-C4' energy: -108.925 flat angles C4'-P-C4' energy: -124.745 flat angles P-C4'-P energy: -68.453 tors. eta vs tors. theta energy: -40.749 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -813.553218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.553218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.553218 (E_RNA) where: Base-Base interactions energy: -413.643 where: short stacking energy: -231.346 Base-Backbone interact. energy: 5.273 local terms energy: -405.183475 where: bonds (distance) C4'-P energy: -117.213 bonds (distance) P-C4' energy: -127.126 flat angles C4'-P-C4' energy: -99.660 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2742.241280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.241280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.241280 (E_RNA) where: Base-Base interactions energy: -1913.758 where: short stacking energy: -747.121 Base-Backbone interact. energy: -3.026 local terms energy: -825.457153 where: bonds (distance) C4'-P energy: -146.423 bonds (distance) P-C4' energy: -161.621 flat angles C4'-P-C4' energy: -179.497 flat angles P-C4'-P energy: -131.484 tors. eta vs tors. theta energy: -206.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2604.715224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.715224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.715224 (E_RNA) where: Base-Base interactions energy: -1739.545 where: short stacking energy: -805.621 Base-Backbone interact. energy: -1.903 local terms energy: -863.267523 where: bonds (distance) C4'-P energy: -174.793 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -176.477 flat angles P-C4'-P energy: -111.386 tors. eta vs tors. theta energy: -249.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2456.830119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.830119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.830119 (E_RNA) where: Base-Base interactions energy: -1722.506 where: short stacking energy: -679.574 Base-Backbone interact. energy: -6.404 local terms energy: -727.919905 where: bonds (distance) C4'-P energy: -153.924 bonds (distance) P-C4' energy: -139.332 flat angles C4'-P-C4' energy: -166.186 flat angles P-C4'-P energy: -101.758 tors. eta vs tors. theta energy: -166.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2347.432305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.432305 (E_RNA) where: Base-Base interactions energy: -1614.081 where: short stacking energy: -692.752 Base-Backbone interact. energy: -3.421 local terms energy: -729.930723 where: bonds (distance) C4'-P energy: -138.203 bonds (distance) P-C4' energy: -147.618 flat angles C4'-P-C4' energy: -153.743 flat angles P-C4'-P energy: -94.915 tors. eta vs tors. theta energy: -195.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2266.613574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.613574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.613574 (E_RNA) where: Base-Base interactions energy: -1573.906 where: short stacking energy: -677.738 Base-Backbone interact. energy: -0.157 local terms energy: -692.550850 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -138.204 flat angles C4'-P-C4' energy: -158.069 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -183.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1899.101631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.101631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.101631 (E_RNA) where: Base-Base interactions energy: -1267.729 where: short stacking energy: -561.486 Base-Backbone interact. energy: -2.582 local terms energy: -628.790789 where: bonds (distance) C4'-P energy: -145.938 bonds (distance) P-C4' energy: -127.380 flat angles C4'-P-C4' energy: -130.299 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -147.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1752.142347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.142347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.142347 (E_RNA) where: Base-Base interactions energy: -1171.678 where: short stacking energy: -536.646 Base-Backbone interact. energy: -0.746 local terms energy: -579.718559 where: bonds (distance) C4'-P energy: -100.056 bonds (distance) P-C4' energy: -144.418 flat angles C4'-P-C4' energy: -133.670 flat angles P-C4'-P energy: -85.007 tors. eta vs tors. theta energy: -116.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1520.314647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.314647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.314647 (E_RNA) where: Base-Base interactions energy: -961.423 where: short stacking energy: -436.265 Base-Backbone interact. energy: 1.638 local terms energy: -560.529515 where: bonds (distance) C4'-P energy: -121.918 bonds (distance) P-C4' energy: -133.526 flat angles C4'-P-C4' energy: -128.535 flat angles P-C4'-P energy: -89.895 tors. eta vs tors. theta energy: -86.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1093.038723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.038723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.038723 (E_RNA) where: Base-Base interactions energy: -609.801 where: short stacking energy: -311.256 Base-Backbone interact. energy: -2.569 local terms energy: -480.668541 where: bonds (distance) C4'-P energy: -107.439 bonds (distance) P-C4' energy: -136.427 flat angles C4'-P-C4' energy: -112.271 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -43.246 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: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -830.389904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.389904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.389904 (E_RNA) where: Base-Base interactions energy: -435.092 where: short stacking energy: -268.139 Base-Backbone interact. energy: -0.455 local terms energy: -394.842108 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -112.054 flat angles C4'-P-C4' energy: -114.687 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2727.040015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.040015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.040015 (E_RNA) where: Base-Base interactions energy: -1930.281 where: short stacking energy: -747.880 Base-Backbone interact. energy: -4.057 local terms energy: -792.702110 where: bonds (distance) C4'-P energy: -138.399 bonds (distance) P-C4' energy: -159.444 flat angles C4'-P-C4' energy: -165.053 flat angles P-C4'-P energy: -119.121 tors. eta vs tors. theta energy: -210.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2637.729665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.729665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.729665 (E_RNA) where: Base-Base interactions energy: -1793.684 where: short stacking energy: -840.470 Base-Backbone interact. energy: -2.959 local terms energy: -841.086792 where: bonds (distance) C4'-P energy: -154.385 bonds (distance) P-C4' energy: -129.207 flat angles C4'-P-C4' energy: -181.007 flat angles P-C4'-P energy: -114.813 tors. eta vs tors. theta energy: -261.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2512.453435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.453435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.453435 (E_RNA) where: Base-Base interactions energy: -1745.257 where: short stacking energy: -693.759 Base-Backbone interact. energy: -2.305 local terms energy: -764.891171 where: bonds (distance) C4'-P energy: -146.503 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -166.052 flat angles P-C4'-P energy: -117.275 tors. eta vs tors. theta energy: -190.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2298.237055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.237055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.237055 (E_RNA) where: Base-Base interactions energy: -1578.477 where: short stacking energy: -697.871 Base-Backbone interact. energy: -0.029 local terms energy: -719.730939 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -130.336 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -110.695 tors. eta vs tors. theta energy: -193.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2272.511684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.511684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.511684 (E_RNA) where: Base-Base interactions energy: -1548.319 where: short stacking energy: -652.895 Base-Backbone interact. energy: -3.089 local terms energy: -721.104052 where: bonds (distance) C4'-P energy: -154.829 bonds (distance) P-C4' energy: -125.670 flat angles C4'-P-C4' energy: -159.677 flat angles P-C4'-P energy: -101.451 tors. eta vs tors. theta energy: -179.477 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: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1898.534095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.534095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.534095 (E_RNA) where: Base-Base interactions energy: -1264.712 where: short stacking energy: -574.284 Base-Backbone interact. energy: -0.402 local terms energy: -633.420008 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -124.469 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -95.835 tors. eta vs tors. theta energy: -141.896 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: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1824.020646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.020646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.020646 (E_RNA) where: Base-Base interactions energy: -1191.107 where: short stacking energy: -566.437 Base-Backbone interact. energy: -1.932 local terms energy: -630.982254 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -138.748 flat angles C4'-P-C4' energy: -153.789 flat angles P-C4'-P energy: -77.040 tors. eta vs tors. theta energy: -138.869 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: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1532.553074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.553074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.553074 (E_RNA) where: Base-Base interactions energy: -973.346 where: short stacking energy: -435.859 Base-Backbone interact. energy: -2.307 local terms energy: -556.899851 where: bonds (distance) C4'-P energy: -106.338 bonds (distance) P-C4' energy: -148.750 flat angles C4'-P-C4' energy: -119.340 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -89.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1134.770592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.770592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.770592 (E_RNA) where: Base-Base interactions energy: -643.418 where: short stacking energy: -313.613 Base-Backbone interact. energy: -0.593 local terms energy: -490.760170 where: bonds (distance) C4'-P energy: -108.010 bonds (distance) P-C4' energy: -139.916 flat angles C4'-P-C4' energy: -127.335 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -32.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -732.496343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.496343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.496343 (E_RNA) where: Base-Base interactions energy: -353.971 where: short stacking energy: -211.001 Base-Backbone interact. energy: -1.432 local terms energy: -377.094134 where: bonds (distance) C4'-P energy: -119.896 bonds (distance) P-C4' energy: -118.699 flat angles C4'-P-C4' energy: -115.209 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: 25.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2720.001149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.001149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.001149 (E_RNA) where: Base-Base interactions energy: -1919.824 where: short stacking energy: -759.865 Base-Backbone interact. energy: -6.486 local terms energy: -793.691104 where: bonds (distance) C4'-P energy: -156.628 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -181.563 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -202.332 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: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2621.100878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.100878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.100878 (E_RNA) where: Base-Base interactions energy: -1788.156 where: short stacking energy: -810.940 Base-Backbone interact. energy: -4.707 local terms energy: -828.237966 where: bonds (distance) C4'-P energy: -131.322 bonds (distance) P-C4' energy: -146.521 flat angles C4'-P-C4' energy: -177.621 flat angles P-C4'-P energy: -119.460 tors. eta vs tors. theta energy: -253.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2495.348340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.348340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.348340 (E_RNA) where: Base-Base interactions energy: -1748.815 where: short stacking energy: -706.234 Base-Backbone interact. energy: 0.946 local terms energy: -747.479583 where: bonds (distance) C4'-P energy: -121.607 bonds (distance) P-C4' energy: -156.963 flat angles C4'-P-C4' energy: -154.292 flat angles P-C4'-P energy: -112.635 tors. eta vs tors. theta energy: -201.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2383.921053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.921053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.921053 (E_RNA) where: Base-Base interactions energy: -1634.479 where: short stacking energy: -731.877 Base-Backbone interact. energy: -1.816 local terms energy: -747.626607 where: bonds (distance) C4'-P energy: -137.287 bonds (distance) P-C4' energy: -122.808 flat angles C4'-P-C4' energy: -160.377 flat angles P-C4'-P energy: -116.871 tors. eta vs tors. theta energy: -210.284 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: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2226.064426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.064426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.064426 (E_RNA) where: Base-Base interactions energy: -1576.795 where: short stacking energy: -661.828 Base-Backbone interact. energy: -2.295 local terms energy: -646.973811 where: bonds (distance) C4'-P energy: -115.407 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -142.723 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -168.813 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: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1914.709745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.709745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.709745 (E_RNA) where: Base-Base interactions energy: -1269.295 where: short stacking energy: -559.840 Base-Backbone interact. energy: -3.991 local terms energy: -641.423628 where: bonds (distance) C4'-P energy: -123.172 bonds (distance) P-C4' energy: -130.515 flat angles C4'-P-C4' energy: -153.252 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -140.478 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: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1865.661862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.661862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.661862 (E_RNA) where: Base-Base interactions energy: -1253.324 where: short stacking energy: -556.125 Base-Backbone interact. energy: -3.183 local terms energy: -609.155005 where: bonds (distance) C4'-P energy: -126.684 bonds (distance) P-C4' energy: -135.772 flat angles C4'-P-C4' energy: -126.500 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -130.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1624.477253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.477253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.477253 (E_RNA) where: Base-Base interactions energy: -1043.216 where: short stacking energy: -493.215 Base-Backbone interact. energy: -3.258 local terms energy: -578.003728 where: bonds (distance) C4'-P energy: -108.414 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -129.671 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -114.131 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1147.392681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.392681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.392681 (E_RNA) where: Base-Base interactions energy: -647.666 where: short stacking energy: -323.566 Base-Backbone interact. energy: 5.612 local terms energy: -505.339028 where: bonds (distance) C4'-P energy: -139.190 bonds (distance) P-C4' energy: -125.747 flat angles C4'-P-C4' energy: -126.399 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -47.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -672.076456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.076456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.076456 (E_RNA) where: Base-Base interactions energy: -271.067 where: short stacking energy: -189.151 Base-Backbone interact. energy: 9.594 local terms energy: -410.603602 where: bonds (distance) C4'-P energy: -121.625 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: 12.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2722.671241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.671241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.671241 (E_RNA) where: Base-Base interactions energy: -1930.505 where: short stacking energy: -765.956 Base-Backbone interact. energy: -4.617 local terms energy: -787.548593 where: bonds (distance) C4'-P energy: -160.662 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -166.038 flat angles P-C4'-P energy: -117.483 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: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2587.852320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.852320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.852320 (E_RNA) where: Base-Base interactions energy: -1757.886 where: short stacking energy: -775.865 Base-Backbone interact. energy: -1.210 local terms energy: -828.756520 where: bonds (distance) C4'-P energy: -150.122 bonds (distance) P-C4' energy: -144.360 flat angles C4'-P-C4' energy: -177.318 flat angles P-C4'-P energy: -116.725 tors. eta vs tors. theta energy: -240.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2457.572025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.572025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.572025 (E_RNA) where: Base-Base interactions energy: -1742.101 where: short stacking energy: -718.681 Base-Backbone interact. energy: -3.051 local terms energy: -712.420108 where: bonds (distance) C4'-P energy: -138.081 bonds (distance) P-C4' energy: -120.638 flat angles C4'-P-C4' energy: -160.416 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -193.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2350.283613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.283613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.283613 (E_RNA) where: Base-Base interactions energy: -1594.179 where: short stacking energy: -688.764 Base-Backbone interact. energy: 0.115 local terms energy: -756.220083 where: bonds (distance) C4'-P energy: -130.883 bonds (distance) P-C4' energy: -143.967 flat angles C4'-P-C4' energy: -163.200 flat angles P-C4'-P energy: -116.794 tors. eta vs tors. theta energy: -201.377 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: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2234.279298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.279298 (E_RNA) where: Base-Base interactions energy: -1533.303 where: short stacking energy: -634.061 Base-Backbone interact. energy: 4.625 local terms energy: -705.602001 where: bonds (distance) C4'-P energy: -135.439 bonds (distance) P-C4' energy: -139.237 flat angles C4'-P-C4' energy: -150.909 flat angles P-C4'-P energy: -110.555 tors. eta vs tors. theta energy: -169.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1911.204551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.204551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.204551 (E_RNA) where: Base-Base interactions energy: -1249.797 where: short stacking energy: -558.916 Base-Backbone interact. energy: -1.492 local terms energy: -659.915893 where: bonds (distance) C4'-P energy: -131.451 bonds (distance) P-C4' energy: -139.648 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -94.206 tors. eta vs tors. theta energy: -141.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1842.727036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.727036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.727036 (E_RNA) where: Base-Base interactions energy: -1243.042 where: short stacking energy: -539.974 Base-Backbone interact. energy: -2.158 local terms energy: -597.526987 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -109.104 flat angles C4'-P-C4' energy: -139.905 flat angles P-C4'-P energy: -88.916 tors. eta vs tors. theta energy: -141.009 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: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1518.810865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.810865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.810865 (E_RNA) where: Base-Base interactions energy: -978.767 where: short stacking energy: -435.649 Base-Backbone interact. energy: 0.541 local terms energy: -540.584994 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -125.578 flat angles C4'-P-C4' energy: -132.200 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -74.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1137.716748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.716748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.716748 (E_RNA) where: Base-Base interactions energy: -670.160 where: short stacking energy: -342.669 Base-Backbone interact. energy: 0.266 local terms energy: -467.823433 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -136.078 flat angles C4'-P-C4' energy: -115.269 flat angles P-C4'-P energy: -84.832 tors. eta vs tors. theta energy: -31.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -701.849980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.849980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.849980 (E_RNA) where: Base-Base interactions energy: -283.124 where: short stacking energy: -204.802 Base-Backbone interact. energy: 0.362 local terms energy: -419.087724 where: bonds (distance) C4'-P energy: -130.455 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2684.630305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.630305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.630305 (E_RNA) where: Base-Base interactions energy: -1875.456 where: short stacking energy: -753.100 Base-Backbone interact. energy: -3.173 local terms energy: -806.001220 where: bonds (distance) C4'-P energy: -163.395 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -165.892 flat angles P-C4'-P energy: -122.208 tors. eta vs tors. theta energy: -197.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2597.363083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.363083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.363083 (E_RNA) where: Base-Base interactions energy: -1755.053 where: short stacking energy: -780.680 Base-Backbone interact. energy: -0.180 local terms energy: -842.130460 where: bonds (distance) C4'-P energy: -146.223 bonds (distance) P-C4' energy: -154.523 flat angles C4'-P-C4' energy: -187.027 flat angles P-C4'-P energy: -117.767 tors. eta vs tors. theta energy: -236.590 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: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2478.497541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.497541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.497541 (E_RNA) where: Base-Base interactions energy: -1710.994 where: short stacking energy: -729.739 Base-Backbone interact. energy: 0.190 local terms energy: -767.693677 where: bonds (distance) C4'-P energy: -139.747 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -175.747 flat angles P-C4'-P energy: -102.276 tors. eta vs tors. theta energy: -202.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2369.658045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.658045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.658045 (E_RNA) where: Base-Base interactions energy: -1612.800 where: short stacking energy: -716.810 Base-Backbone interact. energy: -3.137 local terms energy: -753.720981 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -159.127 flat angles P-C4'-P energy: -111.128 tors. eta vs tors. theta energy: -204.793 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: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2152.038726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.038726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.038726 (E_RNA) where: Base-Base interactions energy: -1506.528 where: short stacking energy: -623.421 Base-Backbone interact. energy: -0.688 local terms energy: -644.822077 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -143.541 flat angles C4'-P-C4' energy: -141.950 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -157.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1928.913517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.913517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.913517 (E_RNA) where: Base-Base interactions energy: -1263.223 where: short stacking energy: -565.905 Base-Backbone interact. energy: 3.532 local terms energy: -669.222436 where: bonds (distance) C4'-P energy: -123.150 bonds (distance) P-C4' energy: -151.175 flat angles C4'-P-C4' energy: -158.433 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -134.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1868.375034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.375034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.375034 (E_RNA) where: Base-Base interactions energy: -1263.379 where: short stacking energy: -569.744 Base-Backbone interact. energy: -3.782 local terms energy: -601.213665 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -105.024 flat angles C4'-P-C4' energy: -140.116 flat angles P-C4'-P energy: -84.856 tors. eta vs tors. theta energy: -144.009 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: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1542.544381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.544381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.544381 (E_RNA) where: Base-Base interactions energy: -995.619 where: short stacking energy: -458.997 Base-Backbone interact. energy: -3.563 local terms energy: -543.362350 where: bonds (distance) C4'-P energy: -127.851 bonds (distance) P-C4' energy: -121.991 flat angles C4'-P-C4' energy: -113.535 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -88.568 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1099.206380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.206380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.206380 (E_RNA) where: Base-Base interactions energy: -665.240 where: short stacking energy: -345.536 Base-Backbone interact. energy: 3.781 local terms energy: -437.747624 where: bonds (distance) C4'-P energy: -112.787 bonds (distance) P-C4' energy: -111.579 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -30.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -684.725014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.725014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.725014 (E_RNA) where: Base-Base interactions energy: -317.906 where: short stacking energy: -208.992 Base-Backbone interact. energy: 1.812 local terms energy: -368.630945 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -117.661 flat angles C4'-P-C4' energy: -99.002 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: 29.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2695.776894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.776894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.776894 (E_RNA) where: Base-Base interactions energy: -1882.297 where: short stacking energy: -728.311 Base-Backbone interact. energy: 0.169 local terms energy: -813.649048 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -161.972 flat angles C4'-P-C4' energy: -182.031 flat angles P-C4'-P energy: -121.272 tors. eta vs tors. theta energy: -196.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2615.385186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.385186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.385186 (E_RNA) where: Base-Base interactions energy: -1771.269 where: short stacking energy: -791.323 Base-Backbone interact. energy: -1.336 local terms energy: -842.780010 where: bonds (distance) C4'-P energy: -143.753 bonds (distance) P-C4' energy: -154.773 flat angles C4'-P-C4' energy: -170.579 flat angles P-C4'-P energy: -128.757 tors. eta vs tors. theta energy: -244.917 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: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2475.611104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.611104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.611104 (E_RNA) where: Base-Base interactions energy: -1734.738 where: short stacking energy: -689.525 Base-Backbone interact. energy: 1.372 local terms energy: -742.245028 where: bonds (distance) C4'-P energy: -138.440 bonds (distance) P-C4' energy: -166.735 flat angles C4'-P-C4' energy: -163.911 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -184.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2386.335346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.335346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.335346 (E_RNA) where: Base-Base interactions energy: -1657.948 where: short stacking energy: -693.942 Base-Backbone interact. energy: -4.579 local terms energy: -723.808629 where: bonds (distance) C4'-P energy: -144.819 bonds (distance) P-C4' energy: -142.032 flat angles C4'-P-C4' energy: -154.811 flat angles P-C4'-P energy: -79.302 tors. eta vs tors. theta energy: -202.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2240.306169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.306169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.306169 (E_RNA) where: Base-Base interactions energy: -1540.038 where: short stacking energy: -681.282 Base-Backbone interact. energy: 0.213 local terms energy: -700.480582 where: bonds (distance) C4'-P energy: -140.370 bonds (distance) P-C4' energy: -121.833 flat angles C4'-P-C4' energy: -154.596 flat angles P-C4'-P energy: -103.315 tors. eta vs tors. theta energy: -180.366 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: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1894.340883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.340883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.340883 (E_RNA) where: Base-Base interactions energy: -1254.702 where: short stacking energy: -569.942 Base-Backbone interact. energy: -1.684 local terms energy: -637.955221 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -144.554 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -140.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1841.532211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.532211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.532211 (E_RNA) where: Base-Base interactions energy: -1188.592 where: short stacking energy: -539.494 Base-Backbone interact. energy: -0.494 local terms energy: -652.446536 where: bonds (distance) C4'-P energy: -139.796 bonds (distance) P-C4' energy: -115.745 flat angles C4'-P-C4' energy: -145.683 flat angles P-C4'-P energy: -102.929 tors. eta vs tors. theta energy: -148.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1538.013042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.013042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.013042 (E_RNA) where: Base-Base interactions energy: -987.451 where: short stacking energy: -442.602 Base-Backbone interact. energy: -1.377 local terms energy: -549.184748 where: bonds (distance) C4'-P energy: -124.504 bonds (distance) P-C4' energy: -126.707 flat angles C4'-P-C4' energy: -116.871 flat angles P-C4'-P energy: -86.636 tors. eta vs tors. theta energy: -94.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -998.101311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.101311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.101311 (E_RNA) where: Base-Base interactions energy: -567.317 where: short stacking energy: -300.192 Base-Backbone interact. energy: -1.484 local terms energy: -429.301063 where: bonds (distance) C4'-P energy: -100.290 bonds (distance) P-C4' energy: -123.219 flat angles C4'-P-C4' energy: -120.953 flat angles P-C4'-P energy: -65.026 tors. eta vs tors. theta energy: -19.814 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: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -660.114831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.114831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.114831 (E_RNA) where: Base-Base interactions energy: -266.674 where: short stacking energy: -165.825 Base-Backbone interact. energy: -2.817 local terms energy: -390.623653 where: bonds (distance) C4'-P energy: -125.923 bonds (distance) P-C4' energy: -99.975 flat angles C4'-P-C4' energy: -108.973 flat angles P-C4'-P energy: -83.485 tors. eta vs tors. theta energy: 27.732 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: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2695.225804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.225804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.225804 (E_RNA) where: Base-Base interactions energy: -1906.195 where: short stacking energy: -752.859 Base-Backbone interact. energy: -4.093 local terms energy: -784.938042 where: bonds (distance) C4'-P energy: -139.967 bonds (distance) P-C4' energy: -147.508 flat angles C4'-P-C4' energy: -170.447 flat angles P-C4'-P energy: -115.853 tors. eta vs tors. theta energy: -211.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2610.140957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.140957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.140957 (E_RNA) where: Base-Base interactions energy: -1765.564 where: short stacking energy: -808.602 Base-Backbone interact. energy: -3.113 local terms energy: -841.464488 where: bonds (distance) C4'-P energy: -167.415 bonds (distance) P-C4' energy: -149.370 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -253.757 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2463.745930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.745930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.745930 (E_RNA) where: Base-Base interactions energy: -1707.603 where: short stacking energy: -690.509 Base-Backbone interact. energy: -2.257 local terms energy: -753.885759 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -147.195 flat angles C4'-P-C4' energy: -160.198 flat angles P-C4'-P energy: -106.472 tors. eta vs tors. theta energy: -195.862 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: 244 Temperature: 1.050000 Total energy: -2409.363473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.363473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.363473 (E_RNA) where: Base-Base interactions energy: -1654.280 where: short stacking energy: -701.338 Base-Backbone interact. energy: -3.740 local terms energy: -751.343545 where: bonds (distance) C4'-P energy: -124.576 bonds (distance) P-C4' energy: -145.660 flat angles C4'-P-C4' energy: -164.645 flat angles P-C4'-P energy: -109.983 tors. eta vs tors. theta energy: -206.479 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: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2234.936534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.936534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.936534 (E_RNA) where: Base-Base interactions energy: -1544.591 where: short stacking energy: -633.131 Base-Backbone interact. energy: -2.587 local terms energy: -687.758337 where: bonds (distance) C4'-P energy: -134.233 bonds (distance) P-C4' energy: -131.214 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: -174.337 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: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1912.878686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.878686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.878686 (E_RNA) where: Base-Base interactions energy: -1260.387 where: short stacking energy: -580.508 Base-Backbone interact. energy: -2.563 local terms energy: -649.928781 where: bonds (distance) C4'-P energy: -138.661 bonds (distance) P-C4' energy: -120.565 flat angles C4'-P-C4' energy: -153.224 flat angles P-C4'-P energy: -92.920 tors. eta vs tors. theta energy: -144.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1890.326335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.326335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.326335 (E_RNA) where: Base-Base interactions energy: -1214.970 where: short stacking energy: -517.658 Base-Backbone interact. energy: -0.825 local terms energy: -674.531488 where: bonds (distance) C4'-P energy: -151.090 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -131.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1524.091907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.091907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.091907 (E_RNA) where: Base-Base interactions energy: -967.449 where: short stacking energy: -479.379 Base-Backbone interact. energy: -3.943 local terms energy: -552.700168 where: bonds (distance) C4'-P energy: -122.984 bonds (distance) P-C4' energy: -110.837 flat angles C4'-P-C4' energy: -144.465 flat angles P-C4'-P energy: -77.270 tors. eta vs tors. theta energy: -97.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1041.308575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.308575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.308575 (E_RNA) where: Base-Base interactions energy: -562.008 where: short stacking energy: -278.310 Base-Backbone interact. energy: -4.149 local terms energy: -475.151066 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -138.947 flat angles C4'-P-C4' energy: -128.990 flat angles P-C4'-P energy: -82.440 tors. eta vs tors. theta energy: -13.794 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: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -647.717506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.717506 (E_RNA) where: Base-Base interactions energy: -284.007 where: short stacking energy: -207.139 Base-Backbone interact. energy: -1.665 local terms energy: -362.045252 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -99.004 flat angles C4'-P-C4' energy: -111.604 flat angles P-C4'-P energy: -51.068 tors. eta vs tors. theta energy: 11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2654.222147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.222147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.222147 (E_RNA) where: Base-Base interactions energy: -1862.004 where: short stacking energy: -765.327 Base-Backbone interact. energy: -1.471 local terms energy: -790.746793 where: bonds (distance) C4'-P energy: -167.914 bonds (distance) P-C4' energy: -146.106 flat angles C4'-P-C4' energy: -166.327 flat angles P-C4'-P energy: -110.900 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: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2629.245920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.245920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.245920 (E_RNA) where: Base-Base interactions energy: -1794.048 where: short stacking energy: -812.777 Base-Backbone interact. energy: -0.733 local terms energy: -834.465124 where: bonds (distance) C4'-P energy: -142.249 bonds (distance) P-C4' energy: -154.282 flat angles C4'-P-C4' energy: -164.274 flat angles P-C4'-P energy: -115.610 tors. eta vs tors. theta energy: -258.049 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: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2457.302153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.302153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.302153 (E_RNA) where: Base-Base interactions energy: -1732.839 where: short stacking energy: -713.670 Base-Backbone interact. energy: -0.598 local terms energy: -723.865820 where: bonds (distance) C4'-P energy: -146.041 bonds (distance) P-C4' energy: -116.998 flat angles C4'-P-C4' energy: -153.546 flat angles P-C4'-P energy: -121.826 tors. eta vs tors. theta energy: -185.455 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: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2422.510701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.510701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.510701 (E_RNA) where: Base-Base interactions energy: -1625.452 where: short stacking energy: -749.263 Base-Backbone interact. energy: -3.624 local terms energy: -793.434404 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -149.060 flat angles C4'-P-C4' energy: -176.867 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -216.102 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: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2115.917825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.917825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.917825 (E_RNA) where: Base-Base interactions energy: -1462.581 where: short stacking energy: -623.336 Base-Backbone interact. energy: -3.735 local terms energy: -649.601489 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -125.452 flat angles C4'-P-C4' energy: -144.909 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -162.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1943.470659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.470659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.470659 (E_RNA) where: Base-Base interactions energy: -1270.720 where: short stacking energy: -542.698 Base-Backbone interact. energy: -1.877 local terms energy: -670.873238 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -154.140 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -82.611 tors. eta vs tors. theta energy: -146.866 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1912.279674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.279674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.279674 (E_RNA) where: Base-Base interactions energy: -1278.318 where: short stacking energy: -572.286 Base-Backbone interact. energy: -3.264 local terms energy: -630.698171 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -120.263 flat angles C4'-P-C4' energy: -144.173 flat angles P-C4'-P energy: -94.472 tors. eta vs tors. theta energy: -147.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1545.255360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.255360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.255360 (E_RNA) where: Base-Base interactions energy: -994.505 where: short stacking energy: -470.115 Base-Backbone interact. energy: -3.653 local terms energy: -547.097102 where: bonds (distance) C4'-P energy: -115.064 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -141.271 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: -89.376 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: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1004.670006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.670006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.670006 (E_RNA) where: Base-Base interactions energy: -573.433 where: short stacking energy: -283.325 Base-Backbone interact. energy: 1.523 local terms energy: -432.760563 where: bonds (distance) C4'-P energy: -119.229 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -109.657 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: -14.889 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: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -625.930022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.930022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.930022 (E_RNA) where: Base-Base interactions energy: -246.506 where: short stacking energy: -172.621 Base-Backbone interact. energy: 2.295 local terms energy: -381.719538 where: bonds (distance) C4'-P energy: -139.055 bonds (distance) P-C4' energy: -126.397 flat angles C4'-P-C4' energy: -94.030 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: 29.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2669.192628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.192628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.192628 (E_RNA) where: Base-Base interactions energy: -1840.537 where: short stacking energy: -769.949 Base-Backbone interact. energy: -1.392 local terms energy: -827.263302 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -169.961 flat angles C4'-P-C4' energy: -186.583 flat angles P-C4'-P energy: -117.187 tors. eta vs tors. theta energy: -201.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2611.399067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.399067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.399067 (E_RNA) where: Base-Base interactions energy: -1787.380 where: short stacking energy: -812.122 Base-Backbone interact. energy: -1.496 local terms energy: -822.523400 where: bonds (distance) C4'-P energy: -157.859 bonds (distance) P-C4' energy: -138.662 flat angles C4'-P-C4' energy: -168.163 flat angles P-C4'-P energy: -113.950 tors. eta vs tors. theta energy: -243.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2417.329476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.329476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.329476 (E_RNA) where: Base-Base interactions energy: -1643.307 where: short stacking energy: -691.419 Base-Backbone interact. energy: -0.879 local terms energy: -773.142926 where: bonds (distance) C4'-P energy: -160.713 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -169.813 flat angles P-C4'-P energy: -105.202 tors. eta vs tors. theta energy: -189.947 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: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2414.489073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.489073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.489073 (E_RNA) where: Base-Base interactions energy: -1608.036 where: short stacking energy: -713.726 Base-Backbone interact. energy: -1.068 local terms energy: -805.385324 where: bonds (distance) C4'-P energy: -160.638 bonds (distance) P-C4' energy: -148.779 flat angles C4'-P-C4' energy: -175.119 flat angles P-C4'-P energy: -112.943 tors. eta vs tors. theta energy: -207.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2197.559502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.559502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.559502 (E_RNA) where: Base-Base interactions energy: -1521.099 where: short stacking energy: -660.507 Base-Backbone interact. energy: -1.863 local terms energy: -674.597506 where: bonds (distance) C4'-P energy: -138.883 bonds (distance) P-C4' energy: -119.374 flat angles C4'-P-C4' energy: -161.731 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -174.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1986.271540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.271540 (E_RNA) where: Base-Base interactions energy: -1297.841 where: short stacking energy: -589.522 Base-Backbone interact. energy: -4.269 local terms energy: -684.161451 where: bonds (distance) C4'-P energy: -131.293 bonds (distance) P-C4' energy: -125.637 flat angles C4'-P-C4' energy: -146.006 flat angles P-C4'-P energy: -99.768 tors. eta vs tors. theta energy: -181.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1862.643974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.643974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.643974 (E_RNA) where: Base-Base interactions energy: -1244.300 where: short stacking energy: -552.635 Base-Backbone interact. energy: 1.245 local terms energy: -619.588436 where: bonds (distance) C4'-P energy: -135.400 bonds (distance) P-C4' energy: -140.011 flat angles C4'-P-C4' energy: -126.074 flat angles P-C4'-P energy: -81.618 tors. eta vs tors. theta energy: -136.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1490.353081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.353081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.353081 (E_RNA) where: Base-Base interactions energy: -928.216 where: short stacking energy: -442.413 Base-Backbone interact. energy: -6.095 local terms energy: -556.042287 where: bonds (distance) C4'-P energy: -134.734 bonds (distance) P-C4' energy: -117.537 flat angles C4'-P-C4' energy: -133.874 flat angles P-C4'-P energy: -71.151 tors. eta vs tors. theta energy: -98.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1034.467858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.467858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.467858 (E_RNA) where: Base-Base interactions energy: -546.326 where: short stacking energy: -275.974 Base-Backbone interact. energy: -2.711 local terms energy: -485.430350 where: bonds (distance) C4'-P energy: -124.955 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -122.321 flat angles P-C4'-P energy: -86.494 tors. eta vs tors. theta energy: -25.248 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -576.628331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.628331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.628331 (E_RNA) where: Base-Base interactions energy: -193.309 where: short stacking energy: -178.604 Base-Backbone interact. energy: -2.227 local terms energy: -381.092043 where: bonds (distance) C4'-P energy: -115.536 bonds (distance) P-C4' energy: -113.362 flat angles C4'-P-C4' energy: -110.413 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: 24.063 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: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2662.077621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.077621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.077621 (E_RNA) where: Base-Base interactions energy: -1838.997 where: short stacking energy: -744.190 Base-Backbone interact. energy: -2.857 local terms energy: -820.223744 where: bonds (distance) C4'-P energy: -154.090 bonds (distance) P-C4' energy: -177.413 flat angles C4'-P-C4' energy: -172.895 flat angles P-C4'-P energy: -115.170 tors. eta vs tors. theta energy: -200.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2615.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.861235 (E_RNA) where: Base-Base interactions energy: -1814.585 where: short stacking energy: -840.484 Base-Backbone interact. energy: -3.052 local terms energy: -798.224899 where: bonds (distance) C4'-P energy: -127.665 bonds (distance) P-C4' energy: -139.026 flat angles C4'-P-C4' energy: -161.779 flat angles P-C4'-P energy: -118.058 tors. eta vs tors. theta energy: -251.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2440.288356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.288356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.288356 (E_RNA) where: Base-Base interactions energy: -1690.549 where: short stacking energy: -696.746 Base-Backbone interact. energy: 0.729 local terms energy: -750.468119 where: bonds (distance) C4'-P energy: -148.436 bonds (distance) P-C4' energy: -144.097 flat angles C4'-P-C4' energy: -175.865 flat angles P-C4'-P energy: -91.388 tors. eta vs tors. theta energy: -190.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2332.014407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.014407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.014407 (E_RNA) where: Base-Base interactions energy: -1597.201 where: short stacking energy: -697.699 Base-Backbone interact. energy: 0.224 local terms energy: -735.037394 where: bonds (distance) C4'-P energy: -151.873 bonds (distance) P-C4' energy: -137.187 flat angles C4'-P-C4' energy: -154.932 flat angles P-C4'-P energy: -91.781 tors. eta vs tors. theta energy: -199.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2147.314862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.314862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.314862 (E_RNA) where: Base-Base interactions energy: -1472.099 where: short stacking energy: -613.575 Base-Backbone interact. energy: -2.790 local terms energy: -672.426098 where: bonds (distance) C4'-P energy: -136.181 bonds (distance) P-C4' energy: -117.071 flat angles C4'-P-C4' energy: -155.608 flat angles P-C4'-P energy: -107.641 tors. eta vs tors. theta energy: -155.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1973.486471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.486471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.486471 (E_RNA) where: Base-Base interactions energy: -1312.340 where: short stacking energy: -563.878 Base-Backbone interact. energy: 1.679 local terms energy: -662.824920 where: bonds (distance) C4'-P energy: -125.558 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -163.708 flat angles P-C4'-P energy: -85.703 tors. eta vs tors. theta energy: -149.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1864.885629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.885629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.885629 (E_RNA) where: Base-Base interactions energy: -1214.635 where: short stacking energy: -571.609 Base-Backbone interact. energy: 2.358 local terms energy: -652.609042 where: bonds (distance) C4'-P energy: -120.420 bonds (distance) P-C4' energy: -139.051 flat angles C4'-P-C4' energy: -143.985 flat angles P-C4'-P energy: -86.194 tors. eta vs tors. theta energy: -162.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1451.964896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.964896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.964896 (E_RNA) where: Base-Base interactions energy: -941.822 where: short stacking energy: -431.856 Base-Backbone interact. energy: 0.207 local terms energy: -510.349457 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -125.315 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -78.972 tors. eta vs tors. theta energy: -59.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1051.671878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.671878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.671878 (E_RNA) where: Base-Base interactions energy: -586.079 where: short stacking energy: -300.345 Base-Backbone interact. energy: 0.565 local terms energy: -466.157964 where: bonds (distance) C4'-P energy: -129.261 bonds (distance) P-C4' energy: -127.922 flat angles C4'-P-C4' energy: -106.104 flat angles P-C4'-P energy: -63.445 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: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -662.444188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.444188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.444188 (E_RNA) where: Base-Base interactions energy: -255.404 where: short stacking energy: -191.320 Base-Backbone interact. energy: -3.032 local terms energy: -404.008192 where: bonds (distance) C4'-P energy: -123.888 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -102.785 flat angles P-C4'-P energy: -72.855 tors. eta vs tors. theta energy: 7.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2641.514860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.514860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.514860 (E_RNA) where: Base-Base interactions energy: -1847.788 where: short stacking energy: -756.447 Base-Backbone interact. energy: -1.624 local terms energy: -792.102370 where: bonds (distance) C4'-P energy: -144.790 bonds (distance) P-C4' energy: -155.143 flat angles C4'-P-C4' energy: -175.055 flat angles P-C4'-P energy: -115.902 tors. eta vs tors. theta energy: -201.213 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: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2608.334958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.334958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.334958 (E_RNA) where: Base-Base interactions energy: -1774.097 where: short stacking energy: -836.446 Base-Backbone interact. energy: -2.943 local terms energy: -831.295317 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -151.566 flat angles C4'-P-C4' energy: -181.575 flat angles P-C4'-P energy: -107.860 tors. eta vs tors. theta energy: -245.421 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: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2424.463157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.463157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.463157 (E_RNA) where: Base-Base interactions energy: -1697.193 where: short stacking energy: -673.509 Base-Backbone interact. energy: 0.809 local terms energy: -728.079615 where: bonds (distance) C4'-P energy: -134.218 bonds (distance) P-C4' energy: -138.060 flat angles C4'-P-C4' energy: -168.118 flat angles P-C4'-P energy: -103.852 tors. eta vs tors. theta energy: -183.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2362.984425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.984425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.984425 (E_RNA) where: Base-Base interactions energy: -1626.440 where: short stacking energy: -706.398 Base-Backbone interact. energy: -2.699 local terms energy: -733.845457 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -142.878 flat angles C4'-P-C4' energy: -161.208 flat angles P-C4'-P energy: -101.870 tors. eta vs tors. theta energy: -207.552 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: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2129.526042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.526042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.526042 (E_RNA) where: Base-Base interactions energy: -1454.247 where: short stacking energy: -616.935 Base-Backbone interact. energy: 2.315 local terms energy: -677.594610 where: bonds (distance) C4'-P energy: -145.588 bonds (distance) P-C4' energy: -125.224 flat angles C4'-P-C4' energy: -161.586 flat angles P-C4'-P energy: -93.758 tors. eta vs tors. theta energy: -151.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1884.420085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.420085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.420085 (E_RNA) where: Base-Base interactions energy: -1212.135 where: short stacking energy: -544.104 Base-Backbone interact. energy: 1.432 local terms energy: -673.716576 where: bonds (distance) C4'-P energy: -146.881 bonds (distance) P-C4' energy: -139.674 flat angles C4'-P-C4' energy: -145.285 flat angles P-C4'-P energy: -100.873 tors. eta vs tors. theta energy: -141.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1903.052016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.052016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.052016 (E_RNA) where: Base-Base interactions energy: -1267.982 where: short stacking energy: -555.210 Base-Backbone interact. energy: -4.618 local terms energy: -630.452264 where: bonds (distance) C4'-P energy: -112.770 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -149.016 flat angles P-C4'-P energy: -87.127 tors. eta vs tors. theta energy: -152.373 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: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1534.494998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.494998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.494998 (E_RNA) where: Base-Base interactions energy: -947.302 where: short stacking energy: -437.126 Base-Backbone interact. energy: -3.677 local terms energy: -583.515875 where: bonds (distance) C4'-P energy: -117.079 bonds (distance) P-C4' energy: -147.366 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -88.772 tors. eta vs tors. theta energy: -82.488 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: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1007.408672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.408672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.408672 (E_RNA) where: Base-Base interactions energy: -537.968 where: short stacking energy: -315.530 Base-Backbone interact. energy: -2.143 local terms energy: -467.297310 where: bonds (distance) C4'-P energy: -92.107 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -129.422 flat angles P-C4'-P energy: -58.383 tors. eta vs tors. theta energy: -46.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -655.822137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.822137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.822137 (E_RNA) where: Base-Base interactions energy: -267.309 where: short stacking energy: -162.278 Base-Backbone interact. energy: -5.666 local terms energy: -382.846576 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -112.099 flat angles C4'-P-C4' energy: -83.210 flat angles P-C4'-P energy: -64.794 tors. eta vs tors. theta energy: 8.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2679.969722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.969722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.969722 (E_RNA) where: Base-Base interactions energy: -1873.107 where: short stacking energy: -755.722 Base-Backbone interact. energy: -1.790 local terms energy: -805.072437 where: bonds (distance) C4'-P energy: -152.688 bonds (distance) P-C4' energy: -141.672 flat angles C4'-P-C4' energy: -181.484 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -213.143 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: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2591.334305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.334305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.334305 (E_RNA) where: Base-Base interactions energy: -1772.363 where: short stacking energy: -824.329 Base-Backbone interact. energy: 2.646 local terms energy: -821.617432 where: bonds (distance) C4'-P energy: -149.147 bonds (distance) P-C4' energy: -132.679 flat angles C4'-P-C4' energy: -184.695 flat angles P-C4'-P energy: -119.764 tors. eta vs tors. theta energy: -235.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2420.195982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.195982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.195982 (E_RNA) where: Base-Base interactions energy: -1663.187 where: short stacking energy: -698.769 Base-Backbone interact. energy: -0.505 local terms energy: -756.503812 where: bonds (distance) C4'-P energy: -147.275 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -159.837 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -200.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2344.882774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.882774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.882774 (E_RNA) where: Base-Base interactions energy: -1579.901 where: short stacking energy: -686.571 Base-Backbone interact. energy: 1.234 local terms energy: -766.215576 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -144.658 flat angles C4'-P-C4' energy: -161.515 flat angles P-C4'-P energy: -104.203 tors. eta vs tors. theta energy: -212.556 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: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2222.468575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.468575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.468575 (E_RNA) where: Base-Base interactions energy: -1533.471 where: short stacking energy: -631.642 Base-Backbone interact. energy: -1.439 local terms energy: -687.558880 where: bonds (distance) C4'-P energy: -135.637 bonds (distance) P-C4' energy: -135.683 flat angles C4'-P-C4' energy: -145.917 flat angles P-C4'-P energy: -98.491 tors. eta vs tors. theta energy: -171.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1915.677601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.677601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.677601 (E_RNA) where: Base-Base interactions energy: -1267.629 where: short stacking energy: -547.650 Base-Backbone interact. energy: -2.095 local terms energy: -645.954177 where: bonds (distance) C4'-P energy: -133.308 bonds (distance) P-C4' energy: -133.488 flat angles C4'-P-C4' energy: -149.515 flat angles P-C4'-P energy: -87.856 tors. eta vs tors. theta energy: -141.787 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: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1886.738584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.738584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.738584 (E_RNA) where: Base-Base interactions energy: -1246.185 where: short stacking energy: -549.327 Base-Backbone interact. energy: -2.810 local terms energy: -637.743842 where: bonds (distance) C4'-P energy: -124.238 bonds (distance) P-C4' energy: -147.360 flat angles C4'-P-C4' energy: -139.958 flat angles P-C4'-P energy: -88.575 tors. eta vs tors. theta energy: -137.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1563.425655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.425655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.425655 (E_RNA) where: Base-Base interactions energy: -990.229 where: short stacking energy: -432.367 Base-Backbone interact. energy: 0.219 local terms energy: -573.416436 where: bonds (distance) C4'-P energy: -135.960 bonds (distance) P-C4' energy: -121.328 flat angles C4'-P-C4' energy: -137.224 flat angles P-C4'-P energy: -100.990 tors. eta vs tors. theta energy: -77.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1012.549410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.549410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.549410 (E_RNA) where: Base-Base interactions energy: -551.451 where: short stacking energy: -275.292 Base-Backbone interact. energy: 5.568 local terms energy: -466.666110 where: bonds (distance) C4'-P energy: -116.020 bonds (distance) P-C4' energy: -138.424 flat angles C4'-P-C4' energy: -119.794 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -24.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -632.002641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.002641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.002641 (E_RNA) where: Base-Base interactions energy: -225.005 where: short stacking energy: -173.041 Base-Backbone interact. energy: -0.592 local terms energy: -406.405721 where: bonds (distance) C4'-P energy: -122.985 bonds (distance) P-C4' energy: -136.006 flat angles C4'-P-C4' energy: -111.747 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: 32.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2706.061829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.061829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.061829 (E_RNA) where: Base-Base interactions energy: -1883.519 where: short stacking energy: -765.768 Base-Backbone interact. energy: -3.647 local terms energy: -818.895616 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -148.851 flat angles C4'-P-C4' energy: -174.368 flat angles P-C4'-P energy: -126.304 tors. eta vs tors. theta energy: -210.728 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: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2559.103426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.103426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.103426 (E_RNA) where: Base-Base interactions energy: -1728.044 where: short stacking energy: -788.594 Base-Backbone interact. energy: -4.439 local terms energy: -826.621089 where: bonds (distance) C4'-P energy: -158.209 bonds (distance) P-C4' energy: -135.589 flat angles C4'-P-C4' energy: -168.749 flat angles P-C4'-P energy: -130.904 tors. eta vs tors. theta energy: -233.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2400.314738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.314738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.314738 (E_RNA) where: Base-Base interactions energy: -1642.925 where: short stacking energy: -710.545 Base-Backbone interact. energy: -4.102 local terms energy: -753.287953 where: bonds (distance) C4'-P energy: -139.659 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -161.384 flat angles P-C4'-P energy: -96.989 tors. eta vs tors. theta energy: -206.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2317.330647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.330647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.330647 (E_RNA) where: Base-Base interactions energy: -1630.904 where: short stacking energy: -667.614 Base-Backbone interact. energy: 5.564 local terms energy: -691.990075 where: bonds (distance) C4'-P energy: -118.797 bonds (distance) P-C4' energy: -145.944 flat angles C4'-P-C4' energy: -142.804 flat angles P-C4'-P energy: -96.461 tors. eta vs tors. theta energy: -187.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2206.107389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.107389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.107389 (E_RNA) where: Base-Base interactions energy: -1528.792 where: short stacking energy: -652.312 Base-Backbone interact. energy: 1.331 local terms energy: -678.645816 where: bonds (distance) C4'-P energy: -129.838 bonds (distance) P-C4' energy: -123.627 flat angles C4'-P-C4' energy: -152.274 flat angles P-C4'-P energy: -96.943 tors. eta vs tors. theta energy: -175.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1943.784132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.784132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.784132 (E_RNA) where: Base-Base interactions energy: -1272.307 where: short stacking energy: -582.422 Base-Backbone interact. energy: -3.789 local terms energy: -667.688648 where: bonds (distance) C4'-P energy: -140.504 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -147.499 flat angles P-C4'-P energy: -96.314 tors. eta vs tors. theta energy: -149.703 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: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1878.684050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.684050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.684050 (E_RNA) where: Base-Base interactions energy: -1271.432 where: short stacking energy: -556.918 Base-Backbone interact. energy: -0.624 local terms energy: -606.628426 where: bonds (distance) C4'-P energy: -108.492 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -147.789 flat angles P-C4'-P energy: -84.905 tors. eta vs tors. theta energy: -149.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1629.728057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.728057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.728057 (E_RNA) where: Base-Base interactions energy: -1042.177 where: short stacking energy: -453.272 Base-Backbone interact. energy: -1.802 local terms energy: -585.749919 where: bonds (distance) C4'-P energy: -121.584 bonds (distance) P-C4' energy: -128.784 flat angles C4'-P-C4' energy: -138.769 flat angles P-C4'-P energy: -88.531 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: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -972.177290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.177290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.177290 (E_RNA) where: Base-Base interactions energy: -527.755 where: short stacking energy: -296.577 Base-Backbone interact. energy: 2.232 local terms energy: -446.654288 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -117.849 flat angles C4'-P-C4' energy: -124.197 flat angles P-C4'-P energy: -68.769 tors. eta vs tors. theta energy: -19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -653.010285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.010285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.010285 (E_RNA) where: Base-Base interactions energy: -240.571 where: short stacking energy: -193.147 Base-Backbone interact. energy: 0.975 local terms energy: -413.413918 where: bonds (distance) C4'-P energy: -123.360 bonds (distance) P-C4' energy: -134.197 flat angles C4'-P-C4' energy: -112.566 flat angles P-C4'-P energy: -74.159 tors. eta vs tors. theta energy: 30.867 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: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2719.353792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.353792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.353792 (E_RNA) where: Base-Base interactions energy: -1887.300 where: short stacking energy: -744.289 Base-Backbone interact. energy: -2.297 local terms energy: -829.756627 where: bonds (distance) C4'-P energy: -168.604 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -178.994 flat angles P-C4'-P energy: -116.632 tors. eta vs tors. theta energy: -203.899 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: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2600.508137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.508137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.508137 (E_RNA) where: Base-Base interactions energy: -1760.281 where: short stacking energy: -792.055 Base-Backbone interact. energy: -1.160 local terms energy: -839.067295 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -160.739 flat angles C4'-P-C4' energy: -183.889 flat angles P-C4'-P energy: -100.987 tors. eta vs tors. theta energy: -241.369 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: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2413.326906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.326906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.326906 (E_RNA) where: Base-Base interactions energy: -1664.745 where: short stacking energy: -704.737 Base-Backbone interact. energy: -3.218 local terms energy: -745.364610 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -148.379 flat angles C4'-P-C4' energy: -159.281 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -196.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2314.303663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.303663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.303663 (E_RNA) where: Base-Base interactions energy: -1580.142 where: short stacking energy: -693.318 Base-Backbone interact. energy: -2.812 local terms energy: -731.349480 where: bonds (distance) C4'-P energy: -141.494 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -145.668 flat angles P-C4'-P energy: -120.308 tors. eta vs tors. theta energy: -185.117 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: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2170.012126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.012126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.012126 (E_RNA) where: Base-Base interactions energy: -1481.254 where: short stacking energy: -602.622 Base-Backbone interact. energy: 3.511 local terms energy: -692.268835 where: bonds (distance) C4'-P energy: -126.224 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -149.535 flat angles P-C4'-P energy: -109.181 tors. eta vs tors. theta energy: -162.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1989.474551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.474551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.474551 (E_RNA) where: Base-Base interactions energy: -1277.707 where: short stacking energy: -579.460 Base-Backbone interact. energy: 0.509 local terms energy: -712.276366 where: bonds (distance) C4'-P energy: -149.891 bonds (distance) P-C4' energy: -130.643 flat angles C4'-P-C4' energy: -154.277 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -181.921 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1895.513915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.513915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.513915 (E_RNA) where: Base-Base interactions energy: -1251.843 where: short stacking energy: -575.044 Base-Backbone interact. energy: -0.215 local terms energy: -643.455721 where: bonds (distance) C4'-P energy: -130.837 bonds (distance) P-C4' energy: -128.605 flat angles C4'-P-C4' energy: -159.111 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -152.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1592.552256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.552256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.552256 (E_RNA) where: Base-Base interactions energy: -1032.602 where: short stacking energy: -450.462 Base-Backbone interact. energy: -0.793 local terms energy: -559.156437 where: bonds (distance) C4'-P energy: -118.224 bonds (distance) P-C4' energy: -137.590 flat angles C4'-P-C4' energy: -128.351 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -81.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -955.916398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.916398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.916398 (E_RNA) where: Base-Base interactions energy: -498.936 where: short stacking energy: -276.410 Base-Backbone interact. energy: 0.026 local terms energy: -457.006535 where: bonds (distance) C4'-P energy: -99.287 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -127.225 flat angles P-C4'-P energy: -75.683 tors. eta vs tors. theta energy: -25.340 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: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -658.415861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.415861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.415861 (E_RNA) where: Base-Base interactions energy: -266.977 where: short stacking energy: -177.517 Base-Backbone interact. energy: -0.984 local terms energy: -390.455116 where: bonds (distance) C4'-P energy: -123.393 bonds (distance) P-C4' energy: -118.052 flat angles C4'-P-C4' energy: -104.300 flat angles P-C4'-P energy: -73.784 tors. eta vs tors. theta energy: 29.074 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: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2656.871355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.871355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.871355 (E_RNA) where: Base-Base interactions energy: -1851.538 where: short stacking energy: -764.474 Base-Backbone interact. energy: -3.781 local terms energy: -801.552885 where: bonds (distance) C4'-P energy: -155.947 bonds (distance) P-C4' energy: -163.824 flat angles C4'-P-C4' energy: -177.283 flat angles P-C4'-P energy: -109.379 tors. eta vs tors. theta energy: -195.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2565.327385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.327385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.327385 (E_RNA) where: Base-Base interactions energy: -1727.750 where: short stacking energy: -805.336 Base-Backbone interact. energy: -1.676 local terms energy: -835.901892 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -143.703 flat angles C4'-P-C4' energy: -171.526 flat angles P-C4'-P energy: -123.795 tors. eta vs tors. theta energy: -240.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2388.188656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.188656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.188656 (E_RNA) where: Base-Base interactions energy: -1609.914 where: short stacking energy: -692.367 Base-Backbone interact. energy: 2.162 local terms energy: -780.436609 where: bonds (distance) C4'-P energy: -144.385 bonds (distance) P-C4' energy: -138.779 flat angles C4'-P-C4' energy: -177.036 flat angles P-C4'-P energy: -116.418 tors. eta vs tors. theta energy: -203.819 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: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2346.186743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.186743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.186743 (E_RNA) where: Base-Base interactions energy: -1619.933 where: short stacking energy: -656.234 Base-Backbone interact. energy: -4.030 local terms energy: -722.223757 where: bonds (distance) C4'-P energy: -122.411 bonds (distance) P-C4' energy: -170.364 flat angles C4'-P-C4' energy: -150.853 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -175.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2177.852821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.852821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.852821 (E_RNA) where: Base-Base interactions energy: -1462.904 where: short stacking energy: -634.659 Base-Backbone interact. energy: 0.390 local terms energy: -715.339045 where: bonds (distance) C4'-P energy: -141.588 bonds (distance) P-C4' energy: -140.643 flat angles C4'-P-C4' energy: -168.485 flat angles P-C4'-P energy: -105.605 tors. eta vs tors. theta energy: -159.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1955.055707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.055707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.055707 (E_RNA) where: Base-Base interactions energy: -1301.665 where: short stacking energy: -581.650 Base-Backbone interact. energy: 0.513 local terms energy: -653.903402 where: bonds (distance) C4'-P energy: -130.661 bonds (distance) P-C4' energy: -131.226 flat angles C4'-P-C4' energy: -141.513 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -149.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1925.897296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.897296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.897296 (E_RNA) where: Base-Base interactions energy: -1308.036 where: short stacking energy: -568.013 Base-Backbone interact. energy: 1.600 local terms energy: -619.462111 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -156.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1532.166629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.166629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.166629 (E_RNA) where: Base-Base interactions energy: -972.105 where: short stacking energy: -453.499 Base-Backbone interact. energy: 0.838 local terms energy: -560.899942 where: bonds (distance) C4'-P energy: -125.409 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -97.583 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: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1051.763424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.763424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.763424 (E_RNA) where: Base-Base interactions energy: -560.695 where: short stacking energy: -284.579 Base-Backbone interact. energy: 1.683 local terms energy: -492.751496 where: bonds (distance) C4'-P energy: -123.461 bonds (distance) P-C4' energy: -134.417 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -82.585 tors. eta vs tors. theta energy: -27.152 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: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -744.195873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.195873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.195873 (E_RNA) where: Base-Base interactions energy: -327.427 where: short stacking energy: -220.220 Base-Backbone interact. energy: 18.122 local terms energy: -434.891057 where: bonds (distance) C4'-P energy: -130.600 bonds (distance) P-C4' energy: -121.008 flat angles C4'-P-C4' energy: -115.709 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: 11.981 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: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2660.279417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.279417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.279417 (E_RNA) where: Base-Base interactions energy: -1873.724 where: short stacking energy: -740.637 Base-Backbone interact. energy: -3.584 local terms energy: -782.971439 where: bonds (distance) C4'-P energy: -146.945 bonds (distance) P-C4' energy: -152.124 flat angles C4'-P-C4' energy: -175.794 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -197.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2584.560569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.560569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.560569 (E_RNA) where: Base-Base interactions energy: -1766.526 where: short stacking energy: -789.560 Base-Backbone interact. energy: -3.297 local terms energy: -814.737525 where: bonds (distance) C4'-P energy: -137.486 bonds (distance) P-C4' energy: -146.786 flat angles C4'-P-C4' energy: -175.301 flat angles P-C4'-P energy: -122.516 tors. eta vs tors. theta energy: -232.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2429.521941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.521941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.521941 (E_RNA) where: Base-Base interactions energy: -1651.298 where: short stacking energy: -722.160 Base-Backbone interact. energy: -3.661 local terms energy: -774.562837 where: bonds (distance) C4'-P energy: -155.900 bonds (distance) P-C4' energy: -145.068 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -101.763 tors. eta vs tors. theta energy: -216.176 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: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2352.094254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.094254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.094254 (E_RNA) where: Base-Base interactions energy: -1628.544 where: short stacking energy: -708.833 Base-Backbone interact. energy: -1.216 local terms energy: -722.334581 where: bonds (distance) C4'-P energy: -141.864 bonds (distance) P-C4' energy: -128.914 flat angles C4'-P-C4' energy: -163.777 flat angles P-C4'-P energy: -97.662 tors. eta vs tors. theta energy: -190.118 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: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2156.580036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.580036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.580036 (E_RNA) where: Base-Base interactions energy: -1461.081 where: short stacking energy: -661.782 Base-Backbone interact. energy: -1.583 local terms energy: -693.916414 where: bonds (distance) C4'-P energy: -130.727 bonds (distance) P-C4' energy: -144.962 flat angles C4'-P-C4' energy: -164.904 flat angles P-C4'-P energy: -87.174 tors. eta vs tors. theta energy: -166.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1891.353071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.353071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.353071 (E_RNA) where: Base-Base interactions energy: -1251.716 where: short stacking energy: -533.625 Base-Backbone interact. energy: -2.950 local terms energy: -636.687115 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -137.384 flat angles C4'-P-C4' energy: -142.803 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -120.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1845.846540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.846540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.846540 (E_RNA) where: Base-Base interactions energy: -1250.862 where: short stacking energy: -528.435 Base-Backbone interact. energy: -1.776 local terms energy: -593.208858 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -123.897 flat angles C4'-P-C4' energy: -140.836 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -121.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1567.915105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.915105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.915105 (E_RNA) where: Base-Base interactions energy: -1013.324 where: short stacking energy: -460.675 Base-Backbone interact. energy: -2.094 local terms energy: -552.496685 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -129.643 flat angles C4'-P-C4' energy: -149.211 flat angles P-C4'-P energy: -85.737 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: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -986.545830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.545830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.545830 (E_RNA) where: Base-Base interactions energy: -510.803 where: short stacking energy: -287.468 Base-Backbone interact. energy: -3.310 local terms energy: -472.432355 where: bonds (distance) C4'-P energy: -115.023 bonds (distance) P-C4' energy: -131.448 flat angles C4'-P-C4' energy: -123.209 flat angles P-C4'-P energy: -81.216 tors. eta vs tors. theta energy: -21.537 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: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -700.500394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.500394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.500394 (E_RNA) where: Base-Base interactions energy: -270.616 where: short stacking energy: -169.112 Base-Backbone interact. energy: -1.900 local terms energy: -427.984753 where: bonds (distance) C4'-P energy: -122.204 bonds (distance) P-C4' energy: -136.378 flat angles C4'-P-C4' energy: -133.636 flat angles P-C4'-P energy: -54.855 tors. eta vs tors. theta energy: 19.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2680.240325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.240325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.240325 (E_RNA) where: Base-Base interactions energy: -1858.656 where: short stacking energy: -763.575 Base-Backbone interact. energy: -1.341 local terms energy: -820.242964 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -165.133 flat angles C4'-P-C4' energy: -187.324 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -201.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2592.372036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.372036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.372036 (E_RNA) where: Base-Base interactions energy: -1782.714 where: short stacking energy: -796.437 Base-Backbone interact. energy: -1.837 local terms energy: -807.821220 where: bonds (distance) C4'-P energy: -136.601 bonds (distance) P-C4' energy: -141.325 flat angles C4'-P-C4' energy: -176.365 flat angles P-C4'-P energy: -120.407 tors. eta vs tors. theta energy: -233.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2456.690676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.690676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.690676 (E_RNA) where: Base-Base interactions energy: -1677.742 where: short stacking energy: -748.116 Base-Backbone interact. energy: -4.042 local terms energy: -774.906520 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -151.871 flat angles C4'-P-C4' energy: -148.389 flat angles P-C4'-P energy: -105.922 tors. eta vs tors. theta energy: -218.462 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: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2341.619622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.619622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.619622 (E_RNA) where: Base-Base interactions energy: -1626.201 where: short stacking energy: -661.414 Base-Backbone interact. energy: -2.434 local terms energy: -712.984727 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -130.282 flat angles C4'-P-C4' energy: -150.592 flat angles P-C4'-P energy: -104.109 tors. eta vs tors. theta energy: -189.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2160.822180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.822180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.822180 (E_RNA) where: Base-Base interactions energy: -1474.162 where: short stacking energy: -632.459 Base-Backbone interact. energy: -0.563 local terms energy: -686.096938 where: bonds (distance) C4'-P energy: -130.931 bonds (distance) P-C4' energy: -138.980 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -91.064 tors. eta vs tors. theta energy: -161.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1952.944179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.944179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.944179 (E_RNA) where: Base-Base interactions energy: -1335.587 where: short stacking energy: -608.912 Base-Backbone interact. energy: -3.527 local terms energy: -613.830652 where: bonds (distance) C4'-P energy: -117.662 bonds (distance) P-C4' energy: -118.090 flat angles C4'-P-C4' energy: -144.780 flat angles P-C4'-P energy: -84.932 tors. eta vs tors. theta energy: -148.367 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: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1874.872299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.872299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.872299 (E_RNA) where: Base-Base interactions energy: -1228.596 where: short stacking energy: -545.804 Base-Backbone interact. energy: -3.059 local terms energy: -643.216660 where: bonds (distance) C4'-P energy: -140.241 bonds (distance) P-C4' energy: -147.899 flat angles C4'-P-C4' energy: -134.805 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -130.288 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: 254 Temperature: 1.250000 Total energy: -1526.730917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.730917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.730917 (E_RNA) where: Base-Base interactions energy: -1002.564 where: short stacking energy: -449.578 Base-Backbone interact. energy: 2.154 local terms energy: -526.321751 where: bonds (distance) C4'-P energy: -114.505 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -145.879 flat angles P-C4'-P energy: -58.997 tors. eta vs tors. theta energy: -94.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -962.971959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.971959 (E_RNA) where: Base-Base interactions energy: -522.478 where: short stacking energy: -263.265 Base-Backbone interact. energy: 3.927 local terms energy: -444.421253 where: bonds (distance) C4'-P energy: -127.582 bonds (distance) P-C4' energy: -147.144 flat angles C4'-P-C4' energy: -101.723 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: -10.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -722.098111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.098111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.098111 (E_RNA) where: Base-Base interactions energy: -336.774 where: short stacking energy: -231.070 Base-Backbone interact. energy: 6.157 local terms energy: -391.481388 where: bonds (distance) C4'-P energy: -110.512 bonds (distance) P-C4' energy: -121.830 flat angles C4'-P-C4' energy: -114.573 flat angles P-C4'-P energy: -53.365 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: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2683.313566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.313566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.313566 (E_RNA) where: Base-Base interactions energy: -1885.360 where: short stacking energy: -772.066 Base-Backbone interact. energy: -3.937 local terms energy: -794.017210 where: bonds (distance) C4'-P energy: -136.555 bonds (distance) P-C4' energy: -150.348 flat angles C4'-P-C4' energy: -185.713 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -213.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2591.121220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.121220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.121220 (E_RNA) where: Base-Base interactions energy: -1760.542 where: short stacking energy: -794.282 Base-Backbone interact. energy: -3.190 local terms energy: -827.389491 where: bonds (distance) C4'-P energy: -137.773 bonds (distance) P-C4' energy: -151.870 flat angles C4'-P-C4' energy: -172.737 flat angles P-C4'-P energy: -126.212 tors. eta vs tors. theta energy: -238.796 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: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2448.173458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.173458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.173458 (E_RNA) where: Base-Base interactions energy: -1680.477 where: short stacking energy: -742.207 Base-Backbone interact. energy: 0.667 local terms energy: -768.362798 where: bonds (distance) C4'-P energy: -139.183 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -165.999 flat angles P-C4'-P energy: -103.617 tors. eta vs tors. theta energy: -211.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2395.445902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.445902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.445902 (E_RNA) where: Base-Base interactions energy: -1657.917 where: short stacking energy: -681.865 Base-Backbone interact. energy: -6.328 local terms energy: -731.200861 where: bonds (distance) C4'-P energy: -142.149 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -102.206 tors. eta vs tors. theta energy: -192.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2164.188176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.188176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.188176 (E_RNA) where: Base-Base interactions energy: -1489.573 where: short stacking energy: -660.942 Base-Backbone interact. energy: -2.077 local terms energy: -672.538615 where: bonds (distance) C4'-P energy: -121.355 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -151.199 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -151.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1930.157204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.157204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.157204 (E_RNA) where: Base-Base interactions energy: -1283.491 where: short stacking energy: -572.876 Base-Backbone interact. energy: -3.575 local terms energy: -643.091761 where: bonds (distance) C4'-P energy: -128.015 bonds (distance) P-C4' energy: -144.542 flat angles C4'-P-C4' energy: -152.937 flat angles P-C4'-P energy: -88.819 tors. eta vs tors. theta energy: -128.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1812.196923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.196923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.196923 (E_RNA) where: Base-Base interactions energy: -1186.500 where: short stacking energy: -525.351 Base-Backbone interact. energy: -3.089 local terms energy: -622.607160 where: bonds (distance) C4'-P energy: -122.202 bonds (distance) P-C4' energy: -140.205 flat angles C4'-P-C4' energy: -141.604 flat angles P-C4'-P energy: -100.660 tors. eta vs tors. theta energy: -117.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1563.487608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.487608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.487608 (E_RNA) where: Base-Base interactions energy: -1014.489 where: short stacking energy: -466.394 Base-Backbone interact. energy: 5.152 local terms energy: -554.150592 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -115.410 flat angles C4'-P-C4' energy: -138.562 flat angles P-C4'-P energy: -79.380 tors. eta vs tors. theta energy: -95.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -987.941876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.941876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.941876 (E_RNA) where: Base-Base interactions energy: -560.177 where: short stacking energy: -262.433 Base-Backbone interact. energy: 1.875 local terms energy: -429.640450 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -150.877 flat angles C4'-P-C4' energy: -111.522 flat angles P-C4'-P energy: -58.745 tors. eta vs tors. theta energy: 9.739 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: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -737.974001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.974001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.974001 (E_RNA) where: Base-Base interactions energy: -330.914 where: short stacking energy: -209.316 Base-Backbone interact. energy: -0.080 local terms energy: -406.979111 where: bonds (distance) C4'-P energy: -120.397 bonds (distance) P-C4' energy: -133.219 flat angles C4'-P-C4' energy: -112.541 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: 16.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2713.820092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.820092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.820092 (E_RNA) where: Base-Base interactions energy: -1908.231 where: short stacking energy: -784.490 Base-Backbone interact. energy: -0.404 local terms energy: -805.185329 where: bonds (distance) C4'-P energy: -151.832 bonds (distance) P-C4' energy: -156.298 flat angles C4'-P-C4' energy: -182.735 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -216.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2543.625051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.625051 (E_RNA) where: Base-Base interactions energy: -1733.104 where: short stacking energy: -792.114 Base-Backbone interact. energy: -4.725 local terms energy: -805.796076 where: bonds (distance) C4'-P energy: -162.056 bonds (distance) P-C4' energy: -134.416 flat angles C4'-P-C4' energy: -165.502 flat angles P-C4'-P energy: -107.674 tors. eta vs tors. theta energy: -236.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2444.009618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.009618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.009618 (E_RNA) where: Base-Base interactions energy: -1701.628 where: short stacking energy: -723.984 Base-Backbone interact. energy: -1.687 local terms energy: -740.695101 where: bonds (distance) C4'-P energy: -133.217 bonds (distance) P-C4' energy: -151.807 flat angles C4'-P-C4' energy: -145.818 flat angles P-C4'-P energy: -113.763 tors. eta vs tors. theta energy: -196.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2403.164831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.164831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.164831 (E_RNA) where: Base-Base interactions energy: -1643.428 where: short stacking energy: -735.134 Base-Backbone interact. energy: 2.703 local terms energy: -762.439670 where: bonds (distance) C4'-P energy: -144.734 bonds (distance) P-C4' energy: -145.019 flat angles C4'-P-C4' energy: -161.269 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -214.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2159.941538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.941538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.941538 (E_RNA) where: Base-Base interactions energy: -1496.597 where: short stacking energy: -583.220 Base-Backbone interact. energy: -0.651 local terms energy: -662.693324 where: bonds (distance) C4'-P energy: -112.880 bonds (distance) P-C4' energy: -147.788 flat angles C4'-P-C4' energy: -147.162 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -161.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1929.682430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.682430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.682430 (E_RNA) where: Base-Base interactions energy: -1289.509 where: short stacking energy: -585.930 Base-Backbone interact. energy: -4.721 local terms energy: -635.453008 where: bonds (distance) C4'-P energy: -119.447 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -145.614 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -153.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1812.254179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.254179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.254179 (E_RNA) where: Base-Base interactions energy: -1229.613 where: short stacking energy: -531.957 Base-Backbone interact. energy: -0.191 local terms energy: -582.449947 where: bonds (distance) C4'-P energy: -115.225 bonds (distance) P-C4' energy: -120.633 flat angles C4'-P-C4' energy: -129.117 flat angles P-C4'-P energy: -83.237 tors. eta vs tors. theta energy: -134.237 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: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1543.129803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.129803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.129803 (E_RNA) where: Base-Base interactions energy: -980.928 where: short stacking energy: -467.346 Base-Backbone interact. energy: -1.861 local terms energy: -560.340729 where: bonds (distance) C4'-P energy: -129.478 bonds (distance) P-C4' energy: -119.341 flat angles C4'-P-C4' energy: -133.955 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -100.088 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: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -960.537301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.537301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.537301 (E_RNA) where: Base-Base interactions energy: -502.649 where: short stacking energy: -261.412 Base-Backbone interact. energy: 0.919 local terms energy: -458.806870 where: bonds (distance) C4'-P energy: -136.360 bonds (distance) P-C4' energy: -110.689 flat angles C4'-P-C4' energy: -125.644 flat angles P-C4'-P energy: -67.437 tors. eta vs tors. theta energy: -18.677 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: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -690.915729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.915729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.915729 (E_RNA) where: Base-Base interactions energy: -310.460 where: short stacking energy: -206.749 Base-Backbone interact. energy: 2.513 local terms energy: -382.968702 where: bonds (distance) C4'-P energy: -110.111 bonds (distance) P-C4' energy: -109.207 flat angles C4'-P-C4' energy: -126.486 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: 19.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2707.305165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.305165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.305165 (E_RNA) where: Base-Base interactions energy: -1918.165 where: short stacking energy: -775.472 Base-Backbone interact. energy: -5.377 local terms energy: -783.763628 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -147.010 flat angles C4'-P-C4' energy: -171.729 flat angles P-C4'-P energy: -118.873 tors. eta vs tors. theta energy: -205.189 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: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2566.525911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.525911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.525911 (E_RNA) where: Base-Base interactions energy: -1699.570 where: short stacking energy: -780.856 Base-Backbone interact. energy: -3.743 local terms energy: -863.213110 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -154.204 flat angles C4'-P-C4' energy: -182.157 flat angles P-C4'-P energy: -129.117 tors. eta vs tors. theta energy: -239.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2459.865239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.865239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.865239 (E_RNA) where: Base-Base interactions energy: -1712.487 where: short stacking energy: -723.680 Base-Backbone interact. energy: -3.410 local terms energy: -743.968284 where: bonds (distance) C4'-P energy: -130.719 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -145.234 flat angles P-C4'-P energy: -113.984 tors. eta vs tors. theta energy: -204.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2366.985940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.985940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.985940 (E_RNA) where: Base-Base interactions energy: -1599.401 where: short stacking energy: -702.701 Base-Backbone interact. energy: -3.723 local terms energy: -763.862511 where: bonds (distance) C4'-P energy: -148.830 bonds (distance) P-C4' energy: -139.915 flat angles C4'-P-C4' energy: -158.791 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -208.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2144.744649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.744649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.744649 (E_RNA) where: Base-Base interactions energy: -1486.884 where: short stacking energy: -626.810 Base-Backbone interact. energy: 0.328 local terms energy: -658.189050 where: bonds (distance) C4'-P energy: -126.996 bonds (distance) P-C4' energy: -139.383 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -175.058 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: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1958.350921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.350921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.350921 (E_RNA) where: Base-Base interactions energy: -1301.605 where: short stacking energy: -583.169 Base-Backbone interact. energy: -1.714 local terms energy: -655.032596 where: bonds (distance) C4'-P energy: -115.709 bonds (distance) P-C4' energy: -146.111 flat angles C4'-P-C4' energy: -133.157 flat angles P-C4'-P energy: -98.747 tors. eta vs tors. theta energy: -161.309 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1811.936400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.936400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.936400 (E_RNA) where: Base-Base interactions energy: -1203.687 where: short stacking energy: -521.562 Base-Backbone interact. energy: 3.280 local terms energy: -611.529534 where: bonds (distance) C4'-P energy: -119.004 bonds (distance) P-C4' energy: -135.927 flat angles C4'-P-C4' energy: -150.086 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -116.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1529.520849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.520849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.520849 (E_RNA) where: Base-Base interactions energy: -966.545 where: short stacking energy: -459.147 Base-Backbone interact. energy: -3.027 local terms energy: -559.949417 where: bonds (distance) C4'-P energy: -117.360 bonds (distance) P-C4' energy: -120.572 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -87.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -908.676416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.676416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.676416 (E_RNA) where: Base-Base interactions energy: -465.157 where: short stacking energy: -279.695 Base-Backbone interact. energy: 2.981 local terms energy: -446.499693 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -117.118 flat angles C4'-P-C4' energy: -119.304 flat angles P-C4'-P energy: -85.589 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -716.675534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.675534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.675534 (E_RNA) where: Base-Base interactions energy: -336.036 where: short stacking energy: -209.865 Base-Backbone interact. energy: 1.234 local terms energy: -381.873071 where: bonds (distance) C4'-P energy: -100.099 bonds (distance) P-C4' energy: -128.110 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -66.992 tors. eta vs tors. theta energy: 13.750 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: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2687.829951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.829951 (E_RNA) where: Base-Base interactions energy: -1880.886 where: short stacking energy: -724.286 Base-Backbone interact. energy: -1.932 local terms energy: -805.011910 where: bonds (distance) C4'-P energy: -165.939 bonds (distance) P-C4' energy: -153.343 flat angles C4'-P-C4' energy: -165.539 flat angles P-C4'-P energy: -111.683 tors. eta vs tors. theta energy: -208.507 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: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2568.456517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.456517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.456517 (E_RNA) where: Base-Base interactions energy: -1713.780 where: short stacking energy: -796.443 Base-Backbone interact. energy: -3.380 local terms energy: -851.296740 where: bonds (distance) C4'-P energy: -145.815 bonds (distance) P-C4' energy: -167.761 flat angles C4'-P-C4' energy: -175.766 flat angles P-C4'-P energy: -114.857 tors. eta vs tors. theta energy: -247.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2423.826514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.826514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.826514 (E_RNA) where: Base-Base interactions energy: -1701.331 where: short stacking energy: -694.204 Base-Backbone interact. energy: 0.345 local terms energy: -722.839591 where: bonds (distance) C4'-P energy: -133.097 bonds (distance) P-C4' energy: -134.481 flat angles C4'-P-C4' energy: -167.205 flat angles P-C4'-P energy: -104.991 tors. eta vs tors. theta energy: -183.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2377.444235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.444235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.444235 (E_RNA) where: Base-Base interactions energy: -1598.192 where: short stacking energy: -697.048 Base-Backbone interact. energy: -2.101 local terms energy: -777.151028 where: bonds (distance) C4'-P energy: -145.973 bonds (distance) P-C4' energy: -133.481 flat angles C4'-P-C4' energy: -167.952 flat angles P-C4'-P energy: -117.209 tors. eta vs tors. theta energy: -212.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2126.137693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.137693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.137693 (E_RNA) where: Base-Base interactions energy: -1445.522 where: short stacking energy: -616.942 Base-Backbone interact. energy: -2.482 local terms energy: -678.133634 where: bonds (distance) C4'-P energy: -129.264 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -110.390 tors. eta vs tors. theta energy: -147.750 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: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1988.651949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.651949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.651949 (E_RNA) where: Base-Base interactions energy: -1327.849 where: short stacking energy: -586.364 Base-Backbone interact. energy: 0.207 local terms energy: -661.009941 where: bonds (distance) C4'-P energy: -132.605 bonds (distance) P-C4' energy: -133.941 flat angles C4'-P-C4' energy: -155.752 flat angles P-C4'-P energy: -74.263 tors. eta vs tors. theta energy: -164.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1817.899476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.899476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.899476 (E_RNA) where: Base-Base interactions energy: -1221.716 where: short stacking energy: -541.324 Base-Backbone interact. energy: -2.661 local terms energy: -593.521954 where: bonds (distance) C4'-P energy: -86.160 bonds (distance) P-C4' energy: -136.434 flat angles C4'-P-C4' energy: -132.614 flat angles P-C4'-P energy: -101.092 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: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1475.093331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.093331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.093331 (E_RNA) where: Base-Base interactions energy: -914.026 where: short stacking energy: -409.606 Base-Backbone interact. energy: 1.043 local terms energy: -562.110763 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -138.955 flat angles P-C4'-P energy: -73.218 tors. eta vs tors. theta energy: -91.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -879.608625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.608625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.608625 (E_RNA) where: Base-Base interactions energy: -432.622 where: short stacking energy: -249.803 Base-Backbone interact. energy: 3.780 local terms energy: -450.766226 where: bonds (distance) C4'-P energy: -117.349 bonds (distance) P-C4' energy: -137.077 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -21.999 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: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -740.655790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.655790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.655790 (E_RNA) where: Base-Base interactions energy: -328.404 where: short stacking energy: -204.254 Base-Backbone interact. energy: -0.465 local terms energy: -411.787554 where: bonds (distance) C4'-P energy: -110.976 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -123.318 flat angles P-C4'-P energy: -63.451 tors. eta vs tors. theta energy: 10.141 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: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2703.741014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.741014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.741014 (E_RNA) where: Base-Base interactions energy: -1879.966 where: short stacking energy: -797.827 Base-Backbone interact. energy: -2.365 local terms energy: -821.409893 where: bonds (distance) C4'-P energy: -157.584 bonds (distance) P-C4' energy: -164.257 flat angles C4'-P-C4' energy: -168.900 flat angles P-C4'-P energy: -117.296 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: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2542.195649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.195649 (E_RNA) where: Base-Base interactions energy: -1692.945 where: short stacking energy: -784.501 Base-Backbone interact. energy: -1.721 local terms energy: -847.529341 where: bonds (distance) C4'-P energy: -161.375 bonds (distance) P-C4' energy: -168.635 flat angles C4'-P-C4' energy: -169.128 flat angles P-C4'-P energy: -112.313 tors. eta vs tors. theta energy: -236.078 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: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2478.392325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.392325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.392325 (E_RNA) where: Base-Base interactions energy: -1710.076 where: short stacking energy: -706.551 Base-Backbone interact. energy: -4.392 local terms energy: -763.924760 where: bonds (distance) C4'-P energy: -156.267 bonds (distance) P-C4' energy: -136.760 flat angles C4'-P-C4' energy: -167.387 flat angles P-C4'-P energy: -112.128 tors. eta vs tors. theta energy: -191.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2363.902551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.902551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.902551 (E_RNA) where: Base-Base interactions energy: -1606.008 where: short stacking energy: -708.993 Base-Backbone interact. energy: -3.212 local terms energy: -754.682566 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -141.789 flat angles C4'-P-C4' energy: -162.358 flat angles P-C4'-P energy: -103.666 tors. eta vs tors. theta energy: -204.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2140.045249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.045249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.045249 (E_RNA) where: Base-Base interactions energy: -1458.954 where: short stacking energy: -617.075 Base-Backbone interact. energy: -3.594 local terms energy: -677.497329 where: bonds (distance) C4'-P energy: -126.767 bonds (distance) P-C4' energy: -134.809 flat angles C4'-P-C4' energy: -160.776 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -153.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1944.520483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.520483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.520483 (E_RNA) where: Base-Base interactions energy: -1320.784 where: short stacking energy: -554.713 Base-Backbone interact. energy: -1.541 local terms energy: -622.195664 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -138.545 flat angles C4'-P-C4' energy: -128.497 flat angles P-C4'-P energy: -86.565 tors. eta vs tors. theta energy: -130.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1865.325918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.325918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.325918 (E_RNA) where: Base-Base interactions energy: -1249.033 where: short stacking energy: -566.202 Base-Backbone interact. energy: 2.259 local terms energy: -618.552014 where: bonds (distance) C4'-P energy: -130.185 bonds (distance) P-C4' energy: -134.454 flat angles C4'-P-C4' energy: -132.603 flat angles P-C4'-P energy: -83.967 tors. eta vs tors. theta energy: -137.343 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1514.264882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.264882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.264882 (E_RNA) where: Base-Base interactions energy: -968.658 where: short stacking energy: -445.274 Base-Backbone interact. energy: -2.983 local terms energy: -542.623877 where: bonds (distance) C4'-P energy: -120.132 bonds (distance) P-C4' energy: -122.050 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -76.166 tors. eta vs tors. theta energy: -90.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -892.207642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.207642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.207642 (E_RNA) where: Base-Base interactions energy: -458.133 where: short stacking energy: -257.361 Base-Backbone interact. energy: -0.008 local terms energy: -434.067050 where: bonds (distance) C4'-P energy: -125.023 bonds (distance) P-C4' energy: -133.218 flat angles C4'-P-C4' energy: -105.606 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: 1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -826.953495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.953495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.953495 (E_RNA) where: Base-Base interactions energy: -416.748 where: short stacking energy: -215.876 Base-Backbone interact. energy: -3.970 local terms energy: -406.235074 where: bonds (distance) C4'-P energy: -110.000 bonds (distance) P-C4' energy: -145.493 flat angles C4'-P-C4' energy: -107.271 flat angles P-C4'-P energy: -50.231 tors. eta vs tors. theta energy: 6.761 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: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2681.296784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.296784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.296784 (E_RNA) where: Base-Base interactions energy: -1850.523 where: short stacking energy: -750.433 Base-Backbone interact. energy: -2.194 local terms energy: -828.579645 where: bonds (distance) C4'-P energy: -150.205 bonds (distance) P-C4' energy: -165.370 flat angles C4'-P-C4' energy: -183.994 flat angles P-C4'-P energy: -119.553 tors. eta vs tors. theta energy: -209.458 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: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2537.891229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.891229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.891229 (E_RNA) where: Base-Base interactions energy: -1732.710 where: short stacking energy: -814.474 Base-Backbone interact. energy: -1.996 local terms energy: -803.185481 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -131.792 flat angles C4'-P-C4' energy: -180.615 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -237.574 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2453.398980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.398980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.398980 (E_RNA) where: Base-Base interactions energy: -1706.707 where: short stacking energy: -718.081 Base-Backbone interact. energy: -2.870 local terms energy: -743.821642 where: bonds (distance) C4'-P energy: -141.419 bonds (distance) P-C4' energy: -146.718 flat angles C4'-P-C4' energy: -167.713 flat angles P-C4'-P energy: -102.224 tors. eta vs tors. theta energy: -185.748 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: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2312.964583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.964583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.964583 (E_RNA) where: Base-Base interactions energy: -1583.584 where: short stacking energy: -657.625 Base-Backbone interact. energy: -0.647 local terms energy: -728.734381 where: bonds (distance) C4'-P energy: -135.937 bonds (distance) P-C4' energy: -150.595 flat angles C4'-P-C4' energy: -170.311 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -185.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2094.830516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.830516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.830516 (E_RNA) where: Base-Base interactions energy: -1411.507 where: short stacking energy: -595.143 Base-Backbone interact. energy: 2.904 local terms energy: -686.227173 where: bonds (distance) C4'-P energy: -136.777 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -156.805 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -147.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1926.667368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.667368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.667368 (E_RNA) where: Base-Base interactions energy: -1296.606 where: short stacking energy: -555.355 Base-Backbone interact. energy: -3.417 local terms energy: -626.644833 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -145.028 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -137.129 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: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1886.668652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.668652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.668652 (E_RNA) where: Base-Base interactions energy: -1270.602 where: short stacking energy: -583.167 Base-Backbone interact. energy: -1.154 local terms energy: -614.912940 where: bonds (distance) C4'-P energy: -118.396 bonds (distance) P-C4' energy: -114.218 flat angles C4'-P-C4' energy: -157.521 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -152.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1557.744938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.744938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.744938 (E_RNA) where: Base-Base interactions energy: -990.050 where: short stacking energy: -472.374 Base-Backbone interact. energy: -1.431 local terms energy: -566.264404 where: bonds (distance) C4'-P energy: -132.919 bonds (distance) P-C4' energy: -121.367 flat angles C4'-P-C4' energy: -118.677 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -107.346 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: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -923.528243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.528243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.528243 (E_RNA) where: Base-Base interactions energy: -520.126 where: short stacking energy: -300.059 Base-Backbone interact. energy: -3.225 local terms energy: -400.177515 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -119.287 flat angles C4'-P-C4' energy: -103.972 flat angles P-C4'-P energy: -45.236 tors. eta vs tors. theta energy: -17.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -754.429284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.429284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.429284 (E_RNA) where: Base-Base interactions energy: -325.167 where: short stacking energy: -189.957 Base-Backbone interact. energy: 3.304 local terms energy: -432.565479 where: bonds (distance) C4'-P energy: -112.649 bonds (distance) P-C4' energy: -125.938 flat angles C4'-P-C4' energy: -132.399 flat angles P-C4'-P energy: -69.569 tors. eta vs tors. theta energy: 7.990 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: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2702.855987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.855987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.855987 (E_RNA) where: Base-Base interactions energy: -1885.812 where: short stacking energy: -788.301 Base-Backbone interact. energy: -4.840 local terms energy: -812.204292 where: bonds (distance) C4'-P energy: -130.391 bonds (distance) P-C4' energy: -170.637 flat angles C4'-P-C4' energy: -166.593 flat angles P-C4'-P energy: -119.794 tors. eta vs tors. theta energy: -224.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2500.729642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.729642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.729642 (E_RNA) where: Base-Base interactions energy: -1712.779 where: short stacking energy: -729.823 Base-Backbone interact. energy: -0.180 local terms energy: -787.770503 where: bonds (distance) C4'-P energy: -149.602 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -173.709 flat angles P-C4'-P energy: -117.433 tors. eta vs tors. theta energy: -195.909 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: 261 Temperature: 1.000000 Total energy: -2483.668114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.668114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.668114 (E_RNA) where: Base-Base interactions energy: -1685.617 where: short stacking energy: -739.392 Base-Backbone interact. energy: -2.915 local terms energy: -795.135261 where: bonds (distance) C4'-P energy: -164.936 bonds (distance) P-C4' energy: -136.165 flat angles C4'-P-C4' energy: -159.449 flat angles P-C4'-P energy: -105.092 tors. eta vs tors. theta energy: -229.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2308.696897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.696897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.696897 (E_RNA) where: Base-Base interactions energy: -1586.606 where: short stacking energy: -674.230 Base-Backbone interact. energy: -4.484 local terms energy: -717.607425 where: bonds (distance) C4'-P energy: -147.569 bonds (distance) P-C4' energy: -142.392 flat angles C4'-P-C4' energy: -154.314 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: -189.306 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: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2175.132219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.132219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.132219 (E_RNA) where: Base-Base interactions energy: -1501.205 where: short stacking energy: -627.796 Base-Backbone interact. energy: -3.206 local terms energy: -670.720721 where: bonds (distance) C4'-P energy: -108.922 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -148.293 flat angles P-C4'-P energy: -110.990 tors. eta vs tors. theta energy: -163.565 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: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1894.072579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.072579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.072579 (E_RNA) where: Base-Base interactions energy: -1269.888 where: short stacking energy: -522.265 Base-Backbone interact. energy: 0.541 local terms energy: -624.725890 where: bonds (distance) C4'-P energy: -147.690 bonds (distance) P-C4' energy: -135.481 flat angles C4'-P-C4' energy: -133.477 flat angles P-C4'-P energy: -82.888 tors. eta vs tors. theta energy: -125.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1881.968996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.968996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.968996 (E_RNA) where: Base-Base interactions energy: -1247.005 where: short stacking energy: -540.991 Base-Backbone interact. energy: -1.388 local terms energy: -633.575340 where: bonds (distance) C4'-P energy: -135.695 bonds (distance) P-C4' energy: -142.842 flat angles C4'-P-C4' energy: -146.778 flat angles P-C4'-P energy: -69.245 tors. eta vs tors. theta energy: -139.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1592.355296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.355296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.355296 (E_RNA) where: Base-Base interactions energy: -1012.039 where: short stacking energy: -467.907 Base-Backbone interact. energy: -2.807 local terms energy: -577.508939 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -124.153 flat angles C4'-P-C4' energy: -129.236 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -115.834 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: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -943.707417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.707417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.707417 (E_RNA) where: Base-Base interactions energy: -511.362 where: short stacking energy: -309.043 Base-Backbone interact. energy: 5.172 local terms energy: -437.517808 where: bonds (distance) C4'-P energy: -117.355 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -107.159 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -23.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -754.219733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.219733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.219733 (E_RNA) where: Base-Base interactions energy: -345.544 where: short stacking energy: -205.807 Base-Backbone interact. energy: 3.312 local terms energy: -411.988457 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -60.306 tors. eta vs tors. theta energy: 19.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2688.003145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.003145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.003145 (E_RNA) where: Base-Base interactions energy: -1866.794 where: short stacking energy: -767.668 Base-Backbone interact. energy: 0.712 local terms energy: -821.921250 where: bonds (distance) C4'-P energy: -157.003 bonds (distance) P-C4' energy: -133.788 flat angles C4'-P-C4' energy: -184.968 flat angles P-C4'-P energy: -125.473 tors. eta vs tors. theta energy: -220.690 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: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2526.514672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.514672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.514672 (E_RNA) where: Base-Base interactions energy: -1741.790 where: short stacking energy: -753.381 Base-Backbone interact. energy: -2.860 local terms energy: -781.864594 where: bonds (distance) C4'-P energy: -134.044 bonds (distance) P-C4' energy: -144.415 flat angles C4'-P-C4' energy: -169.957 flat angles P-C4'-P energy: -126.469 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: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2496.371834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.371834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.371834 (E_RNA) where: Base-Base interactions energy: -1705.439 where: short stacking energy: -757.005 Base-Backbone interact. energy: -1.551 local terms energy: -789.381359 where: bonds (distance) C4'-P energy: -151.787 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -165.178 flat angles P-C4'-P energy: -102.478 tors. eta vs tors. theta energy: -231.773 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: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2332.682178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.682178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.682178 (E_RNA) where: Base-Base interactions energy: -1604.326 where: short stacking energy: -679.442 Base-Backbone interact. energy: -0.711 local terms energy: -727.644453 where: bonds (distance) C4'-P energy: -137.421 bonds (distance) P-C4' energy: -142.865 flat angles C4'-P-C4' energy: -163.539 flat angles P-C4'-P energy: -98.641 tors. eta vs tors. theta energy: -185.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2162.903451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.903451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.903451 (E_RNA) where: Base-Base interactions energy: -1480.364 where: short stacking energy: -593.370 Base-Backbone interact. energy: -1.576 local terms energy: -680.963409 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -133.240 flat angles C4'-P-C4' energy: -166.317 flat angles P-C4'-P energy: -100.580 tors. eta vs tors. theta energy: -157.939 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: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1892.943573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.943573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.943573 (E_RNA) where: Base-Base interactions energy: -1263.354 where: short stacking energy: -573.286 Base-Backbone interact. energy: 0.684 local terms energy: -630.274122 where: bonds (distance) C4'-P energy: -121.784 bonds (distance) P-C4' energy: -128.521 flat angles C4'-P-C4' energy: -146.120 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -137.081 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: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1848.435167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.435167 (E_RNA) where: Base-Base interactions energy: -1237.314 where: short stacking energy: -525.879 Base-Backbone interact. energy: 0.537 local terms energy: -611.658024 where: bonds (distance) C4'-P energy: -135.856 bonds (distance) P-C4' energy: -126.618 flat angles C4'-P-C4' energy: -132.380 flat angles P-C4'-P energy: -77.076 tors. eta vs tors. theta energy: -139.728 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: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1620.715987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.715987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.715987 (E_RNA) where: Base-Base interactions energy: -1048.539 where: short stacking energy: -475.750 Base-Backbone interact. energy: -1.947 local terms energy: -570.230345 where: bonds (distance) C4'-P energy: -122.553 bonds (distance) P-C4' energy: -142.388 flat angles C4'-P-C4' energy: -130.610 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -94.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -898.303377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.303377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.303377 (E_RNA) where: Base-Base interactions energy: -445.582 where: short stacking energy: -251.356 Base-Backbone interact. energy: 5.955 local terms energy: -458.676544 where: bonds (distance) C4'-P energy: -135.160 bonds (distance) P-C4' energy: -131.315 flat angles C4'-P-C4' energy: -120.243 flat angles P-C4'-P energy: -69.747 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -743.764056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.764056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.764056 (E_RNA) where: Base-Base interactions energy: -351.242 where: short stacking energy: -234.770 Base-Backbone interact. energy: 0.763 local terms energy: -393.284960 where: bonds (distance) C4'-P energy: -124.092 bonds (distance) P-C4' energy: -120.672 flat angles C4'-P-C4' energy: -101.196 flat angles P-C4'-P energy: -73.402 tors. eta vs tors. theta energy: 26.077 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: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2686.556895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.556895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.556895 (E_RNA) where: Base-Base interactions energy: -1874.117 where: short stacking energy: -763.452 Base-Backbone interact. energy: -4.941 local terms energy: -807.499669 where: bonds (distance) C4'-P energy: -156.464 bonds (distance) P-C4' energy: -143.593 flat angles C4'-P-C4' energy: -174.472 flat angles P-C4'-P energy: -112.793 tors. eta vs tors. theta energy: -220.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2540.106372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.106372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.106372 (E_RNA) where: Base-Base interactions energy: -1744.357 where: short stacking energy: -724.809 Base-Backbone interact. energy: -2.962 local terms energy: -792.787147 where: bonds (distance) C4'-P energy: -152.504 bonds (distance) P-C4' energy: -156.415 flat angles C4'-P-C4' energy: -174.597 flat angles P-C4'-P energy: -111.040 tors. eta vs tors. theta energy: -198.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2485.141077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.141077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.141077 (E_RNA) where: Base-Base interactions energy: -1683.414 where: short stacking energy: -779.729 Base-Backbone interact. energy: -1.898 local terms energy: -799.829370 where: bonds (distance) C4'-P energy: -141.472 bonds (distance) P-C4' energy: -147.766 flat angles C4'-P-C4' energy: -171.502 flat angles P-C4'-P energy: -110.046 tors. eta vs tors. theta energy: -229.043 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: 263 Temperature: 1.050000 Total energy: -2334.253207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.253207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.253207 (E_RNA) where: Base-Base interactions energy: -1581.445 where: short stacking energy: -694.622 Base-Backbone interact. energy: 0.586 local terms energy: -753.394452 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -150.930 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -98.405 tors. eta vs tors. theta energy: -196.082 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: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2129.719510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.719510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.719510 (E_RNA) where: Base-Base interactions energy: -1450.596 where: short stacking energy: -627.001 Base-Backbone interact. energy: -1.897 local terms energy: -677.226215 where: bonds (distance) C4'-P energy: -128.288 bonds (distance) P-C4' energy: -137.819 flat angles C4'-P-C4' energy: -154.904 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -153.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1868.024684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.024684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.024684 (E_RNA) where: Base-Base interactions energy: -1252.484 where: short stacking energy: -572.558 Base-Backbone interact. energy: -3.870 local terms energy: -611.670703 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -134.721 flat angles C4'-P-C4' energy: -150.853 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -136.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1832.335798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.335798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.335798 (E_RNA) where: Base-Base interactions energy: -1235.109 where: short stacking energy: -529.974 Base-Backbone interact. energy: -0.440 local terms energy: -596.786630 where: bonds (distance) C4'-P energy: -109.033 bonds (distance) P-C4' energy: -137.821 flat angles C4'-P-C4' energy: -136.621 flat angles P-C4'-P energy: -79.354 tors. eta vs tors. theta energy: -133.959 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: 263 Temperature: 1.250000 Total energy: -1670.083434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.083434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.083434 (E_RNA) where: Base-Base interactions energy: -1073.235 where: short stacking energy: -484.297 Base-Backbone interact. energy: 0.254 local terms energy: -597.102094 where: bonds (distance) C4'-P energy: -135.217 bonds (distance) P-C4' energy: -134.331 flat angles C4'-P-C4' energy: -134.467 flat angles P-C4'-P energy: -102.844 tors. eta vs tors. theta energy: -90.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -852.920321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.920321 (E_RNA) where: Base-Base interactions energy: -441.050 where: short stacking energy: -270.750 Base-Backbone interact. energy: 4.065 local terms energy: -415.935901 where: bonds (distance) C4'-P energy: -122.393 bonds (distance) P-C4' energy: -142.647 flat angles C4'-P-C4' energy: -105.606 flat angles P-C4'-P energy: -31.461 tors. eta vs tors. theta energy: -13.828 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: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -717.871716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.871716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.871716 (E_RNA) where: Base-Base interactions energy: -332.824 where: short stacking energy: -216.413 Base-Backbone interact. energy: 2.952 local terms energy: -387.999273 where: bonds (distance) C4'-P energy: -118.403 bonds (distance) P-C4' energy: -130.011 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: 23.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2724.566873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.566873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.566873 (E_RNA) where: Base-Base interactions energy: -1918.811 where: short stacking energy: -764.578 Base-Backbone interact. energy: -2.647 local terms energy: -803.108974 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -160.800 flat angles C4'-P-C4' energy: -167.793 flat angles P-C4'-P energy: -110.250 tors. eta vs tors. theta energy: -217.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2562.389214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.389214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.389214 (E_RNA) where: Base-Base interactions energy: -1729.180 where: short stacking energy: -749.714 Base-Backbone interact. energy: 2.609 local terms energy: -835.817935 where: bonds (distance) C4'-P energy: -166.783 bonds (distance) P-C4' energy: -164.420 flat angles C4'-P-C4' energy: -180.550 flat angles P-C4'-P energy: -108.609 tors. eta vs tors. theta energy: -215.456 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: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2502.171078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.171078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.171078 (E_RNA) where: Base-Base interactions energy: -1673.984 where: short stacking energy: -739.811 Base-Backbone interact. energy: 2.588 local terms energy: -830.775034 where: bonds (distance) C4'-P energy: -139.419 bonds (distance) P-C4' energy: -169.882 flat angles C4'-P-C4' energy: -179.736 flat angles P-C4'-P energy: -114.969 tors. eta vs tors. theta energy: -226.769 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2294.840328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.840328 (E_RNA) where: Base-Base interactions energy: -1562.804 where: short stacking energy: -671.239 Base-Backbone interact. energy: -1.688 local terms energy: -730.348123 where: bonds (distance) C4'-P energy: -141.434 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -152.645 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -202.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2135.442795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.442795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.442795 (E_RNA) where: Base-Base interactions energy: -1474.765 where: short stacking energy: -630.672 Base-Backbone interact. energy: 1.054 local terms energy: -661.731835 where: bonds (distance) C4'-P energy: -124.754 bonds (distance) P-C4' energy: -137.455 flat angles C4'-P-C4' energy: -151.525 flat angles P-C4'-P energy: -97.163 tors. eta vs tors. theta energy: -150.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1914.472699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.472699 (E_RNA) where: Base-Base interactions energy: -1236.815 where: short stacking energy: -563.982 Base-Backbone interact. energy: -1.967 local terms energy: -675.690070 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -159.389 flat angles P-C4'-P energy: -99.317 tors. eta vs tors. theta energy: -148.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1861.974629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.974629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.974629 (E_RNA) where: Base-Base interactions energy: -1235.140 where: short stacking energy: -559.790 Base-Backbone interact. energy: 0.111 local terms energy: -626.945714 where: bonds (distance) C4'-P energy: -121.855 bonds (distance) P-C4' energy: -121.033 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -151.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1551.495451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.495451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.495451 (E_RNA) where: Base-Base interactions energy: -1004.195 where: short stacking energy: -463.692 Base-Backbone interact. energy: -0.790 local terms energy: -546.510484 where: bonds (distance) C4'-P energy: -107.248 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -130.723 flat angles P-C4'-P energy: -100.518 tors. eta vs tors. theta energy: -89.823 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: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -791.882880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.882880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.882880 (E_RNA) where: Base-Base interactions energy: -338.465 where: short stacking energy: -212.830 Base-Backbone interact. energy: 1.985 local terms energy: -455.403073 where: bonds (distance) C4'-P energy: -111.364 bonds (distance) P-C4' energy: -132.605 flat angles C4'-P-C4' energy: -131.435 flat angles P-C4'-P energy: -77.944 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -800.063165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.063165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.063165 (E_RNA) where: Base-Base interactions energy: -358.082 where: short stacking energy: -220.767 Base-Backbone interact. energy: -1.150 local terms energy: -440.830890 where: bonds (distance) C4'-P energy: -134.336 bonds (distance) P-C4' energy: -141.669 flat angles C4'-P-C4' energy: -113.245 flat angles P-C4'-P energy: -53.882 tors. eta vs tors. theta energy: 2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2678.374010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.374010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.374010 (E_RNA) where: Base-Base interactions energy: -1904.803 where: short stacking energy: -766.398 Base-Backbone interact. energy: -6.100 local terms energy: -767.471743 where: bonds (distance) C4'-P energy: -136.732 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -161.963 flat angles P-C4'-P energy: -119.206 tors. eta vs tors. theta energy: -205.667 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: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2595.475939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.475939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.475939 (E_RNA) where: Base-Base interactions energy: -1742.399 where: short stacking energy: -790.045 Base-Backbone interact. energy: -2.165 local terms energy: -850.911658 where: bonds (distance) C4'-P energy: -148.994 bonds (distance) P-C4' energy: -163.567 flat angles C4'-P-C4' energy: -177.381 flat angles P-C4'-P energy: -121.717 tors. eta vs tors. theta energy: -239.253 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: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2519.092330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.092330 (E_RNA) where: Base-Base interactions energy: -1765.141 where: short stacking energy: -731.041 Base-Backbone interact. energy: -6.709 local terms energy: -747.243077 where: bonds (distance) C4'-P energy: -132.740 bonds (distance) P-C4' energy: -148.124 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -96.504 tors. eta vs tors. theta energy: -207.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2313.363936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.363936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.363936 (E_RNA) where: Base-Base interactions energy: -1592.859 where: short stacking energy: -685.377 Base-Backbone interact. energy: 1.706 local terms energy: -722.211590 where: bonds (distance) C4'-P energy: -143.346 bonds (distance) P-C4' energy: -130.688 flat angles C4'-P-C4' energy: -156.485 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -190.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2144.421322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.421322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.421322 (E_RNA) where: Base-Base interactions energy: -1447.248 where: short stacking energy: -609.528 Base-Backbone interact. energy: -3.421 local terms energy: -693.752033 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -155.122 flat angles P-C4'-P energy: -115.012 tors. eta vs tors. theta energy: -155.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1929.187950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.187950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.187950 (E_RNA) where: Base-Base interactions energy: -1280.882 where: short stacking energy: -590.494 Base-Backbone interact. energy: -1.683 local terms energy: -646.623566 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -142.067 flat angles C4'-P-C4' energy: -145.381 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: -132.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1819.404930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.404930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.404930 (E_RNA) where: Base-Base interactions energy: -1178.028 where: short stacking energy: -522.650 Base-Backbone interact. energy: -4.264 local terms energy: -637.113638 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -97.183 tors. eta vs tors. theta energy: -133.993 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: 265 Temperature: 1.250000 Total energy: -1530.940993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.940993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.940993 (E_RNA) where: Base-Base interactions energy: -956.702 where: short stacking energy: -421.087 Base-Backbone interact. energy: 1.077 local terms energy: -575.316127 where: bonds (distance) C4'-P energy: -132.968 bonds (distance) P-C4' energy: -141.146 flat angles C4'-P-C4' energy: -134.773 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -80.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -800.906637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.906637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.906637 (E_RNA) where: Base-Base interactions energy: -389.991 where: short stacking energy: -247.039 Base-Backbone interact. energy: -2.356 local terms energy: -408.559056 where: bonds (distance) C4'-P energy: -125.106 bonds (distance) P-C4' energy: -119.072 flat angles C4'-P-C4' energy: -101.199 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: -3.703 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: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -770.222346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.222346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.222346 (E_RNA) where: Base-Base interactions energy: -385.160 where: short stacking energy: -243.162 Base-Backbone interact. energy: 6.006 local terms energy: -391.067808 where: bonds (distance) C4'-P energy: -110.828 bonds (distance) P-C4' energy: -112.892 flat angles C4'-P-C4' energy: -107.215 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: 12.942 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: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2707.082585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.082585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.082585 (E_RNA) where: Base-Base interactions energy: -1896.453 where: short stacking energy: -746.590 Base-Backbone interact. energy: -0.216 local terms energy: -810.414025 where: bonds (distance) C4'-P energy: -152.518 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -177.144 flat angles P-C4'-P energy: -121.403 tors. eta vs tors. theta energy: -208.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2593.948647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.948647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.948647 (E_RNA) where: Base-Base interactions energy: -1759.826 where: short stacking energy: -781.622 Base-Backbone interact. energy: -2.710 local terms energy: -831.413524 where: bonds (distance) C4'-P energy: -166.674 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -172.112 flat angles P-C4'-P energy: -116.859 tors. eta vs tors. theta energy: -234.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2488.457206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.457206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.457206 (E_RNA) where: Base-Base interactions energy: -1719.560 where: short stacking energy: -716.191 Base-Backbone interact. energy: 6.018 local terms energy: -774.914753 where: bonds (distance) C4'-P energy: -138.094 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -166.175 flat angles P-C4'-P energy: -113.017 tors. eta vs tors. theta energy: -206.023 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2235.903587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.903587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.903587 (E_RNA) where: Base-Base interactions energy: -1522.707 where: short stacking energy: -665.958 Base-Backbone interact. energy: 1.560 local terms energy: -714.756614 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -159.576 flat angles P-C4'-P energy: -98.788 tors. eta vs tors. theta energy: -179.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2213.325528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.325528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.325528 (E_RNA) where: Base-Base interactions energy: -1568.420 where: short stacking energy: -636.226 Base-Backbone interact. energy: -1.449 local terms energy: -643.456479 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -127.455 flat angles C4'-P-C4' energy: -151.407 flat angles P-C4'-P energy: -93.395 tors. eta vs tors. theta energy: -145.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1926.460216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.460216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.460216 (E_RNA) where: Base-Base interactions energy: -1289.716 where: short stacking energy: -625.457 Base-Backbone interact. energy: -2.886 local terms energy: -633.858403 where: bonds (distance) C4'-P energy: -120.982 bonds (distance) P-C4' energy: -126.480 flat angles C4'-P-C4' energy: -148.848 flat angles P-C4'-P energy: -101.242 tors. eta vs tors. theta energy: -136.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1813.504094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.504094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.504094 (E_RNA) where: Base-Base interactions energy: -1186.582 where: short stacking energy: -532.561 Base-Backbone interact. energy: -0.482 local terms energy: -626.439805 where: bonds (distance) C4'-P energy: -124.873 bonds (distance) P-C4' energy: -143.733 flat angles C4'-P-C4' energy: -154.463 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -113.698 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: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1497.805635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.805635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.805635 (E_RNA) where: Base-Base interactions energy: -951.051 where: short stacking energy: -445.236 Base-Backbone interact. energy: 0.801 local terms energy: -547.555321 where: bonds (distance) C4'-P energy: -117.152 bonds (distance) P-C4' energy: -120.130 flat angles C4'-P-C4' energy: -144.487 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -79.411 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: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -788.205121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.205121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.205121 (E_RNA) where: Base-Base interactions energy: -371.873 where: short stacking energy: -221.830 Base-Backbone interact. energy: 3.374 local terms energy: -419.706393 where: bonds (distance) C4'-P energy: -117.282 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -119.195 flat angles P-C4'-P energy: -61.554 tors. eta vs tors. theta energy: 20.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -737.830954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.830954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.830954 (E_RNA) where: Base-Base interactions energy: -306.798 where: short stacking energy: -194.735 Base-Backbone interact. energy: -1.320 local terms energy: -429.713353 where: bonds (distance) C4'-P energy: -129.366 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -123.038 flat angles P-C4'-P energy: -70.849 tors. eta vs tors. theta energy: 20.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2725.323981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.323981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.323981 (E_RNA) where: Base-Base interactions energy: -1902.901 where: short stacking energy: -774.287 Base-Backbone interact. energy: -1.358 local terms energy: -821.064788 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -169.531 flat angles C4'-P-C4' energy: -180.678 flat angles P-C4'-P energy: -125.850 tors. eta vs tors. theta energy: -207.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2598.789563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.789563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.789563 (E_RNA) where: Base-Base interactions energy: -1757.908 where: short stacking energy: -786.284 Base-Backbone interact. energy: -4.700 local terms energy: -836.182234 where: bonds (distance) C4'-P energy: -137.092 bonds (distance) P-C4' energy: -166.439 flat angles C4'-P-C4' energy: -175.487 flat angles P-C4'-P energy: -120.215 tors. eta vs tors. theta energy: -236.950 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: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2466.324944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.324944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.324944 (E_RNA) where: Base-Base interactions energy: -1718.882 where: short stacking energy: -736.637 Base-Backbone interact. energy: 4.751 local terms energy: -752.193063 where: bonds (distance) C4'-P energy: -148.319 bonds (distance) P-C4' energy: -150.322 flat angles C4'-P-C4' energy: -159.177 flat angles P-C4'-P energy: -93.593 tors. eta vs tors. theta energy: -200.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2269.272168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.272168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.272168 (E_RNA) where: Base-Base interactions energy: -1523.883 where: short stacking energy: -681.453 Base-Backbone interact. energy: 1.515 local terms energy: -746.904768 where: bonds (distance) C4'-P energy: -125.517 bonds (distance) P-C4' energy: -143.166 flat angles C4'-P-C4' energy: -171.903 flat angles P-C4'-P energy: -106.999 tors. eta vs tors. theta energy: -199.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2162.115850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.115850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.115850 (E_RNA) where: Base-Base interactions energy: -1492.866 where: short stacking energy: -594.120 Base-Backbone interact. energy: -3.124 local terms energy: -666.125357 where: bonds (distance) C4'-P energy: -132.937 bonds (distance) P-C4' energy: -150.765 flat angles C4'-P-C4' energy: -161.315 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -145.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1904.987639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.987639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.987639 (E_RNA) where: Base-Base interactions energy: -1264.966 where: short stacking energy: -559.277 Base-Backbone interact. energy: 1.187 local terms energy: -641.208985 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -136.727 flat angles C4'-P-C4' energy: -132.088 flat angles P-C4'-P energy: -95.035 tors. eta vs tors. theta energy: -148.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1743.154472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.154472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.154472 (E_RNA) where: Base-Base interactions energy: -1160.327 where: short stacking energy: -506.215 Base-Backbone interact. energy: -2.025 local terms energy: -580.803052 where: bonds (distance) C4'-P energy: -103.972 bonds (distance) P-C4' energy: -140.619 flat angles C4'-P-C4' energy: -127.210 flat angles P-C4'-P energy: -88.249 tors. eta vs tors. theta energy: -120.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1520.072583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.072583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.072583 (E_RNA) where: Base-Base interactions energy: -961.150 where: short stacking energy: -436.052 Base-Backbone interact. energy: -1.524 local terms energy: -557.398929 where: bonds (distance) C4'-P energy: -130.053 bonds (distance) P-C4' energy: -117.154 flat angles C4'-P-C4' energy: -138.144 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -85.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -809.471090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.471090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.471090 (E_RNA) where: Base-Base interactions energy: -374.802 where: short stacking energy: -224.181 Base-Backbone interact. energy: 1.402 local terms energy: -436.071409 where: bonds (distance) C4'-P energy: -137.219 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -124.799 flat angles P-C4'-P energy: -60.802 tors. eta vs tors. theta energy: 4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -758.968349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.968349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.968349 (E_RNA) where: Base-Base interactions energy: -365.003 where: short stacking energy: -217.918 Base-Backbone interact. energy: -3.637 local terms energy: -390.328277 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -66.457 tors. eta vs tors. theta energy: 10.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2683.345475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.345475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.345475 (E_RNA) where: Base-Base interactions energy: -1873.084 where: short stacking energy: -745.540 Base-Backbone interact. energy: -3.588 local terms energy: -806.672699 where: bonds (distance) C4'-P energy: -159.068 bonds (distance) P-C4' energy: -154.006 flat angles C4'-P-C4' energy: -176.089 flat angles P-C4'-P energy: -115.359 tors. eta vs tors. theta energy: -202.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2554.097960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.097960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.097960 (E_RNA) where: Base-Base interactions energy: -1746.393 where: short stacking energy: -777.360 Base-Backbone interact. energy: 3.781 local terms energy: -811.485259 where: bonds (distance) C4'-P energy: -157.776 bonds (distance) P-C4' energy: -157.435 flat angles C4'-P-C4' energy: -154.155 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -232.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2434.563897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.563897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.563897 (E_RNA) where: Base-Base interactions energy: -1673.953 where: short stacking energy: -689.409 Base-Backbone interact. energy: -6.518 local terms energy: -754.092829 where: bonds (distance) C4'-P energy: -151.792 bonds (distance) P-C4' energy: -146.577 flat angles C4'-P-C4' energy: -163.138 flat angles P-C4'-P energy: -109.991 tors. eta vs tors. theta energy: -182.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2284.578392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.578392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.578392 (E_RNA) where: Base-Base interactions energy: -1549.555 where: short stacking energy: -686.467 Base-Backbone interact. energy: -2.115 local terms energy: -732.907674 where: bonds (distance) C4'-P energy: -143.403 bonds (distance) P-C4' energy: -136.821 flat angles C4'-P-C4' energy: -154.653 flat angles P-C4'-P energy: -99.005 tors. eta vs tors. theta energy: -199.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2142.854907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.854907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.854907 (E_RNA) where: Base-Base interactions energy: -1498.213 where: short stacking energy: -627.758 Base-Backbone interact. energy: -2.498 local terms energy: -642.144400 where: bonds (distance) C4'-P energy: -124.129 bonds (distance) P-C4' energy: -143.920 flat angles C4'-P-C4' energy: -145.378 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -150.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1940.243985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.243985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.243985 (E_RNA) where: Base-Base interactions energy: -1266.423 where: short stacking energy: -576.641 Base-Backbone interact. energy: 1.876 local terms energy: -675.697298 where: bonds (distance) C4'-P energy: -128.275 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -150.392 flat angles P-C4'-P energy: -97.293 tors. eta vs tors. theta energy: -148.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1811.800225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.800225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.800225 (E_RNA) where: Base-Base interactions energy: -1174.587 where: short stacking energy: -530.234 Base-Backbone interact. energy: -1.080 local terms energy: -636.133121 where: bonds (distance) C4'-P energy: -142.839 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -130.456 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -128.039 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: 268 Temperature: 1.250000 Total energy: -1492.602429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.602429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.602429 (E_RNA) where: Base-Base interactions energy: -943.893 where: short stacking energy: -422.211 Base-Backbone interact. energy: 3.826 local terms energy: -552.535386 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -129.244 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -81.138 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: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -819.008045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.008045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.008045 (E_RNA) where: Base-Base interactions energy: -395.304 where: short stacking energy: -240.746 Base-Backbone interact. energy: 1.419 local terms energy: -425.122481 where: bonds (distance) C4'-P energy: -125.984 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -118.553 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -0.318 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: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -762.488082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.488082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.488082 (E_RNA) where: Base-Base interactions energy: -341.621 where: short stacking energy: -209.429 Base-Backbone interact. energy: -1.904 local terms energy: -418.963036 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -113.231 flat angles C4'-P-C4' energy: -118.689 flat angles P-C4'-P energy: -66.074 tors. eta vs tors. theta energy: -11.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2703.122923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.122923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.122923 (E_RNA) where: Base-Base interactions energy: -1888.310 where: short stacking energy: -749.452 Base-Backbone interact. energy: -7.217 local terms energy: -807.595245 where: bonds (distance) C4'-P energy: -161.052 bonds (distance) P-C4' energy: -151.529 flat angles C4'-P-C4' energy: -183.859 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -210.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2599.242255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.242255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.242255 (E_RNA) where: Base-Base interactions energy: -1779.347 where: short stacking energy: -799.222 Base-Backbone interact. energy: -2.427 local terms energy: -817.468073 where: bonds (distance) C4'-P energy: -155.925 bonds (distance) P-C4' energy: -157.843 flat angles C4'-P-C4' energy: -165.924 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -234.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2450.077312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.077312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.077312 (E_RNA) where: Base-Base interactions energy: -1687.955 where: short stacking energy: -696.816 Base-Backbone interact. energy: 2.060 local terms energy: -764.182147 where: bonds (distance) C4'-P energy: -143.202 bonds (distance) P-C4' energy: -154.796 flat angles C4'-P-C4' energy: -164.785 flat angles P-C4'-P energy: -97.880 tors. eta vs tors. theta energy: -203.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2258.379090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.379090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.379090 (E_RNA) where: Base-Base interactions energy: -1515.344 where: short stacking energy: -691.253 Base-Backbone interact. energy: 3.297 local terms energy: -746.332052 where: bonds (distance) C4'-P energy: -143.304 bonds (distance) P-C4' energy: -137.834 flat angles C4'-P-C4' energy: -164.393 flat angles P-C4'-P energy: -103.352 tors. eta vs tors. theta energy: -197.448 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2167.190962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.190962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.190962 (E_RNA) where: Base-Base interactions energy: -1445.389 where: short stacking energy: -614.269 Base-Backbone interact. energy: -2.659 local terms energy: -719.143620 where: bonds (distance) C4'-P energy: -130.870 bonds (distance) P-C4' energy: -166.075 flat angles C4'-P-C4' energy: -155.731 flat angles P-C4'-P energy: -102.870 tors. eta vs tors. theta energy: -163.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1904.766554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.766554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.766554 (E_RNA) where: Base-Base interactions energy: -1252.147 where: short stacking energy: -589.450 Base-Backbone interact. energy: -3.144 local terms energy: -649.475609 where: bonds (distance) C4'-P energy: -119.014 bonds (distance) P-C4' energy: -137.503 flat angles C4'-P-C4' energy: -139.799 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -143.267 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: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1832.600279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.600279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.600279 (E_RNA) where: Base-Base interactions energy: -1198.489 where: short stacking energy: -555.614 Base-Backbone interact. energy: 0.729 local terms energy: -634.840855 where: bonds (distance) C4'-P energy: -128.489 bonds (distance) P-C4' energy: -130.747 flat angles C4'-P-C4' energy: -140.775 flat angles P-C4'-P energy: -96.605 tors. eta vs tors. theta energy: -138.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1521.214560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.214560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.214560 (E_RNA) where: Base-Base interactions energy: -944.308 where: short stacking energy: -447.538 Base-Backbone interact. energy: -3.957 local terms energy: -572.948880 where: bonds (distance) C4'-P energy: -124.536 bonds (distance) P-C4' energy: -128.958 flat angles C4'-P-C4' energy: -135.895 flat angles P-C4'-P energy: -99.885 tors. eta vs tors. theta energy: -83.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -775.650129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.650129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.650129 (E_RNA) where: Base-Base interactions energy: -346.422 where: short stacking energy: -225.484 Base-Backbone interact. energy: 3.960 local terms energy: -433.187401 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -143.030 flat angles C4'-P-C4' energy: -104.498 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -691.186907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.186907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.186907 (E_RNA) where: Base-Base interactions energy: -305.831 where: short stacking energy: -200.520 Base-Backbone interact. energy: 1.310 local terms energy: -386.665931 where: bonds (distance) C4'-P energy: -136.313 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -61.828 tors. eta vs tors. theta energy: 9.955 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: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2711.611586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.611586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.611586 (E_RNA) where: Base-Base interactions energy: -1914.826 where: short stacking energy: -769.713 Base-Backbone interact. energy: -5.814 local terms energy: -790.972069 where: bonds (distance) C4'-P energy: -138.435 bonds (distance) P-C4' energy: -136.497 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -122.883 tors. eta vs tors. theta energy: -211.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2629.530283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.530283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.530283 (E_RNA) where: Base-Base interactions energy: -1788.420 where: short stacking energy: -796.059 Base-Backbone interact. energy: -5.360 local terms energy: -835.750427 where: bonds (distance) C4'-P energy: -154.847 bonds (distance) P-C4' energy: -158.722 flat angles C4'-P-C4' energy: -171.024 flat angles P-C4'-P energy: -104.881 tors. eta vs tors. theta energy: -246.277 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: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2484.147426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.147426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.147426 (E_RNA) where: Base-Base interactions energy: -1737.775 where: short stacking energy: -720.905 Base-Backbone interact. energy: -5.794 local terms energy: -740.578746 where: bonds (distance) C4'-P energy: -146.920 bonds (distance) P-C4' energy: -138.346 flat angles C4'-P-C4' energy: -158.949 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -195.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2296.198435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.198435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.198435 (E_RNA) where: Base-Base interactions energy: -1529.661 where: short stacking energy: -677.630 Base-Backbone interact. energy: 2.077 local terms energy: -768.614572 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -158.720 flat angles C4'-P-C4' energy: -168.613 flat angles P-C4'-P energy: -112.430 tors. eta vs tors. theta energy: -193.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2191.744339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.744339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.744339 (E_RNA) where: Base-Base interactions energy: -1510.873 where: short stacking energy: -627.076 Base-Backbone interact. energy: -1.106 local terms energy: -679.764812 where: bonds (distance) C4'-P energy: -132.162 bonds (distance) P-C4' energy: -136.749 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -107.274 tors. eta vs tors. theta energy: -170.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1875.387831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.387831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.387831 (E_RNA) where: Base-Base interactions energy: -1229.527 where: short stacking energy: -548.316 Base-Backbone interact. energy: -3.994 local terms energy: -641.866739 where: bonds (distance) C4'-P energy: -136.836 bonds (distance) P-C4' energy: -141.343 flat angles C4'-P-C4' energy: -139.548 flat angles P-C4'-P energy: -88.863 tors. eta vs tors. theta energy: -135.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2009.324707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.324707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.324707 (E_RNA) where: Base-Base interactions energy: -1356.469 where: short stacking energy: -579.838 Base-Backbone interact. energy: -1.805 local terms energy: -651.051032 where: bonds (distance) C4'-P energy: -127.561 bonds (distance) P-C4' energy: -129.516 flat angles C4'-P-C4' energy: -135.026 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -151.835 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: 270 Temperature: 1.250000 Total energy: -1535.332063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.332063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.332063 (E_RNA) where: Base-Base interactions energy: -978.160 where: short stacking energy: -445.472 Base-Backbone interact. energy: 0.117 local terms energy: -557.288431 where: bonds (distance) C4'-P energy: -127.962 bonds (distance) P-C4' energy: -128.807 flat angles C4'-P-C4' energy: -119.941 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -90.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -768.455127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.455127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.455127 (E_RNA) where: Base-Base interactions energy: -360.163 where: short stacking energy: -238.612 Base-Backbone interact. energy: 2.925 local terms energy: -411.216914 where: bonds (distance) C4'-P energy: -131.591 bonds (distance) P-C4' energy: -119.035 flat angles C4'-P-C4' energy: -90.674 flat angles P-C4'-P energy: -74.661 tors. eta vs tors. theta energy: 4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -759.397692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.397692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.397692 (E_RNA) where: Base-Base interactions energy: -338.032 where: short stacking energy: -224.200 Base-Backbone interact. energy: 4.616 local terms energy: -425.981336 where: bonds (distance) C4'-P energy: -103.856 bonds (distance) P-C4' energy: -142.487 flat angles C4'-P-C4' energy: -110.303 flat angles P-C4'-P energy: -71.810 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2701.736713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.736713 (E_RNA) where: Base-Base interactions energy: -1869.683 where: short stacking energy: -748.600 Base-Backbone interact. energy: -8.502 local terms energy: -823.551774 where: bonds (distance) C4'-P energy: -155.897 bonds (distance) P-C4' energy: -160.412 flat angles C4'-P-C4' energy: -180.592 flat angles P-C4'-P energy: -121.777 tors. eta vs tors. theta energy: -204.874 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: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2599.222574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.222574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.222574 (E_RNA) where: Base-Base interactions energy: -1786.186 where: short stacking energy: -772.809 Base-Backbone interact. energy: -6.103 local terms energy: -806.933557 where: bonds (distance) C4'-P energy: -152.765 bonds (distance) P-C4' energy: -142.285 flat angles C4'-P-C4' energy: -173.582 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -234.907 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: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2515.684850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.684850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.684850 (E_RNA) where: Base-Base interactions energy: -1746.631 where: short stacking energy: -715.346 Base-Backbone interact. energy: -4.471 local terms energy: -764.583241 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -158.877 flat angles C4'-P-C4' energy: -157.985 flat angles P-C4'-P energy: -112.784 tors. eta vs tors. theta energy: -205.225 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: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2294.321910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.321910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.321910 (E_RNA) where: Base-Base interactions energy: -1526.081 where: short stacking energy: -660.531 Base-Backbone interact. energy: -3.008 local terms energy: -765.233301 where: bonds (distance) C4'-P energy: -146.122 bonds (distance) P-C4' energy: -158.532 flat angles C4'-P-C4' energy: -156.957 flat angles P-C4'-P energy: -111.274 tors. eta vs tors. theta energy: -192.348 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: 271 Temperature: 1.100000 Total energy: -2224.108025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.108025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.108025 (E_RNA) where: Base-Base interactions energy: -1542.614 where: short stacking energy: -635.999 Base-Backbone interact. energy: 0.097 local terms energy: -681.591452 where: bonds (distance) C4'-P energy: -124.264 bonds (distance) P-C4' energy: -147.619 flat angles C4'-P-C4' energy: -149.289 flat angles P-C4'-P energy: -109.540 tors. eta vs tors. theta energy: -150.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2033.825342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.825342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.825342 (E_RNA) where: Base-Base interactions energy: -1352.085 where: short stacking energy: -603.793 Base-Backbone interact. energy: -3.300 local terms energy: -678.440210 where: bonds (distance) C4'-P energy: -128.596 bonds (distance) P-C4' energy: -130.347 flat angles C4'-P-C4' energy: -163.287 flat angles P-C4'-P energy: -95.037 tors. eta vs tors. theta energy: -161.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1743.816132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.816132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.816132 (E_RNA) where: Base-Base interactions energy: -1168.447 where: short stacking energy: -514.508 Base-Backbone interact. energy: -0.610 local terms energy: -574.759156 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -127.469 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -106.764 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: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1461.384872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.384872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.384872 (E_RNA) where: Base-Base interactions energy: -905.234 where: short stacking energy: -428.702 Base-Backbone interact. energy: -2.151 local terms energy: -554.000156 where: bonds (distance) C4'-P energy: -119.363 bonds (distance) P-C4' energy: -146.360 flat angles C4'-P-C4' energy: -131.271 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: -84.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -786.869342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.869342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.869342 (E_RNA) where: Base-Base interactions energy: -367.501 where: short stacking energy: -242.576 Base-Backbone interact. energy: 2.702 local terms energy: -422.070436 where: bonds (distance) C4'-P energy: -127.958 bonds (distance) P-C4' energy: -135.848 flat angles C4'-P-C4' energy: -127.446 flat angles P-C4'-P energy: -45.911 tors. eta vs tors. theta energy: 15.093 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: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -720.935779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.935779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.935779 (E_RNA) where: Base-Base interactions energy: -301.344 where: short stacking energy: -183.420 Base-Backbone interact. energy: -1.372 local terms energy: -418.219277 where: bonds (distance) C4'-P energy: -108.170 bonds (distance) P-C4' energy: -142.601 flat angles C4'-P-C4' energy: -111.368 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: 15.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2688.282755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.282755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.282755 (E_RNA) where: Base-Base interactions energy: -1907.452 where: short stacking energy: -741.490 Base-Backbone interact. energy: 0.413 local terms energy: -781.244324 where: bonds (distance) C4'-P energy: -136.644 bonds (distance) P-C4' energy: -145.746 flat angles C4'-P-C4' energy: -180.388 flat angles P-C4'-P energy: -114.457 tors. eta vs tors. theta energy: -204.010 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: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2643.664484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.664484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.664484 (E_RNA) where: Base-Base interactions energy: -1802.549 where: short stacking energy: -810.436 Base-Backbone interact. energy: -2.104 local terms energy: -839.011963 where: bonds (distance) C4'-P energy: -156.046 bonds (distance) P-C4' energy: -167.957 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -120.492 tors. eta vs tors. theta energy: -224.698 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: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2518.616051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.616051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.616051 (E_RNA) where: Base-Base interactions energy: -1750.586 where: short stacking energy: -703.567 Base-Backbone interact. energy: -6.890 local terms energy: -761.139872 where: bonds (distance) C4'-P energy: -143.740 bonds (distance) P-C4' energy: -146.699 flat angles C4'-P-C4' energy: -174.056 flat angles P-C4'-P energy: -106.186 tors. eta vs tors. theta energy: -190.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2367.371791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.371791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.371791 (E_RNA) where: Base-Base interactions energy: -1631.847 where: short stacking energy: -694.486 Base-Backbone interact. energy: -2.713 local terms energy: -732.811865 where: bonds (distance) C4'-P energy: -128.283 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -156.002 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -203.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2234.551386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.551386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.551386 (E_RNA) where: Base-Base interactions energy: -1551.967 where: short stacking energy: -654.142 Base-Backbone interact. energy: -1.302 local terms energy: -681.282492 where: bonds (distance) C4'-P energy: -121.364 bonds (distance) P-C4' energy: -147.424 flat angles C4'-P-C4' energy: -161.314 flat angles P-C4'-P energy: -87.150 tors. eta vs tors. theta energy: -164.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2059.475302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.475302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.475302 (E_RNA) where: Base-Base interactions energy: -1392.448 where: short stacking energy: -605.002 Base-Backbone interact. energy: -1.565 local terms energy: -665.461761 where: bonds (distance) C4'-P energy: -103.821 bonds (distance) P-C4' energy: -144.079 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -163.241 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: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1809.874102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.874102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.874102 (E_RNA) where: Base-Base interactions energy: -1159.689 where: short stacking energy: -514.588 Base-Backbone interact. energy: -2.708 local terms energy: -647.477557 where: bonds (distance) C4'-P energy: -139.681 bonds (distance) P-C4' energy: -142.878 flat angles C4'-P-C4' energy: -141.529 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -136.146 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: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1423.574947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.574947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.574947 (E_RNA) where: Base-Base interactions energy: -870.843 where: short stacking energy: -417.386 Base-Backbone interact. energy: -2.075 local terms energy: -550.657339 where: bonds (distance) C4'-P energy: -131.811 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -139.254 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -73.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -829.105465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.105465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.105465 (E_RNA) where: Base-Base interactions energy: -408.648 where: short stacking energy: -268.374 Base-Backbone interact. energy: -3.271 local terms energy: -417.186552 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: 1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -743.069726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.069726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.069726 (E_RNA) where: Base-Base interactions energy: -338.527 where: short stacking energy: -212.312 Base-Backbone interact. energy: 6.011 local terms energy: -410.553246 where: bonds (distance) C4'-P energy: -115.292 bonds (distance) P-C4' energy: -124.769 flat angles C4'-P-C4' energy: -116.088 flat angles P-C4'-P energy: -74.743 tors. eta vs tors. theta energy: 20.338 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: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2745.468412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.468412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.468412 (E_RNA) where: Base-Base interactions energy: -1949.824 where: short stacking energy: -760.401 Base-Backbone interact. energy: -3.876 local terms energy: -791.768458 where: bonds (distance) C4'-P energy: -148.523 bonds (distance) P-C4' energy: -159.204 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -100.956 tors. eta vs tors. theta energy: -200.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2619.979211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.979211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.979211 (E_RNA) where: Base-Base interactions energy: -1829.162 where: short stacking energy: -796.671 Base-Backbone interact. energy: -2.523 local terms energy: -788.294140 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -163.368 flat angles P-C4'-P energy: -102.722 tors. eta vs tors. theta energy: -237.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2481.509462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.509462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.509462 (E_RNA) where: Base-Base interactions energy: -1746.134 where: short stacking energy: -682.802 Base-Backbone interact. energy: -1.089 local terms energy: -734.286321 where: bonds (distance) C4'-P energy: -144.883 bonds (distance) P-C4' energy: -135.353 flat angles C4'-P-C4' energy: -164.420 flat angles P-C4'-P energy: -101.390 tors. eta vs tors. theta energy: -188.240 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: 273 Temperature: 1.050000 Total energy: -2429.647392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.647392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.647392 (E_RNA) where: Base-Base interactions energy: -1679.341 where: short stacking energy: -739.026 Base-Backbone interact. energy: -1.069 local terms energy: -749.237325 where: bonds (distance) C4'-P energy: -131.971 bonds (distance) P-C4' energy: -139.425 flat angles C4'-P-C4' energy: -166.805 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -204.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2207.251136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.251136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.251136 (E_RNA) where: Base-Base interactions energy: -1499.356 where: short stacking energy: -620.265 Base-Backbone interact. energy: 1.434 local terms energy: -709.328827 where: bonds (distance) C4'-P energy: -142.799 bonds (distance) P-C4' energy: -145.658 flat angles C4'-P-C4' energy: -160.823 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -168.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2059.647340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.647340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.647340 (E_RNA) where: Base-Base interactions energy: -1385.184 where: short stacking energy: -621.341 Base-Backbone interact. energy: 0.052 local terms energy: -674.515596 where: bonds (distance) C4'-P energy: -126.067 bonds (distance) P-C4' energy: -139.039 flat angles C4'-P-C4' energy: -144.753 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -169.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1830.996797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.996797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.996797 (E_RNA) where: Base-Base interactions energy: -1219.660 where: short stacking energy: -538.937 Base-Backbone interact. energy: -1.886 local terms energy: -609.450830 where: bonds (distance) C4'-P energy: -118.252 bonds (distance) P-C4' energy: -147.755 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -136.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1405.591581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.591581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.591581 (E_RNA) where: Base-Base interactions energy: -876.598 where: short stacking energy: -399.485 Base-Backbone interact. energy: -1.505 local terms energy: -527.488520 where: bonds (distance) C4'-P energy: -141.098 bonds (distance) P-C4' energy: -102.525 flat angles C4'-P-C4' energy: -125.095 flat angles P-C4'-P energy: -89.425 tors. eta vs tors. theta energy: -69.345 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: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -888.630789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.630789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.630789 (E_RNA) where: Base-Base interactions energy: -472.072 where: short stacking energy: -265.321 Base-Backbone interact. energy: -3.271 local terms energy: -413.287448 where: bonds (distance) C4'-P energy: -116.371 bonds (distance) P-C4' energy: -122.706 flat angles C4'-P-C4' energy: -112.070 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: -9.314 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: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -735.634484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.634484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.634484 (E_RNA) where: Base-Base interactions energy: -337.559 where: short stacking energy: -214.313 Base-Backbone interact. energy: 0.934 local terms energy: -399.009717 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -117.893 flat angles C4'-P-C4' energy: -105.073 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: 6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2721.163607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.163607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.163607 (E_RNA) where: Base-Base interactions energy: -1903.154 where: short stacking energy: -752.348 Base-Backbone interact. energy: -5.347 local terms energy: -812.662209 where: bonds (distance) C4'-P energy: -164.916 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -171.002 flat angles P-C4'-P energy: -115.469 tors. eta vs tors. theta energy: -208.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2627.939797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.939797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.939797 (E_RNA) where: Base-Base interactions energy: -1804.048 where: short stacking energy: -776.570 Base-Backbone interact. energy: -0.401 local terms energy: -823.491287 where: bonds (distance) C4'-P energy: -156.630 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -171.913 flat angles P-C4'-P energy: -110.024 tors. eta vs tors. theta energy: -232.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2512.933299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.933299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.933299 (E_RNA) where: Base-Base interactions energy: -1786.836 where: short stacking energy: -687.367 Base-Backbone interact. energy: -2.229 local terms energy: -723.867525 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -142.043 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -108.025 tors. eta vs tors. theta energy: -193.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2369.296741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.296741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.296741 (E_RNA) where: Base-Base interactions energy: -1598.392 where: short stacking energy: -683.735 Base-Backbone interact. energy: -5.969 local terms energy: -764.935559 where: bonds (distance) C4'-P energy: -148.586 bonds (distance) P-C4' energy: -163.883 flat angles C4'-P-C4' energy: -150.544 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -190.168 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: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2181.246845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.246845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.246845 (E_RNA) where: Base-Base interactions energy: -1494.587 where: short stacking energy: -610.663 Base-Backbone interact. energy: -2.972 local terms energy: -683.688352 where: bonds (distance) C4'-P energy: -137.501 bonds (distance) P-C4' energy: -145.383 flat angles C4'-P-C4' energy: -156.862 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -158.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2028.446882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.446882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.446882 (E_RNA) where: Base-Base interactions energy: -1372.530 where: short stacking energy: -592.967 Base-Backbone interact. energy: -0.005 local terms energy: -655.912067 where: bonds (distance) C4'-P energy: -123.028 bonds (distance) P-C4' energy: -129.151 flat angles C4'-P-C4' energy: -138.851 flat angles P-C4'-P energy: -103.134 tors. eta vs tors. theta energy: -161.748 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: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1784.290665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.290665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.290665 (E_RNA) where: Base-Base interactions energy: -1187.874 where: short stacking energy: -508.082 Base-Backbone interact. energy: -2.049 local terms energy: -594.367232 where: bonds (distance) C4'-P energy: -137.917 bonds (distance) P-C4' energy: -119.201 flat angles C4'-P-C4' energy: -125.563 flat angles P-C4'-P energy: -89.552 tors. eta vs tors. theta energy: -122.135 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: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1443.354085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.354085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.354085 (E_RNA) where: Base-Base interactions energy: -889.872 where: short stacking energy: -409.905 Base-Backbone interact. energy: 0.520 local terms energy: -554.002019 where: bonds (distance) C4'-P energy: -141.434 bonds (distance) P-C4' energy: -119.573 flat angles C4'-P-C4' energy: -133.394 flat angles P-C4'-P energy: -93.190 tors. eta vs tors. theta energy: -66.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -861.185924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.185924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.185924 (E_RNA) where: Base-Base interactions energy: -436.826 where: short stacking energy: -246.493 Base-Backbone interact. energy: -5.514 local terms energy: -418.845428 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -104.577 flat angles C4'-P-C4' energy: -117.665 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: -4.611 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: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -757.411989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.411989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.411989 (E_RNA) where: Base-Base interactions energy: -357.071 where: short stacking energy: -229.054 Base-Backbone interact. energy: 6.122 local terms energy: -406.463147 where: bonds (distance) C4'-P energy: -116.735 bonds (distance) P-C4' energy: -134.738 flat angles C4'-P-C4' energy: -106.033 flat angles P-C4'-P energy: -48.689 tors. eta vs tors. theta energy: -0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2746.435749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.435749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.435749 (E_RNA) where: Base-Base interactions energy: -1942.516 where: short stacking energy: -787.628 Base-Backbone interact. energy: -5.238 local terms energy: -798.681464 where: bonds (distance) C4'-P energy: -145.103 bonds (distance) P-C4' energy: -153.415 flat angles C4'-P-C4' energy: -179.650 flat angles P-C4'-P energy: -110.511 tors. eta vs tors. theta energy: -210.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2606.879712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.879712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.879712 (E_RNA) where: Base-Base interactions energy: -1786.179 where: short stacking energy: -789.167 Base-Backbone interact. energy: -2.320 local terms energy: -818.381069 where: bonds (distance) C4'-P energy: -134.717 bonds (distance) P-C4' energy: -144.707 flat angles C4'-P-C4' energy: -188.403 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -232.752 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: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2486.572679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.572679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.572679 (E_RNA) where: Base-Base interactions energy: -1763.201 where: short stacking energy: -720.055 Base-Backbone interact. energy: -7.781 local terms energy: -715.590248 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -140.373 flat angles C4'-P-C4' energy: -149.872 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -193.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2337.245875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.245875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.245875 (E_RNA) where: Base-Base interactions energy: -1596.798 where: short stacking energy: -689.692 Base-Backbone interact. energy: -5.484 local terms energy: -734.963625 where: bonds (distance) C4'-P energy: -135.612 bonds (distance) P-C4' energy: -151.024 flat angles C4'-P-C4' energy: -165.560 flat angles P-C4'-P energy: -95.420 tors. eta vs tors. theta energy: -187.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2133.789410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.789410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.789410 (E_RNA) where: Base-Base interactions energy: -1457.161 where: short stacking energy: -591.211 Base-Backbone interact. energy: 1.520 local terms energy: -678.148190 where: bonds (distance) C4'-P energy: -137.350 bonds (distance) P-C4' energy: -148.068 flat angles C4'-P-C4' energy: -153.596 flat angles P-C4'-P energy: -95.668 tors. eta vs tors. theta energy: -143.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1988.196235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.196235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.196235 (E_RNA) where: Base-Base interactions energy: -1310.003 where: short stacking energy: -601.335 Base-Backbone interact. energy: -0.242 local terms energy: -677.950930 where: bonds (distance) C4'-P energy: -144.203 bonds (distance) P-C4' energy: -125.782 flat angles C4'-P-C4' energy: -149.145 flat angles P-C4'-P energy: -105.969 tors. eta vs tors. theta energy: -152.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1764.121108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.121108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.121108 (E_RNA) where: Base-Base interactions energy: -1121.394 where: short stacking energy: -489.075 Base-Backbone interact. energy: 1.100 local terms energy: -643.826636 where: bonds (distance) C4'-P energy: -138.849 bonds (distance) P-C4' energy: -150.275 flat angles C4'-P-C4' energy: -150.079 flat angles P-C4'-P energy: -81.564 tors. eta vs tors. theta energy: -123.059 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: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1447.778094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.778094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.778094 (E_RNA) where: Base-Base interactions energy: -910.597 where: short stacking energy: -441.503 Base-Backbone interact. energy: -1.939 local terms energy: -535.241857 where: bonds (distance) C4'-P energy: -127.338 bonds (distance) P-C4' energy: -130.505 flat angles C4'-P-C4' energy: -113.326 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -90.011 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: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -871.074416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.074416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.074416 (E_RNA) where: Base-Base interactions energy: -411.340 where: short stacking energy: -263.586 Base-Backbone interact. energy: 1.753 local terms energy: -461.488004 where: bonds (distance) C4'-P energy: -118.354 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -131.452 flat angles P-C4'-P energy: -72.177 tors. eta vs tors. theta energy: -7.107 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: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -754.393073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.393073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.393073 (E_RNA) where: Base-Base interactions energy: -342.851 where: short stacking energy: -215.980 Base-Backbone interact. energy: 0.078 local terms energy: -411.620136 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -126.472 flat angles C4'-P-C4' energy: -114.444 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: 5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2700.708179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.708179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.708179 (E_RNA) where: Base-Base interactions energy: -1896.383 where: short stacking energy: -762.353 Base-Backbone interact. energy: -1.912 local terms energy: -802.413625 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -169.032 flat angles P-C4'-P energy: -116.073 tors. eta vs tors. theta energy: -207.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2599.735140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.735140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.735140 (E_RNA) where: Base-Base interactions energy: -1788.589 where: short stacking energy: -795.636 Base-Backbone interact. energy: -1.279 local terms energy: -809.866772 where: bonds (distance) C4'-P energy: -143.160 bonds (distance) P-C4' energy: -152.036 flat angles C4'-P-C4' energy: -175.953 flat angles P-C4'-P energy: -105.751 tors. eta vs tors. theta energy: -232.966 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2495.736143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.736143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.736143 (E_RNA) where: Base-Base interactions energy: -1733.681 where: short stacking energy: -703.791 Base-Backbone interact. energy: -8.311 local terms energy: -753.743873 where: bonds (distance) C4'-P energy: -132.276 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -155.803 flat angles P-C4'-P energy: -107.071 tors. eta vs tors. theta energy: -203.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2321.416802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.416802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.416802 (E_RNA) where: Base-Base interactions energy: -1574.406 where: short stacking energy: -646.350 Base-Backbone interact. energy: -4.776 local terms energy: -742.235255 where: bonds (distance) C4'-P energy: -148.549 bonds (distance) P-C4' energy: -155.452 flat angles C4'-P-C4' energy: -157.013 flat angles P-C4'-P energy: -103.399 tors. eta vs tors. theta energy: -177.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2043.679349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.679349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.679349 (E_RNA) where: Base-Base interactions energy: -1415.706 where: short stacking energy: -591.604 Base-Backbone interact. energy: 1.718 local terms energy: -629.690973 where: bonds (distance) C4'-P energy: -139.624 bonds (distance) P-C4' energy: -113.292 flat angles C4'-P-C4' energy: -134.643 flat angles P-C4'-P energy: -98.525 tors. eta vs tors. theta energy: -143.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2026.214277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.214277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.214277 (E_RNA) where: Base-Base interactions energy: -1364.194 where: short stacking energy: -613.558 Base-Backbone interact. energy: -0.117 local terms energy: -661.903717 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -137.996 flat angles C4'-P-C4' energy: -148.931 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: -160.507 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: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1813.943956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.943956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.943956 (E_RNA) where: Base-Base interactions energy: -1185.802 where: short stacking energy: -536.571 Base-Backbone interact. energy: -1.225 local terms energy: -626.917393 where: bonds (distance) C4'-P energy: -136.133 bonds (distance) P-C4' energy: -122.730 flat angles C4'-P-C4' energy: -148.159 flat angles P-C4'-P energy: -85.536 tors. eta vs tors. theta energy: -134.359 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: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1449.256760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.256760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.256760 (E_RNA) where: Base-Base interactions energy: -887.140 where: short stacking energy: -402.294 Base-Backbone interact. energy: 0.464 local terms energy: -562.581386 where: bonds (distance) C4'-P energy: -145.578 bonds (distance) P-C4' energy: -140.925 flat angles C4'-P-C4' energy: -123.610 flat angles P-C4'-P energy: -81.138 tors. eta vs tors. theta energy: -71.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -897.057345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.057345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.057345 (E_RNA) where: Base-Base interactions energy: -455.536 where: short stacking energy: -260.877 Base-Backbone interact. energy: 5.373 local terms energy: -446.894514 where: bonds (distance) C4'-P energy: -116.687 bonds (distance) P-C4' energy: -130.397 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -83.708 tors. eta vs tors. theta energy: -8.054 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: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -746.453466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.453466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.453466 (E_RNA) where: Base-Base interactions energy: -361.781 where: short stacking energy: -232.150 Base-Backbone interact. energy: -2.085 local terms energy: -382.587114 where: bonds (distance) C4'-P energy: -115.552 bonds (distance) P-C4' energy: -132.812 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: 12.146 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: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2728.162559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.162559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.162559 (E_RNA) where: Base-Base interactions energy: -1938.199 where: short stacking energy: -791.183 Base-Backbone interact. energy: -2.437 local terms energy: -787.526118 where: bonds (distance) C4'-P energy: -148.724 bonds (distance) P-C4' energy: -147.565 flat angles C4'-P-C4' energy: -172.868 flat angles P-C4'-P energy: -108.857 tors. eta vs tors. theta energy: -209.511 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: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2620.360449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.360449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.360449 (E_RNA) where: Base-Base interactions energy: -1777.860 where: short stacking energy: -814.057 Base-Backbone interact. energy: -5.541 local terms energy: -836.959767 where: bonds (distance) C4'-P energy: -156.262 bonds (distance) P-C4' energy: -152.414 flat angles C4'-P-C4' energy: -172.551 flat angles P-C4'-P energy: -119.268 tors. eta vs tors. theta energy: -236.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2500.144052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.144052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.144052 (E_RNA) where: Base-Base interactions energy: -1768.923 where: short stacking energy: -691.718 Base-Backbone interact. energy: -5.493 local terms energy: -725.727581 where: bonds (distance) C4'-P energy: -146.219 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -152.402 flat angles P-C4'-P energy: -90.497 tors. eta vs tors. theta energy: -194.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2325.123911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.123911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.123911 (E_RNA) where: Base-Base interactions energy: -1596.936 where: short stacking energy: -675.765 Base-Backbone interact. energy: -2.131 local terms energy: -726.057386 where: bonds (distance) C4'-P energy: -126.865 bonds (distance) P-C4' energy: -148.444 flat angles C4'-P-C4' energy: -159.965 flat angles P-C4'-P energy: -97.481 tors. eta vs tors. theta energy: -193.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2088.823006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.823006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.823006 (E_RNA) where: Base-Base interactions energy: -1382.143 where: short stacking energy: -603.291 Base-Backbone interact. energy: -0.062 local terms energy: -706.618082 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -142.220 flat angles C4'-P-C4' energy: -159.056 flat angles P-C4'-P energy: -103.785 tors. eta vs tors. theta energy: -148.639 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2003.991471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.991471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.991471 (E_RNA) where: Base-Base interactions energy: -1360.348 where: short stacking energy: -594.095 Base-Backbone interact. energy: -0.769 local terms energy: -642.874744 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -134.465 flat angles C4'-P-C4' energy: -127.820 flat angles P-C4'-P energy: -110.874 tors. eta vs tors. theta energy: -154.808 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: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1785.064518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.064518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.064518 (E_RNA) where: Base-Base interactions energy: -1186.612 where: short stacking energy: -499.618 Base-Backbone interact. energy: -2.142 local terms energy: -596.310924 where: bonds (distance) C4'-P energy: -119.498 bonds (distance) P-C4' energy: -132.187 flat angles C4'-P-C4' energy: -134.075 flat angles P-C4'-P energy: -80.038 tors. eta vs tors. theta energy: -130.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1498.239531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.239531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.239531 (E_RNA) where: Base-Base interactions energy: -941.882 where: short stacking energy: -441.882 Base-Backbone interact. energy: -2.751 local terms energy: -553.606643 where: bonds (distance) C4'-P energy: -112.259 bonds (distance) P-C4' energy: -132.474 flat angles C4'-P-C4' energy: -137.124 flat angles P-C4'-P energy: -87.928 tors. eta vs tors. theta energy: -83.822 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: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -844.330239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.330239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.330239 (E_RNA) where: Base-Base interactions energy: -413.951 where: short stacking energy: -233.995 Base-Backbone interact. energy: -0.646 local terms energy: -429.732582 where: bonds (distance) C4'-P energy: -113.345 bonds (distance) P-C4' energy: -122.876 flat angles C4'-P-C4' energy: -113.473 flat angles P-C4'-P energy: -73.490 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -694.433848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.433848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.433848 (E_RNA) where: Base-Base interactions energy: -290.816 where: short stacking energy: -190.295 Base-Backbone interact. energy: 9.897 local terms energy: -413.514837 where: bonds (distance) C4'-P energy: -105.868 bonds (distance) P-C4' energy: -125.952 flat angles C4'-P-C4' energy: -112.842 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: 8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2709.574975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.574975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.574975 (E_RNA) where: Base-Base interactions energy: -1926.497 where: short stacking energy: -754.956 Base-Backbone interact. energy: -4.193 local terms energy: -778.884889 where: bonds (distance) C4'-P energy: -143.807 bonds (distance) P-C4' energy: -153.321 flat angles C4'-P-C4' energy: -161.421 flat angles P-C4'-P energy: -110.471 tors. eta vs tors. theta energy: -209.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2636.164729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.164729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.164729 (E_RNA) where: Base-Base interactions energy: -1811.706 where: short stacking energy: -798.876 Base-Backbone interact. energy: -2.146 local terms energy: -822.312510 where: bonds (distance) C4'-P energy: -138.056 bonds (distance) P-C4' energy: -147.139 flat angles C4'-P-C4' energy: -178.282 flat angles P-C4'-P energy: -114.135 tors. eta vs tors. theta energy: -244.700 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2474.582194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.582194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.582194 (E_RNA) where: Base-Base interactions energy: -1745.674 where: short stacking energy: -688.146 Base-Backbone interact. energy: -3.516 local terms energy: -725.392254 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -127.874 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -187.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2314.693973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.693973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.693973 (E_RNA) where: Base-Base interactions energy: -1579.335 where: short stacking energy: -697.553 Base-Backbone interact. energy: -2.748 local terms energy: -732.610837 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -154.340 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -199.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2086.983768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.983768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.983768 (E_RNA) where: Base-Base interactions energy: -1423.908 where: short stacking energy: -548.578 Base-Backbone interact. energy: -4.122 local terms energy: -658.953432 where: bonds (distance) C4'-P energy: -145.799 bonds (distance) P-C4' energy: -151.375 flat angles C4'-P-C4' energy: -130.467 flat angles P-C4'-P energy: -95.529 tors. eta vs tors. theta energy: -135.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2081.664483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.664483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.664483 (E_RNA) where: Base-Base interactions energy: -1401.961 where: short stacking energy: -608.537 Base-Backbone interact. energy: -0.438 local terms energy: -679.264790 where: bonds (distance) C4'-P energy: -132.865 bonds (distance) P-C4' energy: -148.016 flat angles C4'-P-C4' energy: -155.346 flat angles P-C4'-P energy: -86.143 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1763.762335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.762335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.762335 (E_RNA) where: Base-Base interactions energy: -1142.291 where: short stacking energy: -508.702 Base-Backbone interact. energy: 0.974 local terms energy: -622.445165 where: bonds (distance) C4'-P energy: -140.165 bonds (distance) P-C4' energy: -147.584 flat angles C4'-P-C4' energy: -118.308 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -128.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1437.769563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.769563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.769563 (E_RNA) where: Base-Base interactions energy: -887.322 where: short stacking energy: -417.397 Base-Backbone interact. energy: 3.495 local terms energy: -553.941996 where: bonds (distance) C4'-P energy: -140.518 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -138.747 flat angles P-C4'-P energy: -83.799 tors. eta vs tors. theta energy: -77.723 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: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -804.298933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.298933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.298933 (E_RNA) where: Base-Base interactions energy: -410.163 where: short stacking energy: -245.126 Base-Backbone interact. energy: -1.075 local terms energy: -393.060813 where: bonds (distance) C4'-P energy: -128.753 bonds (distance) P-C4' energy: -107.936 flat angles C4'-P-C4' energy: -114.839 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: 1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -863.435925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.435925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.435925 (E_RNA) where: Base-Base interactions energy: -454.232 where: short stacking energy: -268.825 Base-Backbone interact. energy: 4.245 local terms energy: -413.448520 where: bonds (distance) C4'-P energy: -134.821 bonds (distance) P-C4' energy: -122.843 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -68.304 tors. eta vs tors. theta energy: 9.683 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: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2709.358558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.358558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.358558 (E_RNA) where: Base-Base interactions energy: -1917.543 where: short stacking energy: -757.818 Base-Backbone interact. energy: -2.476 local terms energy: -789.339715 where: bonds (distance) C4'-P energy: -139.591 bonds (distance) P-C4' energy: -153.149 flat angles C4'-P-C4' energy: -170.412 flat angles P-C4'-P energy: -114.431 tors. eta vs tors. theta energy: -211.757 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: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2609.012733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.012733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.012733 (E_RNA) where: Base-Base interactions energy: -1783.131 where: short stacking energy: -784.660 Base-Backbone interact. energy: -1.080 local terms energy: -824.801838 where: bonds (distance) C4'-P energy: -152.134 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -166.232 flat angles P-C4'-P energy: -108.847 tors. eta vs tors. theta energy: -242.831 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: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2440.049690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.049690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.049690 (E_RNA) where: Base-Base interactions energy: -1724.513 where: short stacking energy: -689.599 Base-Backbone interact. energy: -3.254 local terms energy: -712.282925 where: bonds (distance) C4'-P energy: -137.764 bonds (distance) P-C4' energy: -138.251 flat angles C4'-P-C4' energy: -161.469 flat angles P-C4'-P energy: -98.092 tors. eta vs tors. theta energy: -176.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2308.583125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.583125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.583125 (E_RNA) where: Base-Base interactions energy: -1542.608 where: short stacking energy: -704.175 Base-Backbone interact. energy: -3.924 local terms energy: -762.050595 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -155.133 flat angles C4'-P-C4' energy: -163.329 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -197.260 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: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2126.505018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.505018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.505018 (E_RNA) where: Base-Base interactions energy: -1439.096 where: short stacking energy: -609.513 Base-Backbone interact. energy: -2.780 local terms energy: -684.628942 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -156.677 flat angles P-C4'-P energy: -96.676 tors. eta vs tors. theta energy: -135.569 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: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2095.992440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.992440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.992440 (E_RNA) where: Base-Base interactions energy: -1411.071 where: short stacking energy: -613.719 Base-Backbone interact. energy: -0.656 local terms energy: -684.265005 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -129.177 flat angles C4'-P-C4' energy: -159.708 flat angles P-C4'-P energy: -94.624 tors. eta vs tors. theta energy: -170.986 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: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1847.309269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.309269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.309269 (E_RNA) where: Base-Base interactions energy: -1276.715 where: short stacking energy: -539.867 Base-Backbone interact. energy: -3.339 local terms energy: -567.255197 where: bonds (distance) C4'-P energy: -120.376 bonds (distance) P-C4' energy: -120.570 flat angles C4'-P-C4' energy: -127.458 flat angles P-C4'-P energy: -80.988 tors. eta vs tors. theta energy: -117.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1401.381657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.381657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.381657 (E_RNA) where: Base-Base interactions energy: -854.807 where: short stacking energy: -432.801 Base-Backbone interact. energy: -2.346 local terms energy: -544.228479 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -112.966 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -84.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -901.353526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.353526 (E_RNA) where: Base-Base interactions energy: -460.043 where: short stacking energy: -289.777 Base-Backbone interact. energy: -1.425 local terms energy: -439.886324 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -140.754 flat angles C4'-P-C4' energy: -113.955 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -12.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -841.853012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.853012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.853012 (E_RNA) where: Base-Base interactions energy: -395.850 where: short stacking energy: -241.091 Base-Backbone interact. energy: 1.789 local terms energy: -447.792184 where: bonds (distance) C4'-P energy: -130.134 bonds (distance) P-C4' energy: -136.158 flat angles C4'-P-C4' energy: -113.790 flat angles P-C4'-P energy: -57.698 tors. eta vs tors. theta energy: -10.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2698.436724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.436724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.436724 (E_RNA) where: Base-Base interactions energy: -1895.651 where: short stacking energy: -758.081 Base-Backbone interact. energy: -5.228 local terms energy: -797.557708 where: bonds (distance) C4'-P energy: -146.549 bonds (distance) P-C4' energy: -152.985 flat angles C4'-P-C4' energy: -165.669 flat angles P-C4'-P energy: -116.491 tors. eta vs tors. theta energy: -215.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2622.529732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.529732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.529732 (E_RNA) where: Base-Base interactions energy: -1810.243 where: short stacking energy: -791.836 Base-Backbone interact. energy: -0.422 local terms energy: -811.864610 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -151.049 flat angles C4'-P-C4' energy: -168.751 flat angles P-C4'-P energy: -110.809 tors. eta vs tors. theta energy: -234.850 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: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2423.534234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.534234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.534234 (E_RNA) where: Base-Base interactions energy: -1668.932 where: short stacking energy: -671.924 Base-Backbone interact. energy: 1.209 local terms energy: -755.811584 where: bonds (distance) C4'-P energy: -143.096 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -164.216 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -197.574 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: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2332.498222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.498222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.498222 (E_RNA) where: Base-Base interactions energy: -1568.462 where: short stacking energy: -688.786 Base-Backbone interact. energy: -2.830 local terms energy: -761.206585 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -146.252 flat angles C4'-P-C4' energy: -156.949 flat angles P-C4'-P energy: -106.731 tors. eta vs tors. theta energy: -200.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2137.768955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.768955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.768955 (E_RNA) where: Base-Base interactions energy: -1459.228 where: short stacking energy: -598.354 Base-Backbone interact. energy: -3.142 local terms energy: -675.398706 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -134.082 flat angles C4'-P-C4' energy: -157.618 flat angles P-C4'-P energy: -104.993 tors. eta vs tors. theta energy: -150.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2103.090127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.090127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.090127 (E_RNA) where: Base-Base interactions energy: -1397.592 where: short stacking energy: -612.194 Base-Backbone interact. energy: -4.692 local terms energy: -700.805826 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -144.453 flat angles C4'-P-C4' energy: -161.101 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -165.743 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: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1851.053728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.053728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.053728 (E_RNA) where: Base-Base interactions energy: -1201.964 where: short stacking energy: -534.397 Base-Backbone interact. energy: 1.651 local terms energy: -650.741119 where: bonds (distance) C4'-P energy: -138.446 bonds (distance) P-C4' energy: -146.619 flat angles C4'-P-C4' energy: -141.603 flat angles P-C4'-P energy: -85.842 tors. eta vs tors. theta energy: -138.232 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: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1348.394416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.394416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.394416 (E_RNA) where: Base-Base interactions energy: -845.881 where: short stacking energy: -441.012 Base-Backbone interact. energy: -3.718 local terms energy: -498.795574 where: bonds (distance) C4'-P energy: -110.311 bonds (distance) P-C4' energy: -120.278 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: -77.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -897.189209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.189209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.189209 (E_RNA) where: Base-Base interactions energy: -446.811 where: short stacking energy: -262.243 Base-Backbone interact. energy: -1.828 local terms energy: -448.550502 where: bonds (distance) C4'-P energy: -117.123 bonds (distance) P-C4' energy: -140.860 flat angles C4'-P-C4' energy: -125.299 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -2.093 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: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -901.944723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.944723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.944723 (E_RNA) where: Base-Base interactions energy: -489.385 where: short stacking energy: -262.861 Base-Backbone interact. energy: 0.454 local terms energy: -413.013584 where: bonds (distance) C4'-P energy: -102.628 bonds (distance) P-C4' energy: -114.986 flat angles C4'-P-C4' energy: -98.899 flat angles P-C4'-P energy: -86.273 tors. eta vs tors. theta energy: -10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2701.703540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.703540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.703540 (E_RNA) where: Base-Base interactions energy: -1872.409 where: short stacking energy: -743.414 Base-Backbone interact. energy: -6.020 local terms energy: -823.274225 where: bonds (distance) C4'-P energy: -164.225 bonds (distance) P-C4' energy: -165.074 flat angles C4'-P-C4' energy: -178.255 flat angles P-C4'-P energy: -115.410 tors. eta vs tors. theta energy: -200.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2665.995870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.995870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.995870 (E_RNA) where: Base-Base interactions energy: -1830.027 where: short stacking energy: -794.910 Base-Backbone interact. energy: -2.676 local terms energy: -833.292497 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -154.193 flat angles C4'-P-C4' energy: -176.268 flat angles P-C4'-P energy: -118.843 tors. eta vs tors. theta energy: -232.780 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: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2436.552177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.552177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.552177 (E_RNA) where: Base-Base interactions energy: -1687.590 where: short stacking energy: -699.044 Base-Backbone interact. energy: -5.135 local terms energy: -743.826630 where: bonds (distance) C4'-P energy: -145.505 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -155.422 flat angles P-C4'-P energy: -106.314 tors. eta vs tors. theta energy: -189.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2370.634106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.634106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.634106 (E_RNA) where: Base-Base interactions energy: -1614.083 where: short stacking energy: -728.130 Base-Backbone interact. energy: -2.311 local terms energy: -754.240634 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -139.161 flat angles C4'-P-C4' energy: -157.486 flat angles P-C4'-P energy: -119.391 tors. eta vs tors. theta energy: -206.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2177.837197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.837197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.837197 (E_RNA) where: Base-Base interactions energy: -1481.925 where: short stacking energy: -605.146 Base-Backbone interact. energy: -0.234 local terms energy: -695.678479 where: bonds (distance) C4'-P energy: -144.110 bonds (distance) P-C4' energy: -145.327 flat angles C4'-P-C4' energy: -150.064 flat angles P-C4'-P energy: -98.171 tors. eta vs tors. theta energy: -158.005 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2101.614677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.614677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.614677 (E_RNA) where: Base-Base interactions energy: -1417.015 where: short stacking energy: -638.461 Base-Backbone interact. energy: 1.266 local terms energy: -685.865754 where: bonds (distance) C4'-P energy: -119.741 bonds (distance) P-C4' energy: -132.625 flat angles C4'-P-C4' energy: -159.229 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -182.825 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: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1909.042615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.042615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.042615 (E_RNA) where: Base-Base interactions energy: -1260.857 where: short stacking energy: -557.527 Base-Backbone interact. energy: -0.468 local terms energy: -647.717629 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -135.646 flat angles C4'-P-C4' energy: -159.030 flat angles P-C4'-P energy: -76.743 tors. eta vs tors. theta energy: -149.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1290.474238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.474238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.474238 (E_RNA) where: Base-Base interactions energy: -789.546 where: short stacking energy: -412.500 Base-Backbone interact. energy: -4.445 local terms energy: -496.482572 where: bonds (distance) C4'-P energy: -134.513 bonds (distance) P-C4' energy: -115.604 flat angles C4'-P-C4' energy: -121.746 flat angles P-C4'-P energy: -61.252 tors. eta vs tors. theta energy: -63.367 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -885.065427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.065427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.065427 (E_RNA) where: Base-Base interactions energy: -434.388 where: short stacking energy: -248.427 Base-Backbone interact. energy: 4.647 local terms energy: -455.324652 where: bonds (distance) C4'-P energy: -130.815 bonds (distance) P-C4' energy: -119.185 flat angles C4'-P-C4' energy: -137.448 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: 8.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -898.846605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.846605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.846605 (E_RNA) where: Base-Base interactions energy: -478.115 where: short stacking energy: -255.762 Base-Backbone interact. energy: -2.613 local terms energy: -418.118799 where: bonds (distance) C4'-P energy: -117.532 bonds (distance) P-C4' energy: -130.333 flat angles C4'-P-C4' energy: -84.140 flat angles P-C4'-P energy: -68.630 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2690.926827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.926827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.926827 (E_RNA) where: Base-Base interactions energy: -1837.601 where: short stacking energy: -811.212 Base-Backbone interact. energy: -4.121 local terms energy: -849.205042 where: bonds (distance) C4'-P energy: -155.162 bonds (distance) P-C4' energy: -146.824 flat angles C4'-P-C4' energy: -184.498 flat angles P-C4'-P energy: -120.453 tors. eta vs tors. theta energy: -242.268 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: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2615.804710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.804710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.804710 (E_RNA) where: Base-Base interactions energy: -1827.557 where: short stacking energy: -744.176 Base-Backbone interact. energy: -7.323 local terms energy: -780.925176 where: bonds (distance) C4'-P energy: -143.163 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -112.243 tors. eta vs tors. theta energy: -200.717 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: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2459.964845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.964845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.964845 (E_RNA) where: Base-Base interactions energy: -1715.391 where: short stacking energy: -706.205 Base-Backbone interact. energy: -4.861 local terms energy: -739.713241 where: bonds (distance) C4'-P energy: -151.986 bonds (distance) P-C4' energy: -155.584 flat angles C4'-P-C4' energy: -147.720 flat angles P-C4'-P energy: -90.351 tors. eta vs tors. theta energy: -194.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2358.336336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.336336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.336336 (E_RNA) where: Base-Base interactions energy: -1605.703 where: short stacking energy: -728.568 Base-Backbone interact. energy: -2.616 local terms energy: -750.016793 where: bonds (distance) C4'-P energy: -132.740 bonds (distance) P-C4' energy: -146.716 flat angles C4'-P-C4' energy: -154.616 flat angles P-C4'-P energy: -108.592 tors. eta vs tors. theta energy: -207.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2158.145886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.145886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.145886 (E_RNA) where: Base-Base interactions energy: -1510.694 where: short stacking energy: -622.030 Base-Backbone interact. energy: -3.581 local terms energy: -643.870754 where: bonds (distance) C4'-P energy: -129.283 bonds (distance) P-C4' energy: -113.527 flat angles C4'-P-C4' energy: -153.642 flat angles P-C4'-P energy: -94.986 tors. eta vs tors. theta energy: -152.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2100.718529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.718529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.718529 (E_RNA) where: Base-Base interactions energy: -1413.211 where: short stacking energy: -625.701 Base-Backbone interact. energy: -1.970 local terms energy: -685.537353 where: bonds (distance) C4'-P energy: -126.887 bonds (distance) P-C4' energy: -144.994 flat angles C4'-P-C4' energy: -153.282 flat angles P-C4'-P energy: -90.557 tors. eta vs tors. theta energy: -169.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1832.388057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.388057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.388057 (E_RNA) where: Base-Base interactions energy: -1249.666 where: short stacking energy: -562.514 Base-Backbone interact. energy: -1.823 local terms energy: -580.898519 where: bonds (distance) C4'-P energy: -102.298 bonds (distance) P-C4' energy: -115.615 flat angles C4'-P-C4' energy: -142.057 flat angles P-C4'-P energy: -72.203 tors. eta vs tors. theta energy: -148.725 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: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1296.074893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.074893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.074893 (E_RNA) where: Base-Base interactions energy: -822.868 where: short stacking energy: -380.885 Base-Backbone interact. energy: -3.712 local terms energy: -469.495065 where: bonds (distance) C4'-P energy: -118.571 bonds (distance) P-C4' energy: -121.650 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -55.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -820.350842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.350842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.350842 (E_RNA) where: Base-Base interactions energy: -406.650 where: short stacking energy: -249.730 Base-Backbone interact. energy: 5.124 local terms energy: -418.825036 where: bonds (distance) C4'-P energy: -132.088 bonds (distance) P-C4' energy: -112.373 flat angles C4'-P-C4' energy: -101.313 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -879.647756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.647756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.647756 (E_RNA) where: Base-Base interactions energy: -460.764 where: short stacking energy: -257.918 Base-Backbone interact. energy: -1.997 local terms energy: -416.886346 where: bonds (distance) C4'-P energy: -107.259 bonds (distance) P-C4' energy: -127.786 flat angles C4'-P-C4' energy: -105.884 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -5.336 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2706.650730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.650730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.650730 (E_RNA) where: Base-Base interactions energy: -1851.300 where: short stacking energy: -809.949 Base-Backbone interact. energy: -3.170 local terms energy: -852.181287 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -175.204 flat angles P-C4'-P energy: -125.811 tors. eta vs tors. theta energy: -242.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2666.067580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.067580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.067580 (E_RNA) where: Base-Base interactions energy: -1877.497 where: short stacking energy: -747.751 Base-Backbone interact. energy: 1.601 local terms energy: -790.171682 where: bonds (distance) C4'-P energy: -147.354 bonds (distance) P-C4' energy: -148.914 flat angles C4'-P-C4' energy: -174.253 flat angles P-C4'-P energy: -124.734 tors. eta vs tors. theta energy: -194.916 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: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2435.845176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.845176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.845176 (E_RNA) where: Base-Base interactions energy: -1671.961 where: short stacking energy: -688.137 Base-Backbone interact. energy: -2.570 local terms energy: -761.313746 where: bonds (distance) C4'-P energy: -136.259 bonds (distance) P-C4' energy: -142.259 flat angles C4'-P-C4' energy: -162.613 flat angles P-C4'-P energy: -125.110 tors. eta vs tors. theta energy: -195.072 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: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2363.342427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.342427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.342427 (E_RNA) where: Base-Base interactions energy: -1613.527 where: short stacking energy: -736.487 Base-Backbone interact. energy: -2.358 local terms energy: -747.457343 where: bonds (distance) C4'-P energy: -149.938 bonds (distance) P-C4' energy: -134.682 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -100.086 tors. eta vs tors. theta energy: -203.424 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: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2154.192495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.192495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.192495 (E_RNA) where: Base-Base interactions energy: -1489.031 where: short stacking energy: -624.495 Base-Backbone interact. energy: 0.186 local terms energy: -665.347395 where: bonds (distance) C4'-P energy: -129.338 bonds (distance) P-C4' energy: -136.086 flat angles C4'-P-C4' energy: -163.250 flat angles P-C4'-P energy: -98.303 tors. eta vs tors. theta energy: -138.371 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: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2124.516363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.516363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.516363 (E_RNA) where: Base-Base interactions energy: -1421.914 where: short stacking energy: -612.879 Base-Backbone interact. energy: -1.655 local terms energy: -700.947365 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -156.882 flat angles C4'-P-C4' energy: -150.909 flat angles P-C4'-P energy: -96.517 tors. eta vs tors. theta energy: -176.323 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: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1797.230588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.230588 (E_RNA) where: Base-Base interactions energy: -1186.996 where: short stacking energy: -537.518 Base-Backbone interact. energy: 8.052 local terms energy: -618.285960 where: bonds (distance) C4'-P energy: -140.345 bonds (distance) P-C4' energy: -121.221 flat angles C4'-P-C4' energy: -119.566 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -130.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1362.974039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.974039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.974039 (E_RNA) where: Base-Base interactions energy: -822.132 where: short stacking energy: -362.486 Base-Backbone interact. energy: -2.860 local terms energy: -537.982033 where: bonds (distance) C4'-P energy: -128.932 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -44.064 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: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -871.327483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.327483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.327483 (E_RNA) where: Base-Base interactions energy: -409.423 where: short stacking energy: -251.670 Base-Backbone interact. energy: 4.237 local terms energy: -466.140504 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -121.341 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -1.338 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: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -864.245362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.245362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.245362 (E_RNA) where: Base-Base interactions energy: -450.993 where: short stacking energy: -265.681 Base-Backbone interact. energy: -0.642 local terms energy: -412.610476 where: bonds (distance) C4'-P energy: -112.680 bonds (distance) P-C4' energy: -143.793 flat angles C4'-P-C4' energy: -97.358 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: 0.700 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: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2696.153235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.153235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.153235 (E_RNA) where: Base-Base interactions energy: -1828.301 where: short stacking energy: -824.138 Base-Backbone interact. energy: -3.124 local terms energy: -864.727755 where: bonds (distance) C4'-P energy: -158.485 bonds (distance) P-C4' energy: -153.704 flat angles C4'-P-C4' energy: -180.552 flat angles P-C4'-P energy: -123.789 tors. eta vs tors. theta energy: -248.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2632.852992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.852992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.852992 (E_RNA) where: Base-Base interactions energy: -1856.144 where: short stacking energy: -739.990 Base-Backbone interact. energy: -4.718 local terms energy: -771.991189 where: bonds (distance) C4'-P energy: -148.896 bonds (distance) P-C4' energy: -136.055 flat angles C4'-P-C4' energy: -173.751 flat angles P-C4'-P energy: -113.382 tors. eta vs tors. theta energy: -199.908 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: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2424.379983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.379983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.379983 (E_RNA) where: Base-Base interactions energy: -1681.598 where: short stacking energy: -702.277 Base-Backbone interact. energy: -1.905 local terms energy: -740.877141 where: bonds (distance) C4'-P energy: -147.956 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -168.354 flat angles P-C4'-P energy: -104.836 tors. eta vs tors. theta energy: -186.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2356.440950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.440950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.440950 (E_RNA) where: Base-Base interactions energy: -1611.166 where: short stacking energy: -711.385 Base-Backbone interact. energy: -6.698 local terms energy: -738.577058 where: bonds (distance) C4'-P energy: -128.584 bonds (distance) P-C4' energy: -127.409 flat angles C4'-P-C4' energy: -161.823 flat angles P-C4'-P energy: -110.204 tors. eta vs tors. theta energy: -210.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2163.273637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.273637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.273637 (E_RNA) where: Base-Base interactions energy: -1489.771 where: short stacking energy: -655.869 Base-Backbone interact. energy: -3.179 local terms energy: -670.323507 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -135.696 flat angles C4'-P-C4' energy: -154.935 flat angles P-C4'-P energy: -90.210 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: 284 Temperature: 1.150000 Total energy: -2047.848021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.848021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.848021 (E_RNA) where: Base-Base interactions energy: -1403.588 where: short stacking energy: -552.416 Base-Backbone interact. energy: -3.381 local terms energy: -640.879734 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -134.031 flat angles P-C4'-P energy: -111.503 tors. eta vs tors. theta energy: -131.706 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1798.455960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.455960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.455960 (E_RNA) where: Base-Base interactions energy: -1180.614 where: short stacking energy: -507.046 Base-Backbone interact. energy: 1.709 local terms energy: -619.551157 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -100.332 tors. eta vs tors. theta energy: -108.816 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: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1368.355408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.355408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.355408 (E_RNA) where: Base-Base interactions energy: -841.046 where: short stacking energy: -375.740 Base-Backbone interact. energy: -5.441 local terms energy: -521.868547 where: bonds (distance) C4'-P energy: -116.989 bonds (distance) P-C4' energy: -141.106 flat angles C4'-P-C4' energy: -137.691 flat angles P-C4'-P energy: -80.589 tors. eta vs tors. theta energy: -45.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -885.745944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.745944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.745944 (E_RNA) where: Base-Base interactions energy: -441.823 where: short stacking energy: -288.696 Base-Backbone interact. energy: 2.495 local terms energy: -446.417790 where: bonds (distance) C4'-P energy: -127.125 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -114.212 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -17.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -890.518363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.518363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.518363 (E_RNA) where: Base-Base interactions energy: -468.129 where: short stacking energy: -249.823 Base-Backbone interact. energy: 0.748 local terms energy: -423.137679 where: bonds (distance) C4'-P energy: -115.664 bonds (distance) P-C4' energy: -136.999 flat angles C4'-P-C4' energy: -109.606 flat angles P-C4'-P energy: -60.648 tors. eta vs tors. theta energy: -0.220 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: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2687.634125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.634125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.634125 (E_RNA) where: Base-Base interactions energy: -1833.466 where: short stacking energy: -812.665 Base-Backbone interact. energy: -1.301 local terms energy: -852.867524 where: bonds (distance) C4'-P energy: -155.730 bonds (distance) P-C4' energy: -154.373 flat angles C4'-P-C4' energy: -166.374 flat angles P-C4'-P energy: -137.472 tors. eta vs tors. theta energy: -238.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2645.422398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.422398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.422398 (E_RNA) where: Base-Base interactions energy: -1845.774 where: short stacking energy: -739.575 Base-Backbone interact. energy: -7.289 local terms energy: -792.359568 where: bonds (distance) C4'-P energy: -139.188 bonds (distance) P-C4' energy: -155.687 flat angles C4'-P-C4' energy: -179.577 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -210.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2469.996072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.996072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.996072 (E_RNA) where: Base-Base interactions energy: -1695.916 where: short stacking energy: -721.811 Base-Backbone interact. energy: -1.953 local terms energy: -772.127277 where: bonds (distance) C4'-P energy: -146.714 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -175.653 flat angles P-C4'-P energy: -108.638 tors. eta vs tors. theta energy: -198.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2289.933719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.933719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.933719 (E_RNA) where: Base-Base interactions energy: -1559.966 where: short stacking energy: -690.150 Base-Backbone interact. energy: -3.868 local terms energy: -726.099861 where: bonds (distance) C4'-P energy: -125.413 bonds (distance) P-C4' energy: -136.011 flat angles C4'-P-C4' energy: -167.908 flat angles P-C4'-P energy: -95.892 tors. eta vs tors. theta energy: -200.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2160.279060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.279060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.279060 (E_RNA) where: Base-Base interactions energy: -1475.792 where: short stacking energy: -656.132 Base-Backbone interact. energy: -1.844 local terms energy: -682.642959 where: bonds (distance) C4'-P energy: -123.680 bonds (distance) P-C4' energy: -123.426 flat angles C4'-P-C4' energy: -149.688 flat angles P-C4'-P energy: -100.914 tors. eta vs tors. theta energy: -184.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1996.643309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.643309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.643309 (E_RNA) where: Base-Base interactions energy: -1388.053 where: short stacking energy: -581.580 Base-Backbone interact. energy: 2.775 local terms energy: -611.365671 where: bonds (distance) C4'-P energy: -130.102 bonds (distance) P-C4' energy: -116.266 flat angles C4'-P-C4' energy: -152.986 flat angles P-C4'-P energy: -86.705 tors. eta vs tors. theta energy: -125.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1795.011538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.011538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.011538 (E_RNA) where: Base-Base interactions energy: -1211.796 where: short stacking energy: -543.655 Base-Backbone interact. energy: -1.842 local terms energy: -581.373320 where: bonds (distance) C4'-P energy: -108.949 bonds (distance) P-C4' energy: -129.029 flat angles C4'-P-C4' energy: -138.763 flat angles P-C4'-P energy: -82.215 tors. eta vs tors. theta energy: -122.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1385.600273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.600273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.600273 (E_RNA) where: Base-Base interactions energy: -842.384 where: short stacking energy: -363.638 Base-Backbone interact. energy: -2.074 local terms energy: -541.142551 where: bonds (distance) C4'-P energy: -121.879 bonds (distance) P-C4' energy: -142.465 flat angles C4'-P-C4' energy: -129.700 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -52.610 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: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -894.308860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.308860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.308860 (E_RNA) where: Base-Base interactions energy: -456.575 where: short stacking energy: -248.881 Base-Backbone interact. energy: -3.370 local terms energy: -434.363947 where: bonds (distance) C4'-P energy: -124.291 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -122.014 flat angles P-C4'-P energy: -73.021 tors. eta vs tors. theta energy: 0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -855.466497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.466497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.466497 (E_RNA) where: Base-Base interactions energy: -445.595 where: short stacking energy: -235.640 Base-Backbone interact. energy: 10.313 local terms energy: -420.184125 where: bonds (distance) C4'-P energy: -114.326 bonds (distance) P-C4' energy: -150.687 flat angles C4'-P-C4' energy: -94.067 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2660.542065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.542065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.542065 (E_RNA) where: Base-Base interactions energy: -1864.313 where: short stacking energy: -734.087 Base-Backbone interact. energy: -4.155 local terms energy: -792.073625 where: bonds (distance) C4'-P energy: -144.529 bonds (distance) P-C4' energy: -150.963 flat angles C4'-P-C4' energy: -172.265 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -208.807 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2620.872431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.872431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.872431 (E_RNA) where: Base-Base interactions energy: -1799.472 where: short stacking energy: -794.429 Base-Backbone interact. energy: -0.218 local terms energy: -821.182740 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -159.610 flat angles C4'-P-C4' energy: -167.787 flat angles P-C4'-P energy: -128.319 tors. eta vs tors. theta energy: -231.498 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: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2462.699478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.699478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.699478 (E_RNA) where: Base-Base interactions energy: -1714.518 where: short stacking energy: -715.842 Base-Backbone interact. energy: -2.791 local terms energy: -745.389756 where: bonds (distance) C4'-P energy: -150.759 bonds (distance) P-C4' energy: -151.114 flat angles C4'-P-C4' energy: -162.275 flat angles P-C4'-P energy: -98.641 tors. eta vs tors. theta energy: -182.600 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: 286 Temperature: 1.050000 Total energy: -2319.446581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.446581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.446581 (E_RNA) where: Base-Base interactions energy: -1575.164 where: short stacking energy: -715.630 Base-Backbone interact. energy: -1.955 local terms energy: -742.327574 where: bonds (distance) C4'-P energy: -151.373 bonds (distance) P-C4' energy: -149.821 flat angles C4'-P-C4' energy: -145.253 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -207.926 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: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2167.442295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.442295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.442295 (E_RNA) where: Base-Base interactions energy: -1438.448 where: short stacking energy: -623.908 Base-Backbone interact. energy: -0.918 local terms energy: -728.076808 where: bonds (distance) C4'-P energy: -144.592 bonds (distance) P-C4' energy: -143.202 flat angles C4'-P-C4' energy: -160.503 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -185.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2024.859206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.859206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.859206 (E_RNA) where: Base-Base interactions energy: -1335.239 where: short stacking energy: -577.148 Base-Backbone interact. energy: -1.582 local terms energy: -688.038073 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -151.568 flat angles C4'-P-C4' energy: -159.981 flat angles P-C4'-P energy: -109.641 tors. eta vs tors. theta energy: -152.126 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: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1776.209856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.209856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.209856 (E_RNA) where: Base-Base interactions energy: -1182.708 where: short stacking energy: -489.821 Base-Backbone interact. energy: -0.349 local terms energy: -593.153203 where: bonds (distance) C4'-P energy: -116.022 bonds (distance) P-C4' energy: -125.260 flat angles C4'-P-C4' energy: -147.207 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -117.954 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: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1386.940213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.940213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.940213 (E_RNA) where: Base-Base interactions energy: -851.286 where: short stacking energy: -413.988 Base-Backbone interact. energy: 2.269 local terms energy: -537.923607 where: bonds (distance) C4'-P energy: -114.360 bonds (distance) P-C4' energy: -141.799 flat angles C4'-P-C4' energy: -135.502 flat angles P-C4'-P energy: -89.772 tors. eta vs tors. theta energy: -56.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -882.085928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.085928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.085928 (E_RNA) where: Base-Base interactions energy: -432.999 where: short stacking energy: -246.395 Base-Backbone interact. energy: -0.123 local terms energy: -448.964005 where: bonds (distance) C4'-P energy: -118.994 bonds (distance) P-C4' energy: -121.277 flat angles C4'-P-C4' energy: -117.921 flat angles P-C4'-P energy: -77.875 tors. eta vs tors. theta energy: -12.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -863.965704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.965704 (E_RNA) where: Base-Base interactions energy: -429.045 where: short stacking energy: -250.221 Base-Backbone interact. energy: 2.805 local terms energy: -437.725488 where: bonds (distance) C4'-P energy: -136.353 bonds (distance) P-C4' energy: -123.371 flat angles C4'-P-C4' energy: -118.081 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: 6.912 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: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2668.715376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.715376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.715376 (E_RNA) where: Base-Base interactions energy: -1857.802 where: short stacking energy: -750.514 Base-Backbone interact. energy: -1.208 local terms energy: -809.705203 where: bonds (distance) C4'-P energy: -151.651 bonds (distance) P-C4' energy: -154.518 flat angles C4'-P-C4' energy: -181.112 flat angles P-C4'-P energy: -109.952 tors. eta vs tors. theta energy: -212.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2622.223071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.223071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.223071 (E_RNA) where: Base-Base interactions energy: -1796.805 where: short stacking energy: -790.507 Base-Backbone interact. energy: -4.176 local terms energy: -821.242892 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -170.575 flat angles P-C4'-P energy: -122.829 tors. eta vs tors. theta energy: -227.287 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: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2471.064451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.064451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.064451 (E_RNA) where: Base-Base interactions energy: -1682.666 where: short stacking energy: -678.288 Base-Backbone interact. energy: -4.333 local terms energy: -784.065908 where: bonds (distance) C4'-P energy: -143.775 bonds (distance) P-C4' energy: -167.240 flat angles C4'-P-C4' energy: -163.608 flat angles P-C4'-P energy: -110.073 tors. eta vs tors. theta energy: -199.370 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: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2345.954684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.954684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.954684 (E_RNA) where: Base-Base interactions energy: -1568.691 where: short stacking energy: -720.563 Base-Backbone interact. energy: -1.038 local terms energy: -776.226372 where: bonds (distance) C4'-P energy: -127.370 bonds (distance) P-C4' energy: -145.062 flat angles C4'-P-C4' energy: -163.666 flat angles P-C4'-P energy: -125.825 tors. eta vs tors. theta energy: -214.303 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: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2199.282268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.282268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.282268 (E_RNA) where: Base-Base interactions energy: -1469.761 where: short stacking energy: -656.841 Base-Backbone interact. energy: 2.260 local terms energy: -731.781223 where: bonds (distance) C4'-P energy: -139.342 bonds (distance) P-C4' energy: -144.921 flat angles C4'-P-C4' energy: -158.417 flat angles P-C4'-P energy: -102.176 tors. eta vs tors. theta energy: -186.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2009.453397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.453397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.453397 (E_RNA) where: Base-Base interactions energy: -1381.375 where: short stacking energy: -558.608 Base-Backbone interact. energy: -4.323 local terms energy: -623.755165 where: bonds (distance) C4'-P energy: -109.885 bonds (distance) P-C4' energy: -133.254 flat angles C4'-P-C4' energy: -150.501 flat angles P-C4'-P energy: -94.539 tors. eta vs tors. theta energy: -135.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1806.961528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.961528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.961528 (E_RNA) where: Base-Base interactions energy: -1203.457 where: short stacking energy: -522.134 Base-Backbone interact. energy: -0.653 local terms energy: -602.851898 where: bonds (distance) C4'-P energy: -117.360 bonds (distance) P-C4' energy: -137.867 flat angles C4'-P-C4' energy: -133.026 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -125.889 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: 287 Temperature: 1.250000 Total energy: -1391.535318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.535318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.535318 (E_RNA) where: Base-Base interactions energy: -883.829 where: short stacking energy: -398.597 Base-Backbone interact. energy: -4.104 local terms energy: -503.602929 where: bonds (distance) C4'-P energy: -123.901 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -118.179 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -59.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -974.868830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.868830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.868830 (E_RNA) where: Base-Base interactions energy: -503.280 where: short stacking energy: -264.932 Base-Backbone interact. energy: -6.083 local terms energy: -465.505597 where: bonds (distance) C4'-P energy: -132.646 bonds (distance) P-C4' energy: -124.693 flat angles C4'-P-C4' energy: -108.251 flat angles P-C4'-P energy: -69.275 tors. eta vs tors. theta energy: -30.641 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: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -804.154728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.154728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.154728 (E_RNA) where: Base-Base interactions energy: -402.169 where: short stacking energy: -219.926 Base-Backbone interact. energy: 2.840 local terms energy: -404.825844 where: bonds (distance) C4'-P energy: -109.231 bonds (distance) P-C4' energy: -121.747 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: 4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2700.895095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.895095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.895095 (E_RNA) where: Base-Base interactions energy: -1890.031 where: short stacking energy: -762.033 Base-Backbone interact. energy: -4.035 local terms energy: -806.829434 where: bonds (distance) C4'-P energy: -155.877 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -175.908 flat angles P-C4'-P energy: -120.812 tors. eta vs tors. theta energy: -206.823 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: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2589.166971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.166971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.166971 (E_RNA) where: Base-Base interactions energy: -1786.100 where: short stacking energy: -760.892 Base-Backbone interact. energy: -2.485 local terms energy: -800.581519 where: bonds (distance) C4'-P energy: -160.757 bonds (distance) P-C4' energy: -130.055 flat angles C4'-P-C4' energy: -167.345 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -224.574 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2463.241049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.241049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.241049 (E_RNA) where: Base-Base interactions energy: -1712.763 where: short stacking energy: -698.480 Base-Backbone interact. energy: -5.476 local terms energy: -745.002269 where: bonds (distance) C4'-P energy: -154.919 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -162.734 flat angles P-C4'-P energy: -92.124 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: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2306.668088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.668088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.668088 (E_RNA) where: Base-Base interactions energy: -1554.067 where: short stacking energy: -672.006 Base-Backbone interact. energy: -3.179 local terms energy: -749.421168 where: bonds (distance) C4'-P energy: -138.070 bonds (distance) P-C4' energy: -130.019 flat angles C4'-P-C4' energy: -166.402 flat angles P-C4'-P energy: -111.949 tors. eta vs tors. theta energy: -202.982 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: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2207.857095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.857095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.857095 (E_RNA) where: Base-Base interactions energy: -1499.065 where: short stacking energy: -653.496 Base-Backbone interact. energy: 2.533 local terms energy: -711.325147 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -134.350 flat angles C4'-P-C4' energy: -164.933 flat angles P-C4'-P energy: -100.717 tors. eta vs tors. theta energy: -172.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1955.583734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.583734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.583734 (E_RNA) where: Base-Base interactions energy: -1350.046 where: short stacking energy: -558.983 Base-Backbone interact. energy: -0.860 local terms energy: -604.677575 where: bonds (distance) C4'-P energy: -112.598 bonds (distance) P-C4' energy: -124.725 flat angles C4'-P-C4' energy: -129.220 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -143.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1803.677094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.677094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.677094 (E_RNA) where: Base-Base interactions energy: -1203.019 where: short stacking energy: -556.680 Base-Backbone interact. energy: 4.896 local terms energy: -605.554541 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -137.811 flat angles P-C4'-P energy: -95.188 tors. eta vs tors. theta energy: -126.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1404.503451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.503451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.503451 (E_RNA) where: Base-Base interactions energy: -858.111 where: short stacking energy: -410.692 Base-Backbone interact. energy: -1.353 local terms energy: -545.040111 where: bonds (distance) C4'-P energy: -134.076 bonds (distance) P-C4' energy: -121.310 flat angles C4'-P-C4' energy: -150.259 flat angles P-C4'-P energy: -75.703 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -864.078810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.078810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.078810 (E_RNA) where: Base-Base interactions energy: -433.266 where: short stacking energy: -259.843 Base-Backbone interact. energy: -0.173 local terms energy: -430.639609 where: bonds (distance) C4'-P energy: -120.852 bonds (distance) P-C4' energy: -126.860 flat angles C4'-P-C4' energy: -109.366 flat angles P-C4'-P energy: -63.234 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -819.844424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.844424 (E_RNA) where: Base-Base interactions energy: -401.568 where: short stacking energy: -233.685 Base-Backbone interact. energy: -2.174 local terms energy: -416.101673 where: bonds (distance) C4'-P energy: -111.932 bonds (distance) P-C4' energy: -137.280 flat angles C4'-P-C4' energy: -110.766 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: 13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2708.429422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.429422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.429422 (E_RNA) where: Base-Base interactions energy: -1916.477 where: short stacking energy: -773.065 Base-Backbone interact. energy: -4.902 local terms energy: -787.050380 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -174.648 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -208.739 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2606.178918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.178918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.178918 (E_RNA) where: Base-Base interactions energy: -1767.921 where: short stacking energy: -784.027 Base-Backbone interact. energy: -4.545 local terms energy: -833.713671 where: bonds (distance) C4'-P energy: -157.200 bonds (distance) P-C4' energy: -151.747 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -115.809 tors. eta vs tors. theta energy: -237.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2455.959142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.959142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.959142 (E_RNA) where: Base-Base interactions energy: -1728.117 where: short stacking energy: -690.333 Base-Backbone interact. energy: -8.692 local terms energy: -719.150368 where: bonds (distance) C4'-P energy: -128.552 bonds (distance) P-C4' energy: -138.527 flat angles C4'-P-C4' energy: -164.154 flat angles P-C4'-P energy: -96.287 tors. eta vs tors. theta energy: -191.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2279.742633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.742633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.742633 (E_RNA) where: Base-Base interactions energy: -1518.872 where: short stacking energy: -663.279 Base-Backbone interact. energy: -3.116 local terms energy: -757.754922 where: bonds (distance) C4'-P energy: -158.810 bonds (distance) P-C4' energy: -148.570 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -187.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2225.318842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.318842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.318842 (E_RNA) where: Base-Base interactions energy: -1505.973 where: short stacking energy: -646.183 Base-Backbone interact. energy: -4.725 local terms energy: -714.620569 where: bonds (distance) C4'-P energy: -120.625 bonds (distance) P-C4' energy: -143.937 flat angles C4'-P-C4' energy: -154.056 flat angles P-C4'-P energy: -101.675 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2008.674477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.674477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.674477 (E_RNA) where: Base-Base interactions energy: -1386.448 where: short stacking energy: -567.432 Base-Backbone interact. energy: -1.810 local terms energy: -620.416862 where: bonds (distance) C4'-P energy: -131.224 bonds (distance) P-C4' energy: -152.021 flat angles C4'-P-C4' energy: -132.743 flat angles P-C4'-P energy: -78.423 tors. eta vs tors. theta energy: -126.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1848.303408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.303408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.303408 (E_RNA) where: Base-Base interactions energy: -1235.966 where: short stacking energy: -502.791 Base-Backbone interact. energy: 0.242 local terms energy: -612.579746 where: bonds (distance) C4'-P energy: -130.010 bonds (distance) P-C4' energy: -133.591 flat angles C4'-P-C4' energy: -153.134 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -111.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1472.675046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.675046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.675046 (E_RNA) where: Base-Base interactions energy: -939.692 where: short stacking energy: -428.593 Base-Backbone interact. energy: -2.408 local terms energy: -530.575449 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -114.487 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -78.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -865.775950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.775950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.775950 (E_RNA) where: Base-Base interactions energy: -421.099 where: short stacking energy: -253.976 Base-Backbone interact. energy: 0.730 local terms energy: -445.406641 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -116.527 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -7.755 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: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -773.979739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.979739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.979739 (E_RNA) where: Base-Base interactions energy: -351.440 where: short stacking energy: -206.406 Base-Backbone interact. energy: -3.679 local terms energy: -418.860338 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -140.925 flat angles C4'-P-C4' energy: -98.370 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2695.986880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.986880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.986880 (E_RNA) where: Base-Base interactions energy: -1891.924 where: short stacking energy: -763.929 Base-Backbone interact. energy: -1.493 local terms energy: -802.570006 where: bonds (distance) C4'-P energy: -145.370 bonds (distance) P-C4' energy: -158.276 flat angles C4'-P-C4' energy: -164.223 flat angles P-C4'-P energy: -117.704 tors. eta vs tors. theta energy: -216.998 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: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2592.369383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.369383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.369383 (E_RNA) where: Base-Base interactions energy: -1774.995 where: short stacking energy: -788.710 Base-Backbone interact. energy: -2.286 local terms energy: -815.088233 where: bonds (distance) C4'-P energy: -139.697 bonds (distance) P-C4' energy: -158.112 flat angles C4'-P-C4' energy: -171.144 flat angles P-C4'-P energy: -117.415 tors. eta vs tors. theta energy: -228.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2424.872109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.872109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.872109 (E_RNA) where: Base-Base interactions energy: -1692.805 where: short stacking energy: -689.158 Base-Backbone interact. energy: 0.435 local terms energy: -732.501931 where: bonds (distance) C4'-P energy: -150.068 bonds (distance) P-C4' energy: -150.938 flat angles C4'-P-C4' energy: -149.002 flat angles P-C4'-P energy: -100.235 tors. eta vs tors. theta energy: -182.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2254.101821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.101821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.101821 (E_RNA) where: Base-Base interactions energy: -1532.668 where: short stacking energy: -639.339 Base-Backbone interact. energy: -5.161 local terms energy: -716.273458 where: bonds (distance) C4'-P energy: -150.584 bonds (distance) P-C4' energy: -124.102 flat angles C4'-P-C4' energy: -167.771 flat angles P-C4'-P energy: -97.746 tors. eta vs tors. theta energy: -176.071 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2259.976326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.976326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.976326 (E_RNA) where: Base-Base interactions energy: -1523.209 where: short stacking energy: -658.574 Base-Backbone interact. energy: -2.196 local terms energy: -734.571189 where: bonds (distance) C4'-P energy: -148.319 bonds (distance) P-C4' energy: -151.942 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -86.944 tors. eta vs tors. theta energy: -191.884 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: 290 Temperature: 1.150000 Total energy: -1964.983948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.983948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.983948 (E_RNA) where: Base-Base interactions energy: -1348.291 where: short stacking energy: -544.293 Base-Backbone interact. energy: -0.841 local terms energy: -615.851440 where: bonds (distance) C4'-P energy: -128.015 bonds (distance) P-C4' energy: -138.650 flat angles C4'-P-C4' energy: -133.872 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -128.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1878.706587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.706587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.706587 (E_RNA) where: Base-Base interactions energy: -1267.794 where: short stacking energy: -563.923 Base-Backbone interact. energy: -1.427 local terms energy: -609.486289 where: bonds (distance) C4'-P energy: -125.577 bonds (distance) P-C4' energy: -138.064 flat angles C4'-P-C4' energy: -119.924 flat angles P-C4'-P energy: -78.789 tors. eta vs tors. theta energy: -147.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1472.411804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.411804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.411804 (E_RNA) where: Base-Base interactions energy: -934.874 where: short stacking energy: -437.593 Base-Backbone interact. energy: 0.806 local terms energy: -538.344368 where: bonds (distance) C4'-P energy: -132.157 bonds (distance) P-C4' energy: -118.069 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -89.769 tors. eta vs tors. theta energy: -78.379 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: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -864.927047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.927047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.927047 (E_RNA) where: Base-Base interactions energy: -420.359 where: short stacking energy: -255.047 Base-Backbone interact. energy: -0.196 local terms energy: -444.371987 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -129.645 flat angles C4'-P-C4' energy: -93.190 flat angles P-C4'-P energy: -97.213 tors. eta vs tors. theta energy: -12.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -823.937957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.937957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.937957 (E_RNA) where: Base-Base interactions energy: -403.796 where: short stacking energy: -240.907 Base-Backbone interact. energy: -2.282 local terms energy: -417.860366 where: bonds (distance) C4'-P energy: -110.999 bonds (distance) P-C4' energy: -128.005 flat angles C4'-P-C4' energy: -118.220 flat angles P-C4'-P energy: -47.388 tors. eta vs tors. theta energy: -13.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2699.511078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.511078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.511078 (E_RNA) where: Base-Base interactions energy: -1894.509 where: short stacking energy: -755.439 Base-Backbone interact. energy: -3.442 local terms energy: -801.559865 where: bonds (distance) C4'-P energy: -139.255 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -185.770 flat angles P-C4'-P energy: -111.133 tors. eta vs tors. theta energy: -217.394 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: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2608.126263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.126263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.126263 (E_RNA) where: Base-Base interactions energy: -1773.501 where: short stacking energy: -799.230 Base-Backbone interact. energy: -5.399 local terms energy: -829.225871 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -149.618 flat angles C4'-P-C4' energy: -171.014 flat angles P-C4'-P energy: -128.886 tors. eta vs tors. theta energy: -240.386 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: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2403.221314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.221314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.221314 (E_RNA) where: Base-Base interactions energy: -1659.376 where: short stacking energy: -665.199 Base-Backbone interact. energy: -6.810 local terms energy: -737.035660 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -152.446 flat angles C4'-P-C4' energy: -158.767 flat angles P-C4'-P energy: -109.089 tors. eta vs tors. theta energy: -175.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2340.533053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.533053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.533053 (E_RNA) where: Base-Base interactions energy: -1593.985 where: short stacking energy: -695.076 Base-Backbone interact. energy: 0.611 local terms energy: -747.158852 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -166.251 flat angles P-C4'-P energy: -99.694 tors. eta vs tors. theta energy: -204.284 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: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2186.673025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.673025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.673025 (E_RNA) where: Base-Base interactions energy: -1502.117 where: short stacking energy: -648.989 Base-Backbone interact. energy: -2.131 local terms energy: -682.424950 where: bonds (distance) C4'-P energy: -121.552 bonds (distance) P-C4' energy: -144.546 flat angles C4'-P-C4' energy: -159.204 flat angles P-C4'-P energy: -94.883 tors. eta vs tors. theta energy: -162.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1983.431640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.431640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.431640 (E_RNA) where: Base-Base interactions energy: -1335.401 where: short stacking energy: -554.829 Base-Backbone interact. energy: -3.149 local terms energy: -644.881328 where: bonds (distance) C4'-P energy: -129.128 bonds (distance) P-C4' energy: -143.465 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -136.055 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1852.810117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.810117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.810117 (E_RNA) where: Base-Base interactions energy: -1216.350 where: short stacking energy: -524.046 Base-Backbone interact. energy: -3.583 local terms energy: -632.876697 where: bonds (distance) C4'-P energy: -147.752 bonds (distance) P-C4' energy: -124.689 flat angles C4'-P-C4' energy: -150.323 flat angles P-C4'-P energy: -93.196 tors. eta vs tors. theta energy: -116.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1460.515644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.515644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.515644 (E_RNA) where: Base-Base interactions energy: -925.627 where: short stacking energy: -437.601 Base-Backbone interact. energy: 1.910 local terms energy: -536.799058 where: bonds (distance) C4'-P energy: -101.370 bonds (distance) P-C4' energy: -150.630 flat angles C4'-P-C4' energy: -141.569 flat angles P-C4'-P energy: -74.232 tors. eta vs tors. theta energy: -68.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -912.592501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.592501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.592501 (E_RNA) where: Base-Base interactions energy: -457.383 where: short stacking energy: -251.870 Base-Backbone interact. energy: -1.619 local terms energy: -453.590000 where: bonds (distance) C4'-P energy: -112.543 bonds (distance) P-C4' energy: -145.720 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -12.570 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: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -784.474571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.474571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.474571 (E_RNA) where: Base-Base interactions energy: -391.738 where: short stacking energy: -246.174 Base-Backbone interact. energy: 0.484 local terms energy: -393.220826 where: bonds (distance) C4'-P energy: -108.237 bonds (distance) P-C4' energy: -124.257 flat angles C4'-P-C4' energy: -94.314 flat angles P-C4'-P energy: -64.088 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2716.995462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.995462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.995462 (E_RNA) where: Base-Base interactions energy: -1920.699 where: short stacking energy: -753.704 Base-Backbone interact. energy: -5.286 local terms energy: -791.010338 where: bonds (distance) C4'-P energy: -149.698 bonds (distance) P-C4' energy: -148.217 flat angles C4'-P-C4' energy: -168.506 flat angles P-C4'-P energy: -114.533 tors. eta vs tors. theta energy: -210.057 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: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2613.542169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.542169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.542169 (E_RNA) where: Base-Base interactions energy: -1761.750 where: short stacking energy: -801.305 Base-Backbone interact. energy: -3.691 local terms energy: -848.100852 where: bonds (distance) C4'-P energy: -144.878 bonds (distance) P-C4' energy: -166.632 flat angles C4'-P-C4' energy: -170.768 flat angles P-C4'-P energy: -120.141 tors. eta vs tors. theta energy: -245.682 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: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2388.569216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.569216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.569216 (E_RNA) where: Base-Base interactions energy: -1632.075 where: short stacking energy: -700.346 Base-Backbone interact. energy: -0.708 local terms energy: -755.786953 where: bonds (distance) C4'-P energy: -157.616 bonds (distance) P-C4' energy: -145.506 flat angles C4'-P-C4' energy: -153.620 flat angles P-C4'-P energy: -91.351 tors. eta vs tors. theta energy: -207.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2303.337960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.337960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.337960 (E_RNA) where: Base-Base interactions energy: -1549.585 where: short stacking energy: -681.895 Base-Backbone interact. energy: -2.217 local terms energy: -751.536263 where: bonds (distance) C4'-P energy: -153.461 bonds (distance) P-C4' energy: -149.585 flat angles C4'-P-C4' energy: -162.923 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -186.520 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: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2192.406928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.406928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.406928 (E_RNA) where: Base-Base interactions energy: -1488.702 where: short stacking energy: -661.540 Base-Backbone interact. energy: 1.486 local terms energy: -705.191638 where: bonds (distance) C4'-P energy: -139.226 bonds (distance) P-C4' energy: -123.388 flat angles C4'-P-C4' energy: -162.932 flat angles P-C4'-P energy: -101.196 tors. eta vs tors. theta energy: -178.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1913.962066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.962066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.962066 (E_RNA) where: Base-Base interactions energy: -1312.801 where: short stacking energy: -572.308 Base-Backbone interact. energy: -1.521 local terms energy: -599.640610 where: bonds (distance) C4'-P energy: -131.705 bonds (distance) P-C4' energy: -127.321 flat angles C4'-P-C4' energy: -136.121 flat angles P-C4'-P energy: -68.468 tors. eta vs tors. theta energy: -136.027 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: 292 Temperature: 1.200000 Total energy: -1808.643005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.643005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.643005 (E_RNA) where: Base-Base interactions energy: -1211.546 where: short stacking energy: -526.498 Base-Backbone interact. energy: -0.637 local terms energy: -596.460103 where: bonds (distance) C4'-P energy: -123.257 bonds (distance) P-C4' energy: -126.657 flat angles C4'-P-C4' energy: -140.507 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -125.963 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: 292 Temperature: 1.250000 Total energy: -1511.878276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.878276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.878276 (E_RNA) where: Base-Base interactions energy: -968.711 where: short stacking energy: -443.066 Base-Backbone interact. energy: -2.907 local terms energy: -540.260406 where: bonds (distance) C4'-P energy: -109.837 bonds (distance) P-C4' energy: -126.657 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -79.478 tors. eta vs tors. theta energy: -86.876 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -982.821946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.821946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.821946 (E_RNA) where: Base-Base interactions energy: -556.928 where: short stacking energy: -298.350 Base-Backbone interact. energy: 3.252 local terms energy: -429.146618 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -112.873 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -769.662845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.662845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.662845 (E_RNA) where: Base-Base interactions energy: -373.077 where: short stacking energy: -199.254 Base-Backbone interact. energy: 3.957 local terms energy: -400.542273 where: bonds (distance) C4'-P energy: -106.447 bonds (distance) P-C4' energy: -128.477 flat angles C4'-P-C4' energy: -110.360 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: 10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2694.073650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.073650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.073650 (E_RNA) where: Base-Base interactions energy: -1878.840 where: short stacking energy: -751.497 Base-Backbone interact. energy: -5.553 local terms energy: -809.680912 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -156.141 flat angles C4'-P-C4' energy: -180.892 flat angles P-C4'-P energy: -114.548 tors. eta vs tors. theta energy: -211.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2597.986793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.986793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.986793 (E_RNA) where: Base-Base interactions energy: -1782.128 where: short stacking energy: -792.212 Base-Backbone interact. energy: -2.125 local terms energy: -813.733622 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -145.473 flat angles C4'-P-C4' energy: -182.857 flat angles P-C4'-P energy: -118.086 tors. eta vs tors. theta energy: -232.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2492.185643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.185643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.185643 (E_RNA) where: Base-Base interactions energy: -1691.709 where: short stacking energy: -722.096 Base-Backbone interact. energy: -3.638 local terms energy: -796.838330 where: bonds (distance) C4'-P energy: -145.651 bonds (distance) P-C4' energy: -144.051 flat angles C4'-P-C4' energy: -177.239 flat angles P-C4'-P energy: -120.451 tors. eta vs tors. theta energy: -209.447 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: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2320.518027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.518027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.518027 (E_RNA) where: Base-Base interactions energy: -1603.987 where: short stacking energy: -657.959 Base-Backbone interact. energy: -5.632 local terms energy: -710.899081 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -142.292 flat angles C4'-P-C4' energy: -165.144 flat angles P-C4'-P energy: -92.908 tors. eta vs tors. theta energy: -177.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2183.035716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.035716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.035716 (E_RNA) where: Base-Base interactions energy: -1496.230 where: short stacking energy: -653.069 Base-Backbone interact. energy: -1.305 local terms energy: -685.500393 where: bonds (distance) C4'-P energy: -131.842 bonds (distance) P-C4' energy: -133.884 flat angles C4'-P-C4' energy: -153.381 flat angles P-C4'-P energy: -87.623 tors. eta vs tors. theta energy: -178.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1897.020924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.020924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.020924 (E_RNA) where: Base-Base interactions energy: -1251.338 where: short stacking energy: -576.800 Base-Backbone interact. energy: -3.372 local terms energy: -642.311333 where: bonds (distance) C4'-P energy: -125.195 bonds (distance) P-C4' energy: -157.491 flat angles C4'-P-C4' energy: -137.272 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -137.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1811.610428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.610428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.610428 (E_RNA) where: Base-Base interactions energy: -1222.253 where: short stacking energy: -526.720 Base-Backbone interact. energy: 2.462 local terms energy: -591.819101 where: bonds (distance) C4'-P energy: -130.907 bonds (distance) P-C4' energy: -118.032 flat angles C4'-P-C4' energy: -136.632 flat angles P-C4'-P energy: -74.597 tors. eta vs tors. theta energy: -131.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1525.092233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.092233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.092233 (E_RNA) where: Base-Base interactions energy: -985.575 where: short stacking energy: -435.258 Base-Backbone interact. energy: 10.667 local terms energy: -550.184993 where: bonds (distance) C4'-P energy: -129.700 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -135.444 flat angles P-C4'-P energy: -86.077 tors. eta vs tors. theta energy: -75.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -886.434861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.434861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.434861 (E_RNA) where: Base-Base interactions energy: -438.803 where: short stacking energy: -219.445 Base-Backbone interact. energy: 2.771 local terms energy: -450.402419 where: bonds (distance) C4'-P energy: -119.456 bonds (distance) P-C4' energy: -123.374 flat angles C4'-P-C4' energy: -137.436 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -787.091300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.091300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.091300 (E_RNA) where: Base-Base interactions energy: -376.054 where: short stacking energy: -218.406 Base-Backbone interact. energy: -2.339 local terms energy: -408.698569 where: bonds (distance) C4'-P energy: -123.559 bonds (distance) P-C4' energy: -135.360 flat angles C4'-P-C4' energy: -97.942 flat angles P-C4'-P energy: -70.033 tors. eta vs tors. theta energy: 18.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2669.403152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.403152 (E_RNA) where: Base-Base interactions energy: -1886.133 where: short stacking energy: -753.846 Base-Backbone interact. energy: -4.099 local terms energy: -779.171537 where: bonds (distance) C4'-P energy: -154.842 bonds (distance) P-C4' energy: -145.883 flat angles C4'-P-C4' energy: -162.506 flat angles P-C4'-P energy: -100.102 tors. eta vs tors. theta energy: -215.838 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: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2573.801096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.801096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.801096 (E_RNA) where: Base-Base interactions energy: -1729.487 where: short stacking energy: -789.050 Base-Backbone interact. energy: -1.126 local terms energy: -843.187942 where: bonds (distance) C4'-P energy: -143.998 bonds (distance) P-C4' energy: -156.742 flat angles C4'-P-C4' energy: -177.903 flat angles P-C4'-P energy: -121.167 tors. eta vs tors. theta energy: -243.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2485.051719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.051719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.051719 (E_RNA) where: Base-Base interactions energy: -1721.989 where: short stacking energy: -740.202 Base-Backbone interact. energy: -3.646 local terms energy: -759.417543 where: bonds (distance) C4'-P energy: -118.342 bonds (distance) P-C4' energy: -143.313 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -119.218 tors. eta vs tors. theta energy: -218.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2341.563541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.563541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.563541 (E_RNA) where: Base-Base interactions energy: -1610.547 where: short stacking energy: -665.854 Base-Backbone interact. energy: -0.477 local terms energy: -730.539606 where: bonds (distance) C4'-P energy: -132.242 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -167.513 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -192.255 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: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2196.261090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.261090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.261090 (E_RNA) where: Base-Base interactions energy: -1484.628 where: short stacking energy: -654.187 Base-Backbone interact. energy: -5.598 local terms energy: -706.035321 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -141.462 flat angles C4'-P-C4' energy: -152.052 flat angles P-C4'-P energy: -99.445 tors. eta vs tors. theta energy: -183.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2000.684800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.684800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.684800 (E_RNA) where: Base-Base interactions energy: -1366.238 where: short stacking energy: -591.763 Base-Backbone interact. energy: -0.500 local terms energy: -633.947068 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -129.869 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -96.556 tors. eta vs tors. theta energy: -148.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1721.272841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.272841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.272841 (E_RNA) where: Base-Base interactions energy: -1155.587 where: short stacking energy: -501.077 Base-Backbone interact. energy: -2.972 local terms energy: -562.713864 where: bonds (distance) C4'-P energy: -115.236 bonds (distance) P-C4' energy: -120.821 flat angles C4'-P-C4' energy: -121.264 flat angles P-C4'-P energy: -100.391 tors. eta vs tors. theta energy: -105.002 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: 294 Temperature: 1.250000 Total energy: -1640.222318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.222318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.222318 (E_RNA) where: Base-Base interactions energy: -1085.998 where: short stacking energy: -485.134 Base-Backbone interact. energy: 1.142 local terms energy: -555.366863 where: bonds (distance) C4'-P energy: -120.932 bonds (distance) P-C4' energy: -105.886 flat angles C4'-P-C4' energy: -141.051 flat angles P-C4'-P energy: -88.981 tors. eta vs tors. theta energy: -98.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -900.392983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.392983 (E_RNA) where: Base-Base interactions energy: -461.092 where: short stacking energy: -261.634 Base-Backbone interact. energy: 3.268 local terms energy: -442.568986 where: bonds (distance) C4'-P energy: -120.795 bonds (distance) P-C4' energy: -124.505 flat angles C4'-P-C4' energy: -114.896 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -10.982 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: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -792.539454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.539454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.539454 (E_RNA) where: Base-Base interactions energy: -378.203 where: short stacking energy: -217.421 Base-Backbone interact. energy: -4.146 local terms energy: -410.189685 where: bonds (distance) C4'-P energy: -121.054 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -109.123 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: 10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2686.507919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.507919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.507919 (E_RNA) where: Base-Base interactions energy: -1917.911 where: short stacking energy: -742.744 Base-Backbone interact. energy: -2.013 local terms energy: -766.583707 where: bonds (distance) C4'-P energy: -140.205 bonds (distance) P-C4' energy: -142.591 flat angles C4'-P-C4' energy: -169.511 flat angles P-C4'-P energy: -106.322 tors. eta vs tors. theta energy: -207.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2585.015930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.015930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.015930 (E_RNA) where: Base-Base interactions energy: -1777.941 where: short stacking energy: -779.025 Base-Backbone interact. energy: -0.188 local terms energy: -806.887510 where: bonds (distance) C4'-P energy: -141.723 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -242.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2491.930909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.930909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.930909 (E_RNA) where: Base-Base interactions energy: -1694.702 where: short stacking energy: -735.705 Base-Backbone interact. energy: -0.445 local terms energy: -796.783826 where: bonds (distance) C4'-P energy: -145.343 bonds (distance) P-C4' energy: -159.097 flat angles C4'-P-C4' energy: -161.930 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -211.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2333.169179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.169179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.169179 (E_RNA) where: Base-Base interactions energy: -1611.534 where: short stacking energy: -664.736 Base-Backbone interact. energy: 0.438 local terms energy: -722.073738 where: bonds (distance) C4'-P energy: -150.943 bonds (distance) P-C4' energy: -123.506 flat angles C4'-P-C4' energy: -166.850 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -194.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2168.795445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.795445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.795445 (E_RNA) where: Base-Base interactions energy: -1460.751 where: short stacking energy: -615.892 Base-Backbone interact. energy: -3.626 local terms energy: -704.419145 where: bonds (distance) C4'-P energy: -134.647 bonds (distance) P-C4' energy: -151.217 flat angles C4'-P-C4' energy: -158.072 flat angles P-C4'-P energy: -96.368 tors. eta vs tors. theta energy: -164.115 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1998.325073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.325073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.325073 (E_RNA) where: Base-Base interactions energy: -1340.164 where: short stacking energy: -564.842 Base-Backbone interact. energy: -3.787 local terms energy: -654.373637 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -136.201 flat angles C4'-P-C4' energy: -146.378 flat angles P-C4'-P energy: -92.613 tors. eta vs tors. theta energy: -158.207 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: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1817.843676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.843676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.843676 (E_RNA) where: Base-Base interactions energy: -1198.526 where: short stacking energy: -494.653 Base-Backbone interact. energy: 1.892 local terms energy: -621.209300 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -135.845 flat angles C4'-P-C4' energy: -147.270 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -112.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1555.166301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.166301 (E_RNA) where: Base-Base interactions energy: -1010.663 where: short stacking energy: -433.755 Base-Backbone interact. energy: 4.996 local terms energy: -549.498628 where: bonds (distance) C4'-P energy: -139.082 bonds (distance) P-C4' energy: -127.317 flat angles C4'-P-C4' energy: -133.663 flat angles P-C4'-P energy: -80.219 tors. eta vs tors. theta energy: -69.217 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: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -892.132983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.132983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.132983 (E_RNA) where: Base-Base interactions energy: -452.336 where: short stacking energy: -261.695 Base-Backbone interact. energy: 0.572 local terms energy: -440.369927 where: bonds (distance) C4'-P energy: -119.907 bonds (distance) P-C4' energy: -122.585 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -81.978 tors. eta vs tors. theta energy: 5.822 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: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -742.940890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.940890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.940890 (E_RNA) where: Base-Base interactions energy: -329.346 where: short stacking energy: -215.714 Base-Backbone interact. energy: 6.451 local terms energy: -420.046102 where: bonds (distance) C4'-P energy: -139.778 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -116.223 flat angles P-C4'-P energy: -66.825 tors. eta vs tors. theta energy: 25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2652.724570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.724570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.724570 (E_RNA) where: Base-Base interactions energy: -1846.043 where: short stacking energy: -733.258 Base-Backbone interact. energy: -3.532 local terms energy: -803.149083 where: bonds (distance) C4'-P energy: -147.796 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -181.884 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -209.058 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: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2599.622621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.622621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.622621 (E_RNA) where: Base-Base interactions energy: -1786.147 where: short stacking energy: -789.126 Base-Backbone interact. energy: -2.413 local terms energy: -811.062865 where: bonds (distance) C4'-P energy: -141.614 bonds (distance) P-C4' energy: -140.583 flat angles C4'-P-C4' energy: -167.386 flat angles P-C4'-P energy: -127.739 tors. eta vs tors. theta energy: -233.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2484.871056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.871056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.871056 (E_RNA) where: Base-Base interactions energy: -1719.690 where: short stacking energy: -743.415 Base-Backbone interact. energy: -4.523 local terms energy: -760.657529 where: bonds (distance) C4'-P energy: -137.379 bonds (distance) P-C4' energy: -154.365 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -98.063 tors. eta vs tors. theta energy: -213.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2296.075425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.075425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.075425 (E_RNA) where: Base-Base interactions energy: -1588.449 where: short stacking energy: -669.155 Base-Backbone interact. energy: -5.746 local terms energy: -701.880483 where: bonds (distance) C4'-P energy: -134.178 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -97.881 tors. eta vs tors. theta energy: -179.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2169.204558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.204558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.204558 (E_RNA) where: Base-Base interactions energy: -1465.922 where: short stacking energy: -643.363 Base-Backbone interact. energy: -2.524 local terms energy: -700.758960 where: bonds (distance) C4'-P energy: -137.008 bonds (distance) P-C4' energy: -127.030 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -109.198 tors. eta vs tors. theta energy: -172.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2006.640809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.640809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.640809 (E_RNA) where: Base-Base interactions energy: -1337.145 where: short stacking energy: -574.457 Base-Backbone interact. energy: -1.795 local terms energy: -667.701096 where: bonds (distance) C4'-P energy: -127.730 bonds (distance) P-C4' energy: -139.855 flat angles C4'-P-C4' energy: -138.376 flat angles P-C4'-P energy: -109.789 tors. eta vs tors. theta energy: -151.950 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: 296 Temperature: 1.200000 Total energy: -1748.675225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.675225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.675225 (E_RNA) where: Base-Base interactions energy: -1168.884 where: short stacking energy: -501.450 Base-Backbone interact. energy: 1.461 local terms energy: -581.252054 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -143.519 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -99.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1508.103328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.103328 (E_RNA) where: Base-Base interactions energy: -979.564 where: short stacking energy: -449.929 Base-Backbone interact. energy: -1.892 local terms energy: -526.647673 where: bonds (distance) C4'-P energy: -117.583 bonds (distance) P-C4' energy: -115.610 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -87.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -871.460694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.460694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.460694 (E_RNA) where: Base-Base interactions energy: -418.794 where: short stacking energy: -253.456 Base-Backbone interact. energy: 3.914 local terms energy: -456.580826 where: bonds (distance) C4'-P energy: -134.146 bonds (distance) P-C4' energy: -132.158 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -79.833 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -754.329781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.329781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.329781 (E_RNA) where: Base-Base interactions energy: -377.628 where: short stacking energy: -196.543 Base-Backbone interact. energy: 6.266 local terms energy: -382.967971 where: bonds (distance) C4'-P energy: -126.639 bonds (distance) P-C4' energy: -124.071 flat angles C4'-P-C4' energy: -103.963 flat angles P-C4'-P energy: -48.952 tors. eta vs tors. theta energy: 20.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2671.856193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.856193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.856193 (E_RNA) where: Base-Base interactions energy: -1864.737 where: short stacking energy: -728.751 Base-Backbone interact. energy: -5.917 local terms energy: -801.202851 where: bonds (distance) C4'-P energy: -142.745 bonds (distance) P-C4' energy: -165.476 flat angles C4'-P-C4' energy: -186.805 flat angles P-C4'-P energy: -106.737 tors. eta vs tors. theta energy: -199.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2559.626177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.626177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.626177 (E_RNA) where: Base-Base interactions energy: -1718.277 where: short stacking energy: -763.998 Base-Backbone interact. energy: -2.739 local terms energy: -838.609842 where: bonds (distance) C4'-P energy: -155.649 bonds (distance) P-C4' energy: -164.019 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -117.230 tors. eta vs tors. theta energy: -236.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2508.629190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.629190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.629190 (E_RNA) where: Base-Base interactions energy: -1698.473 where: short stacking energy: -721.402 Base-Backbone interact. energy: -2.739 local terms energy: -807.417951 where: bonds (distance) C4'-P energy: -149.317 bonds (distance) P-C4' energy: -146.513 flat angles C4'-P-C4' energy: -183.277 flat angles P-C4'-P energy: -117.587 tors. eta vs tors. theta energy: -210.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2306.559011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.559011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.559011 (E_RNA) where: Base-Base interactions energy: -1619.762 where: short stacking energy: -664.510 Base-Backbone interact. energy: -5.849 local terms energy: -680.947631 where: bonds (distance) C4'-P energy: -142.020 bonds (distance) P-C4' energy: -127.928 flat angles C4'-P-C4' energy: -148.692 flat angles P-C4'-P energy: -89.364 tors. eta vs tors. theta energy: -172.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2182.419074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.419074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.419074 (E_RNA) where: Base-Base interactions energy: -1484.200 where: short stacking energy: -619.049 Base-Backbone interact. energy: -4.666 local terms energy: -693.552728 where: bonds (distance) C4'-P energy: -127.905 bonds (distance) P-C4' energy: -136.246 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -97.422 tors. eta vs tors. theta energy: -165.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1995.498568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.498568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.498568 (E_RNA) where: Base-Base interactions energy: -1353.416 where: short stacking energy: -584.712 Base-Backbone interact. energy: 0.712 local terms energy: -642.794200 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -119.410 flat angles C4'-P-C4' energy: -138.665 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -155.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1756.408089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.408089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.408089 (E_RNA) where: Base-Base interactions energy: -1158.926 where: short stacking energy: -484.658 Base-Backbone interact. energy: -2.793 local terms energy: -594.688817 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -135.537 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -86.830 tors. eta vs tors. theta energy: -98.142 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: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1517.897666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.897666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.897666 (E_RNA) where: Base-Base interactions energy: -956.675 where: short stacking energy: -436.180 Base-Backbone interact. energy: 0.306 local terms energy: -561.528897 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -130.529 flat angles C4'-P-C4' energy: -124.837 flat angles P-C4'-P energy: -91.528 tors. eta vs tors. theta energy: -91.988 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: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -873.988938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.988938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.988938 (E_RNA) where: Base-Base interactions energy: -433.169 where: short stacking energy: -260.625 Base-Backbone interact. energy: 1.219 local terms energy: -442.038973 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -129.108 flat angles C4'-P-C4' energy: -112.944 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -9.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -748.121236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.121236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.121236 (E_RNA) where: Base-Base interactions energy: -320.076 where: short stacking energy: -192.031 Base-Backbone interact. energy: 8.541 local terms energy: -436.586498 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -142.529 flat angles C4'-P-C4' energy: -110.830 flat angles P-C4'-P energy: -68.739 tors. eta vs tors. theta energy: 11.140 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: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2690.455801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.455801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.455801 (E_RNA) where: Base-Base interactions energy: -1885.499 where: short stacking energy: -768.273 Base-Backbone interact. energy: -6.290 local terms energy: -798.666321 where: bonds (distance) C4'-P energy: -135.706 bonds (distance) P-C4' energy: -169.150 flat angles C4'-P-C4' energy: -170.868 flat angles P-C4'-P energy: -117.540 tors. eta vs tors. theta energy: -205.402 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2586.753052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.753052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.753052 (E_RNA) where: Base-Base interactions energy: -1736.442 where: short stacking energy: -788.350 Base-Backbone interact. energy: -4.119 local terms energy: -846.191717 where: bonds (distance) C4'-P energy: -160.769 bonds (distance) P-C4' energy: -162.290 flat angles C4'-P-C4' energy: -172.893 flat angles P-C4'-P energy: -116.619 tors. eta vs tors. theta energy: -233.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2495.928127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.928127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.928127 (E_RNA) where: Base-Base interactions energy: -1737.263 where: short stacking energy: -765.430 Base-Backbone interact. energy: -4.267 local terms energy: -754.397608 where: bonds (distance) C4'-P energy: -128.067 bonds (distance) P-C4' energy: -157.239 flat angles C4'-P-C4' energy: -153.661 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -210.900 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: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2325.908298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.908298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.908298 (E_RNA) where: Base-Base interactions energy: -1606.514 where: short stacking energy: -654.751 Base-Backbone interact. energy: 1.009 local terms energy: -720.402774 where: bonds (distance) C4'-P energy: -142.068 bonds (distance) P-C4' energy: -147.355 flat angles C4'-P-C4' energy: -156.810 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -171.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2167.078011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.078011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.078011 (E_RNA) where: Base-Base interactions energy: -1456.372 where: short stacking energy: -654.178 Base-Backbone interact. energy: 1.205 local terms energy: -711.910418 where: bonds (distance) C4'-P energy: -127.243 bonds (distance) P-C4' energy: -138.319 flat angles C4'-P-C4' energy: -157.304 flat angles P-C4'-P energy: -110.434 tors. eta vs tors. theta energy: -178.610 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: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2001.433136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.433136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.433136 (E_RNA) where: Base-Base interactions energy: -1371.316 where: short stacking energy: -589.625 Base-Backbone interact. energy: -3.117 local terms energy: -627.000291 where: bonds (distance) C4'-P energy: -111.839 bonds (distance) P-C4' energy: -137.061 flat angles C4'-P-C4' energy: -142.652 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -141.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1706.994960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.994960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.994960 (E_RNA) where: Base-Base interactions energy: -1124.850 where: short stacking energy: -485.765 Base-Backbone interact. energy: -2.373 local terms energy: -579.771892 where: bonds (distance) C4'-P energy: -128.464 bonds (distance) P-C4' energy: -134.007 flat angles C4'-P-C4' energy: -140.360 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: -105.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1546.592923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.592923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.592923 (E_RNA) where: Base-Base interactions energy: -1008.080 where: short stacking energy: -470.925 Base-Backbone interact. energy: -2.237 local terms energy: -536.276484 where: bonds (distance) C4'-P energy: -125.156 bonds (distance) P-C4' energy: -110.198 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -95.732 tors. eta vs tors. theta energy: -95.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -883.068213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.068213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.068213 (E_RNA) where: Base-Base interactions energy: -436.256 where: short stacking energy: -269.081 Base-Backbone interact. energy: -3.704 local terms energy: -443.108032 where: bonds (distance) C4'-P energy: -120.601 bonds (distance) P-C4' energy: -119.939 flat angles C4'-P-C4' energy: -126.056 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -748.218433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.218433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.218433 (E_RNA) where: Base-Base interactions energy: -338.489 where: short stacking energy: -186.344 Base-Backbone interact. energy: 2.195 local terms energy: -411.924516 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -94.766 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: 19.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2677.736101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.736101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.736101 (E_RNA) where: Base-Base interactions energy: -1864.734 where: short stacking energy: -762.188 Base-Backbone interact. energy: -5.944 local terms energy: -807.058161 where: bonds (distance) C4'-P energy: -156.269 bonds (distance) P-C4' energy: -165.071 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -105.427 tors. eta vs tors. theta energy: -204.467 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2599.731834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.731834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.731834 (E_RNA) where: Base-Base interactions energy: -1803.027 where: short stacking energy: -804.438 Base-Backbone interact. energy: -0.294 local terms energy: -796.410047 where: bonds (distance) C4'-P energy: -142.778 bonds (distance) P-C4' energy: -142.472 flat angles C4'-P-C4' energy: -166.066 flat angles P-C4'-P energy: -117.656 tors. eta vs tors. theta energy: -227.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2495.997037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.997037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.997037 (E_RNA) where: Base-Base interactions energy: -1730.491 where: short stacking energy: -750.070 Base-Backbone interact. energy: -2.137 local terms energy: -763.369239 where: bonds (distance) C4'-P energy: -148.952 bonds (distance) P-C4' energy: -133.699 flat angles C4'-P-C4' energy: -160.432 flat angles P-C4'-P energy: -95.989 tors. eta vs tors. theta energy: -224.298 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: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2322.206393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.206393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.206393 (E_RNA) where: Base-Base interactions energy: -1604.570 where: short stacking energy: -688.013 Base-Backbone interact. energy: -4.454 local terms energy: -713.182042 where: bonds (distance) C4'-P energy: -118.629 bonds (distance) P-C4' energy: -158.368 flat angles C4'-P-C4' energy: -151.959 flat angles P-C4'-P energy: -97.318 tors. eta vs tors. theta energy: -186.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2182.092757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.092757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.092757 (E_RNA) where: Base-Base interactions energy: -1451.884 where: short stacking energy: -639.744 Base-Backbone interact. energy: -3.821 local terms energy: -726.388614 where: bonds (distance) C4'-P energy: -150.056 bonds (distance) P-C4' energy: -134.771 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -103.723 tors. eta vs tors. theta energy: -181.993 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: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2035.543184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.543184 (E_RNA) where: Base-Base interactions energy: -1362.001 where: short stacking energy: -585.235 Base-Backbone interact. energy: -2.201 local terms energy: -671.341613 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -146.123 flat angles C4'-P-C4' energy: -140.874 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -160.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1700.279428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.279428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.279428 (E_RNA) where: Base-Base interactions energy: -1128.724 where: short stacking energy: -489.192 Base-Backbone interact. energy: -0.610 local terms energy: -570.945707 where: bonds (distance) C4'-P energy: -109.382 bonds (distance) P-C4' energy: -131.725 flat angles C4'-P-C4' energy: -154.819 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -84.517 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: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1586.543080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.543080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.543080 (E_RNA) where: Base-Base interactions energy: -1026.262 where: short stacking energy: -469.626 Base-Backbone interact. energy: -0.678 local terms energy: -559.603027 where: bonds (distance) C4'-P energy: -126.183 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -126.473 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: -98.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -834.306302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.306302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.306302 (E_RNA) where: Base-Base interactions energy: -412.383 where: short stacking energy: -260.584 Base-Backbone interact. energy: 1.944 local terms energy: -423.866882 where: bonds (distance) C4'-P energy: -123.387 bonds (distance) P-C4' energy: -134.008 flat angles C4'-P-C4' energy: -116.871 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: -0.602 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: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -764.542809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.542809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.542809 (E_RNA) where: Base-Base interactions energy: -358.492 where: short stacking energy: -227.844 Base-Backbone interact. energy: -1.580 local terms energy: -404.470537 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -125.492 flat angles C4'-P-C4' energy: -111.764 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: 1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2681.019782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.019782 (E_RNA) where: Base-Base interactions energy: -1862.876 where: short stacking energy: -748.102 Base-Backbone interact. energy: 0.961 local terms energy: -819.104577 where: bonds (distance) C4'-P energy: -157.828 bonds (distance) P-C4' energy: -174.224 flat angles C4'-P-C4' energy: -176.095 flat angles P-C4'-P energy: -110.188 tors. eta vs tors. theta energy: -200.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2605.835644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.835644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.835644 (E_RNA) where: Base-Base interactions energy: -1781.852 where: short stacking energy: -802.460 Base-Backbone interact. energy: -3.064 local terms energy: -820.919163 where: bonds (distance) C4'-P energy: -143.635 bonds (distance) P-C4' energy: -149.209 flat angles C4'-P-C4' energy: -175.378 flat angles P-C4'-P energy: -122.606 tors. eta vs tors. theta energy: -230.090 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: 300 Temperature: 1.000000 Total energy: -2468.258706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.258706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.258706 (E_RNA) where: Base-Base interactions energy: -1700.224 where: short stacking energy: -758.914 Base-Backbone interact. energy: 5.930 local terms energy: -773.964722 where: bonds (distance) C4'-P energy: -124.982 bonds (distance) P-C4' energy: -145.127 flat angles C4'-P-C4' energy: -166.745 flat angles P-C4'-P energy: -110.333 tors. eta vs tors. theta energy: -226.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2372.587274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.587274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.587274 (E_RNA) where: Base-Base interactions energy: -1625.212 where: short stacking energy: -701.402 Base-Backbone interact. energy: -2.579 local terms energy: -744.796395 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -151.559 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -86.645 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: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2210.659951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.659951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.659951 (E_RNA) where: Base-Base interactions energy: -1521.063 where: short stacking energy: -675.452 Base-Backbone interact. energy: -2.107 local terms energy: -687.489457 where: bonds (distance) C4'-P energy: -137.495 bonds (distance) P-C4' energy: -114.578 flat angles C4'-P-C4' energy: -143.752 flat angles P-C4'-P energy: -103.754 tors. eta vs tors. theta energy: -187.911 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: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2028.819061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.819061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.819061 (E_RNA) where: Base-Base interactions energy: -1393.509 where: short stacking energy: -601.527 Base-Backbone interact. energy: -4.126 local terms energy: -631.184192 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -133.984 flat angles C4'-P-C4' energy: -139.435 flat angles P-C4'-P energy: -99.186 tors. eta vs tors. theta energy: -141.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1776.106118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.106118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.106118 (E_RNA) where: Base-Base interactions energy: -1179.157 where: short stacking energy: -534.950 Base-Backbone interact. energy: -0.016 local terms energy: -596.933354 where: bonds (distance) C4'-P energy: -112.795 bonds (distance) P-C4' energy: -142.076 flat angles C4'-P-C4' energy: -131.694 flat angles P-C4'-P energy: -91.834 tors. eta vs tors. theta energy: -118.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1523.042487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.042487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.042487 (E_RNA) where: Base-Base interactions energy: -980.424 where: short stacking energy: -478.521 Base-Backbone interact. energy: -3.107 local terms energy: -539.511828 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -130.902 flat angles C4'-P-C4' energy: -132.515 flat angles P-C4'-P energy: -77.808 tors. eta vs tors. theta energy: -92.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -833.958930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.958930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.958930 (E_RNA) where: Base-Base interactions energy: -430.550 where: short stacking energy: -242.609 Base-Backbone interact. energy: 1.258 local terms energy: -404.666379 where: bonds (distance) C4'-P energy: -123.729 bonds (distance) P-C4' energy: -138.366 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: 18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -738.324633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.324633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.324633 (E_RNA) where: Base-Base interactions energy: -349.196 where: short stacking energy: -222.801 Base-Backbone interact. energy: -2.077 local terms energy: -387.051992 where: bonds (distance) C4'-P energy: -121.228 bonds (distance) P-C4' energy: -120.925 flat angles C4'-P-C4' energy: -120.763 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: 23.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2686.784312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.784312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.784312 (E_RNA) where: Base-Base interactions energy: -1897.490 where: short stacking energy: -778.749 Base-Backbone interact. energy: 8.160 local terms energy: -797.454276 where: bonds (distance) C4'-P energy: -147.911 bonds (distance) P-C4' energy: -145.348 flat angles C4'-P-C4' energy: -182.393 flat angles P-C4'-P energy: -117.143 tors. eta vs tors. theta energy: -204.660 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: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2600.057518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.057518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.057518 (E_RNA) where: Base-Base interactions energy: -1783.263 where: short stacking energy: -796.801 Base-Backbone interact. energy: -1.864 local terms energy: -814.929886 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -140.097 flat angles C4'-P-C4' energy: -169.360 flat angles P-C4'-P energy: -111.152 tors. eta vs tors. theta energy: -255.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2456.301933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.301933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.301933 (E_RNA) where: Base-Base interactions energy: -1687.242 where: short stacking energy: -756.661 Base-Backbone interact. energy: -1.369 local terms energy: -767.690597 where: bonds (distance) C4'-P energy: -153.113 bonds (distance) P-C4' energy: -135.504 flat angles C4'-P-C4' energy: -156.977 flat angles P-C4'-P energy: -99.000 tors. eta vs tors. theta energy: -223.096 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: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2401.066534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.066534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.066534 (E_RNA) where: Base-Base interactions energy: -1687.988 where: short stacking energy: -676.348 Base-Backbone interact. energy: -2.591 local terms energy: -710.487649 where: bonds (distance) C4'-P energy: -137.889 bonds (distance) P-C4' energy: -146.356 flat angles C4'-P-C4' energy: -155.529 flat angles P-C4'-P energy: -82.931 tors. eta vs tors. theta energy: -187.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2223.767880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.767880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.767880 (E_RNA) where: Base-Base interactions energy: -1485.291 where: short stacking energy: -695.172 Base-Backbone interact. energy: -6.276 local terms energy: -732.201173 where: bonds (distance) C4'-P energy: -137.496 bonds (distance) P-C4' energy: -137.120 flat angles C4'-P-C4' energy: -163.728 flat angles P-C4'-P energy: -95.976 tors. eta vs tors. theta energy: -197.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2076.283326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.283326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.283326 (E_RNA) where: Base-Base interactions energy: -1431.094 where: short stacking energy: -591.177 Base-Backbone interact. energy: -4.958 local terms energy: -640.230607 where: bonds (distance) C4'-P energy: -125.777 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -148.990 flat angles P-C4'-P energy: -79.313 tors. eta vs tors. theta energy: -145.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1765.233061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.233061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.233061 (E_RNA) where: Base-Base interactions energy: -1164.081 where: short stacking energy: -487.161 Base-Backbone interact. energy: -3.012 local terms energy: -598.140255 where: bonds (distance) C4'-P energy: -108.572 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -113.475 flat angles P-C4'-P energy: -106.823 tors. eta vs tors. theta energy: -121.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1511.782220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.782220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.782220 (E_RNA) where: Base-Base interactions energy: -989.472 where: short stacking energy: -450.687 Base-Backbone interact. energy: 5.554 local terms energy: -527.864329 where: bonds (distance) C4'-P energy: -129.607 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -89.305 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: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -890.343855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.343855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.343855 (E_RNA) where: Base-Base interactions energy: -420.510 where: short stacking energy: -249.818 Base-Backbone interact. energy: -3.025 local terms energy: -466.808129 where: bonds (distance) C4'-P energy: -146.050 bonds (distance) P-C4' energy: -125.109 flat angles C4'-P-C4' energy: -121.068 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -686.695620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.695620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.695620 (E_RNA) where: Base-Base interactions energy: -294.187 where: short stacking energy: -170.949 Base-Backbone interact. energy: 2.034 local terms energy: -394.542474 where: bonds (distance) C4'-P energy: -128.188 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -85.899 flat angles P-C4'-P energy: -71.110 tors. eta vs tors. theta energy: 25.154 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: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2689.911806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.911806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.911806 (E_RNA) where: Base-Base interactions energy: -1875.698 where: short stacking energy: -775.396 Base-Backbone interact. energy: -1.488 local terms energy: -812.725796 where: bonds (distance) C4'-P energy: -159.035 bonds (distance) P-C4' energy: -160.904 flat angles C4'-P-C4' energy: -179.405 flat angles P-C4'-P energy: -102.233 tors. eta vs tors. theta energy: -211.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2597.691450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.691450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.691450 (E_RNA) where: Base-Base interactions energy: -1775.943 where: short stacking energy: -806.044 Base-Backbone interact. energy: -4.233 local terms energy: -817.514647 where: bonds (distance) C4'-P energy: -138.856 bonds (distance) P-C4' energy: -135.677 flat angles C4'-P-C4' energy: -178.127 flat angles P-C4'-P energy: -117.998 tors. eta vs tors. theta energy: -246.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2432.950641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.950641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.950641 (E_RNA) where: Base-Base interactions energy: -1685.732 where: short stacking energy: -677.719 Base-Backbone interact. energy: -1.259 local terms energy: -745.959802 where: bonds (distance) C4'-P energy: -142.157 bonds (distance) P-C4' energy: -150.932 flat angles C4'-P-C4' energy: -153.480 flat angles P-C4'-P energy: -110.156 tors. eta vs tors. theta energy: -189.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2444.935966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.935966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.935966 (E_RNA) where: Base-Base interactions energy: -1676.463 where: short stacking energy: -717.098 Base-Backbone interact. energy: -0.656 local terms energy: -767.816739 where: bonds (distance) C4'-P energy: -135.502 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -166.034 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -213.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2220.826171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.826171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.826171 (E_RNA) where: Base-Base interactions energy: -1532.585 where: short stacking energy: -683.845 Base-Backbone interact. energy: -0.645 local terms energy: -687.596567 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -154.601 flat angles P-C4'-P energy: -111.052 tors. eta vs tors. theta energy: -178.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2045.096319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.096319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.096319 (E_RNA) where: Base-Base interactions energy: -1396.707 where: short stacking energy: -575.276 Base-Backbone interact. energy: -3.253 local terms energy: -645.136107 where: bonds (distance) C4'-P energy: -120.936 bonds (distance) P-C4' energy: -135.300 flat angles C4'-P-C4' energy: -146.716 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -150.215 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: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1711.513361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.513361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.513361 (E_RNA) where: Base-Base interactions energy: -1186.530 where: short stacking energy: -483.343 Base-Backbone interact. energy: -1.125 local terms energy: -523.857793 where: bonds (distance) C4'-P energy: -103.567 bonds (distance) P-C4' energy: -134.173 flat angles C4'-P-C4' energy: -137.255 flat angles P-C4'-P energy: -65.997 tors. eta vs tors. theta energy: -82.865 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1493.380548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.380548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.380548 (E_RNA) where: Base-Base interactions energy: -960.115 where: short stacking energy: -466.989 Base-Backbone interact. energy: 0.625 local terms energy: -533.890454 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -136.805 flat angles C4'-P-C4' energy: -117.236 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -80.876 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: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -866.121481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.121481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.121481 (E_RNA) where: Base-Base interactions energy: -421.473 where: short stacking energy: -200.407 Base-Backbone interact. energy: -1.994 local terms energy: -442.653882 where: bonds (distance) C4'-P energy: -138.985 bonds (distance) P-C4' energy: -133.246 flat angles C4'-P-C4' energy: -121.436 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: 15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -717.222223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.222223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.222223 (E_RNA) where: Base-Base interactions energy: -327.431 where: short stacking energy: -207.330 Base-Backbone interact. energy: 0.687 local terms energy: -390.478757 where: bonds (distance) C4'-P energy: -111.012 bonds (distance) P-C4' energy: -139.773 flat angles C4'-P-C4' energy: -90.936 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: 11.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2717.285525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.285525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.285525 (E_RNA) where: Base-Base interactions energy: -1888.398 where: short stacking energy: -734.949 Base-Backbone interact. energy: -6.006 local terms energy: -822.881581 where: bonds (distance) C4'-P energy: -148.080 bonds (distance) P-C4' energy: -174.731 flat angles C4'-P-C4' energy: -173.926 flat angles P-C4'-P energy: -113.849 tors. eta vs tors. theta energy: -212.296 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: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2620.963613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.963613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.963613 (E_RNA) where: Base-Base interactions energy: -1786.686 where: short stacking energy: -786.295 Base-Backbone interact. energy: -4.329 local terms energy: -829.948557 where: bonds (distance) C4'-P energy: -144.011 bonds (distance) P-C4' energy: -152.618 flat angles C4'-P-C4' energy: -182.019 flat angles P-C4'-P energy: -115.643 tors. eta vs tors. theta energy: -235.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2440.399316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.399316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.399316 (E_RNA) where: Base-Base interactions energy: -1698.460 where: short stacking energy: -689.711 Base-Backbone interact. energy: 5.295 local terms energy: -747.234807 where: bonds (distance) C4'-P energy: -139.712 bonds (distance) P-C4' energy: -143.229 flat angles C4'-P-C4' energy: -165.712 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -191.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2426.034002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.034002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.034002 (E_RNA) where: Base-Base interactions energy: -1673.715 where: short stacking energy: -702.070 Base-Backbone interact. energy: -2.867 local terms energy: -749.451911 where: bonds (distance) C4'-P energy: -136.705 bonds (distance) P-C4' energy: -137.308 flat angles C4'-P-C4' energy: -155.233 flat angles P-C4'-P energy: -117.789 tors. eta vs tors. theta energy: -202.417 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2208.006270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.006270 (E_RNA) where: Base-Base interactions energy: -1494.666 where: short stacking energy: -654.345 Base-Backbone interact. energy: 5.477 local terms energy: -718.817647 where: bonds (distance) C4'-P energy: -142.309 bonds (distance) P-C4' energy: -122.298 flat angles C4'-P-C4' energy: -158.665 flat angles P-C4'-P energy: -109.750 tors. eta vs tors. theta energy: -185.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2066.049299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.049299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.049299 (E_RNA) where: Base-Base interactions energy: -1436.703 where: short stacking energy: -585.664 Base-Backbone interact. energy: -3.713 local terms energy: -625.632664 where: bonds (distance) C4'-P energy: -120.938 bonds (distance) P-C4' energy: -118.414 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -151.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1755.883428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.883428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.883428 (E_RNA) where: Base-Base interactions energy: -1155.327 where: short stacking energy: -533.943 Base-Backbone interact. energy: 1.752 local terms energy: -602.308105 where: bonds (distance) C4'-P energy: -119.729 bonds (distance) P-C4' energy: -131.232 flat angles C4'-P-C4' energy: -152.053 flat angles P-C4'-P energy: -82.095 tors. eta vs tors. theta energy: -117.199 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: 303 Temperature: 1.250000 Total energy: -1587.798345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.798345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.798345 (E_RNA) where: Base-Base interactions energy: -1026.355 where: short stacking energy: -478.904 Base-Backbone interact. energy: -3.573 local terms energy: -557.870897 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -135.990 flat angles C4'-P-C4' energy: -125.474 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -105.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -802.366667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.366667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.366667 (E_RNA) where: Base-Base interactions energy: -404.599 where: short stacking energy: -225.276 Base-Backbone interact. energy: -3.843 local terms energy: -393.924375 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -118.067 flat angles C4'-P-C4' energy: -124.045 flat angles P-C4'-P energy: -40.811 tors. eta vs tors. theta energy: 16.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -733.676581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.676581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.676581 (E_RNA) where: Base-Base interactions energy: -361.066 where: short stacking energy: -211.813 Base-Backbone interact. energy: 5.553 local terms energy: -378.163262 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -58.771 tors. eta vs tors. theta energy: 14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2702.809316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.809316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.809316 (E_RNA) where: Base-Base interactions energy: -1916.687 where: short stacking energy: -785.160 Base-Backbone interact. energy: -2.113 local terms energy: -784.009190 where: bonds (distance) C4'-P energy: -142.398 bonds (distance) P-C4' energy: -148.697 flat angles C4'-P-C4' energy: -167.191 flat angles P-C4'-P energy: -115.656 tors. eta vs tors. theta energy: -210.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2633.234352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.234352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.234352 (E_RNA) where: Base-Base interactions energy: -1808.326 where: short stacking energy: -803.477 Base-Backbone interact. energy: -3.279 local terms energy: -821.629621 where: bonds (distance) C4'-P energy: -146.018 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -174.834 flat angles P-C4'-P energy: -123.774 tors. eta vs tors. theta energy: -240.331 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: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2459.573020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.573020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.573020 (E_RNA) where: Base-Base interactions energy: -1720.820 where: short stacking energy: -710.500 Base-Backbone interact. energy: -1.565 local terms energy: -737.187657 where: bonds (distance) C4'-P energy: -146.290 bonds (distance) P-C4' energy: -129.124 flat angles C4'-P-C4' energy: -167.761 flat angles P-C4'-P energy: -95.790 tors. eta vs tors. theta energy: -198.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2379.284266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.284266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.284266 (E_RNA) where: Base-Base interactions energy: -1614.590 where: short stacking energy: -698.507 Base-Backbone interact. energy: -1.846 local terms energy: -762.848656 where: bonds (distance) C4'-P energy: -134.664 bonds (distance) P-C4' energy: -153.877 flat angles C4'-P-C4' energy: -160.833 flat angles P-C4'-P energy: -124.750 tors. eta vs tors. theta energy: -188.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2222.550461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.550461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.550461 (E_RNA) where: Base-Base interactions energy: -1505.496 where: short stacking energy: -661.573 Base-Backbone interact. energy: -3.460 local terms energy: -713.594611 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -136.140 flat angles C4'-P-C4' energy: -154.634 flat angles P-C4'-P energy: -88.364 tors. eta vs tors. theta energy: -186.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2096.141930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.141930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.141930 (E_RNA) where: Base-Base interactions energy: -1406.509 where: short stacking energy: -568.771 Base-Backbone interact. energy: -3.930 local terms energy: -685.702510 where: bonds (distance) C4'-P energy: -148.750 bonds (distance) P-C4' energy: -130.456 flat angles C4'-P-C4' energy: -158.429 flat angles P-C4'-P energy: -92.444 tors. eta vs tors. theta energy: -155.623 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: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1783.078315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.078315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.078315 (E_RNA) where: Base-Base interactions energy: -1215.071 where: short stacking energy: -519.336 Base-Backbone interact. energy: 0.612 local terms energy: -568.618847 where: bonds (distance) C4'-P energy: -115.249 bonds (distance) P-C4' energy: -116.258 flat angles C4'-P-C4' energy: -128.769 flat angles P-C4'-P energy: -92.785 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: 304 Temperature: 1.250000 Total energy: -1508.948287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.948287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.948287 (E_RNA) where: Base-Base interactions energy: -985.812 where: short stacking energy: -427.616 Base-Backbone interact. energy: -2.307 local terms energy: -520.829305 where: bonds (distance) C4'-P energy: -100.151 bonds (distance) P-C4' energy: -122.356 flat angles C4'-P-C4' energy: -143.265 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -76.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -836.889162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.889162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.889162 (E_RNA) where: Base-Base interactions energy: -396.531 where: short stacking energy: -252.998 Base-Backbone interact. energy: -0.242 local terms energy: -440.116241 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -117.008 flat angles C4'-P-C4' energy: -117.204 flat angles P-C4'-P energy: -66.446 tors. eta vs tors. theta energy: -3.303 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: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -759.221278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.221278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.221278 (E_RNA) where: Base-Base interactions energy: -337.078 where: short stacking energy: -221.361 Base-Backbone interact. energy: 4.881 local terms energy: -427.024367 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -125.274 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -69.600 tors. eta vs tors. theta energy: 10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2715.965106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.965106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.965106 (E_RNA) where: Base-Base interactions energy: -1899.661 where: short stacking energy: -731.073 Base-Backbone interact. energy: -2.642 local terms energy: -813.661815 where: bonds (distance) C4'-P energy: -143.489 bonds (distance) P-C4' energy: -157.308 flat angles C4'-P-C4' energy: -176.182 flat angles P-C4'-P energy: -120.900 tors. eta vs tors. theta energy: -215.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2607.614893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.614893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.614893 (E_RNA) where: Base-Base interactions energy: -1774.084 where: short stacking energy: -797.339 Base-Backbone interact. energy: -7.662 local terms energy: -825.868795 where: bonds (distance) C4'-P energy: -145.857 bonds (distance) P-C4' energy: -145.265 flat angles C4'-P-C4' energy: -167.522 flat angles P-C4'-P energy: -120.883 tors. eta vs tors. theta energy: -246.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2455.724470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.724470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.724470 (E_RNA) where: Base-Base interactions energy: -1730.592 where: short stacking energy: -700.492 Base-Backbone interact. energy: -0.434 local terms energy: -724.698556 where: bonds (distance) C4'-P energy: -133.434 bonds (distance) P-C4' energy: -146.485 flat angles C4'-P-C4' energy: -163.881 flat angles P-C4'-P energy: -100.733 tors. eta vs tors. theta energy: -180.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2385.297931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.297931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.297931 (E_RNA) where: Base-Base interactions energy: -1633.430 where: short stacking energy: -704.605 Base-Backbone interact. energy: -1.693 local terms energy: -750.174958 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -147.441 flat angles C4'-P-C4' energy: -153.463 flat angles P-C4'-P energy: -110.397 tors. eta vs tors. theta energy: -207.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2237.215041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.215041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.215041 (E_RNA) where: Base-Base interactions energy: -1515.385 where: short stacking energy: -651.157 Base-Backbone interact. energy: -0.520 local terms energy: -721.310419 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -145.199 flat angles C4'-P-C4' energy: -162.575 flat angles P-C4'-P energy: -118.864 tors. eta vs tors. theta energy: -173.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2079.437023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.437023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.437023 (E_RNA) where: Base-Base interactions energy: -1407.654 where: short stacking energy: -589.309 Base-Backbone interact. energy: -3.856 local terms energy: -667.926885 where: bonds (distance) C4'-P energy: -129.552 bonds (distance) P-C4' energy: -147.924 flat angles C4'-P-C4' energy: -129.142 flat angles P-C4'-P energy: -106.753 tors. eta vs tors. theta energy: -154.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1675.862697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.862697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.862697 (E_RNA) where: Base-Base interactions energy: -1119.390 where: short stacking energy: -472.774 Base-Backbone interact. energy: 2.712 local terms energy: -559.185250 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -116.597 flat angles C4'-P-C4' energy: -143.600 flat angles P-C4'-P energy: -78.255 tors. eta vs tors. theta energy: -107.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1577.221035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.221035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.221035 (E_RNA) where: Base-Base interactions energy: -1021.215 where: short stacking energy: -459.056 Base-Backbone interact. energy: 3.471 local terms energy: -559.477630 where: bonds (distance) C4'-P energy: -107.757 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -134.270 flat angles P-C4'-P energy: -89.648 tors. eta vs tors. theta energy: -89.464 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: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -837.735125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.735125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.735125 (E_RNA) where: Base-Base interactions energy: -394.737 where: short stacking energy: -224.686 Base-Backbone interact. energy: 1.720 local terms energy: -444.718103 where: bonds (distance) C4'-P energy: -140.787 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -117.759 flat angles P-C4'-P energy: -58.117 tors. eta vs tors. theta energy: 8.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -706.306031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.306031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.306031 (E_RNA) where: Base-Base interactions energy: -303.375 where: short stacking energy: -199.553 Base-Backbone interact. energy: 4.432 local terms energy: -407.363397 where: bonds (distance) C4'-P energy: -112.052 bonds (distance) P-C4' energy: -125.840 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: 3.701 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: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2715.128105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.128105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.128105 (E_RNA) where: Base-Base interactions energy: -1905.313 where: short stacking energy: -762.212 Base-Backbone interact. energy: -5.718 local terms energy: -804.097018 where: bonds (distance) C4'-P energy: -148.285 bonds (distance) P-C4' energy: -160.744 flat angles C4'-P-C4' energy: -181.590 flat angles P-C4'-P energy: -111.331 tors. eta vs tors. theta energy: -202.147 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: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2615.711841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.711841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.711841 (E_RNA) where: Base-Base interactions energy: -1811.971 where: short stacking energy: -788.517 Base-Backbone interact. energy: -4.094 local terms energy: -799.647424 where: bonds (distance) C4'-P energy: -148.145 bonds (distance) P-C4' energy: -140.350 flat angles C4'-P-C4' energy: -170.394 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -228.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2443.294218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.294218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.294218 (E_RNA) where: Base-Base interactions energy: -1694.637 where: short stacking energy: -671.284 Base-Backbone interact. energy: -4.214 local terms energy: -744.443407 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -150.058 flat angles C4'-P-C4' energy: -161.831 flat angles P-C4'-P energy: -109.329 tors. eta vs tors. theta energy: -173.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2382.141142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.141142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.141142 (E_RNA) where: Base-Base interactions energy: -1585.397 where: short stacking energy: -708.207 Base-Backbone interact. energy: -4.465 local terms energy: -792.279064 where: bonds (distance) C4'-P energy: -134.582 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -159.778 flat angles P-C4'-P energy: -126.506 tors. eta vs tors. theta energy: -209.482 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: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2199.436769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.436769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.436769 (E_RNA) where: Base-Base interactions energy: -1493.059 where: short stacking energy: -625.413 Base-Backbone interact. energy: 2.806 local terms energy: -709.183550 where: bonds (distance) C4'-P energy: -131.170 bonds (distance) P-C4' energy: -119.478 flat angles C4'-P-C4' energy: -168.823 flat angles P-C4'-P energy: -103.195 tors. eta vs tors. theta energy: -186.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2123.393948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.393948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.393948 (E_RNA) where: Base-Base interactions energy: -1445.906 where: short stacking energy: -579.581 Base-Backbone interact. energy: -3.023 local terms energy: -674.464904 where: bonds (distance) C4'-P energy: -132.692 bonds (distance) P-C4' energy: -146.286 flat angles C4'-P-C4' energy: -145.693 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -159.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1735.093676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.093676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.093676 (E_RNA) where: Base-Base interactions energy: -1138.293 where: short stacking energy: -508.837 Base-Backbone interact. energy: -3.360 local terms energy: -593.441098 where: bonds (distance) C4'-P energy: -113.206 bonds (distance) P-C4' energy: -132.521 flat angles C4'-P-C4' energy: -140.377 flat angles P-C4'-P energy: -93.643 tors. eta vs tors. theta energy: -113.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1664.927379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.927379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.927379 (E_RNA) where: Base-Base interactions energy: -1103.802 where: short stacking energy: -495.910 Base-Backbone interact. energy: -1.339 local terms energy: -559.785896 where: bonds (distance) C4'-P energy: -116.815 bonds (distance) P-C4' energy: -127.910 flat angles C4'-P-C4' energy: -125.153 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -110.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -865.830626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.830626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.830626 (E_RNA) where: Base-Base interactions energy: -429.934 where: short stacking energy: -259.608 Base-Backbone interact. energy: 0.929 local terms energy: -436.825599 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -118.830 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: 7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -715.829614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.829614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.829614 (E_RNA) where: Base-Base interactions energy: -308.209 where: short stacking energy: -205.193 Base-Backbone interact. energy: -1.988 local terms energy: -405.633289 where: bonds (distance) C4'-P energy: -131.380 bonds (distance) P-C4' energy: -120.695 flat angles C4'-P-C4' energy: -116.001 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: 12.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2703.617903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.617903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.617903 (E_RNA) where: Base-Base interactions energy: -1876.898 where: short stacking energy: -763.205 Base-Backbone interact. energy: -6.714 local terms energy: -820.005312 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -169.931 flat angles P-C4'-P energy: -123.925 tors. eta vs tors. theta energy: -213.057 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: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2640.359762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.359762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.359762 (E_RNA) where: Base-Base interactions energy: -1789.003 where: short stacking energy: -794.718 Base-Backbone interact. energy: -3.379 local terms energy: -847.977748 where: bonds (distance) C4'-P energy: -145.798 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -183.086 flat angles P-C4'-P energy: -126.858 tors. eta vs tors. theta energy: -250.051 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2432.387992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.387992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.387992 (E_RNA) where: Base-Base interactions energy: -1676.938 where: short stacking energy: -690.634 Base-Backbone interact. energy: 1.705 local terms energy: -757.155229 where: bonds (distance) C4'-P energy: -157.361 bonds (distance) P-C4' energy: -151.969 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -92.827 tors. eta vs tors. theta energy: -188.355 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: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2380.188904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.188904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.188904 (E_RNA) where: Base-Base interactions energy: -1656.312 where: short stacking energy: -716.090 Base-Backbone interact. energy: -2.840 local terms energy: -721.036601 where: bonds (distance) C4'-P energy: -130.463 bonds (distance) P-C4' energy: -137.229 flat angles C4'-P-C4' energy: -157.922 flat angles P-C4'-P energy: -89.603 tors. eta vs tors. theta energy: -205.819 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2225.643026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.643026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.643026 (E_RNA) where: Base-Base interactions energy: -1540.591 where: short stacking energy: -695.583 Base-Backbone interact. energy: -2.352 local terms energy: -682.700041 where: bonds (distance) C4'-P energy: -125.008 bonds (distance) P-C4' energy: -130.842 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -96.370 tors. eta vs tors. theta energy: -188.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2109.143539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.143539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.143539 (E_RNA) where: Base-Base interactions energy: -1458.910 where: short stacking energy: -583.609 Base-Backbone interact. energy: -2.438 local terms energy: -647.795846 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -128.460 flat angles C4'-P-C4' energy: -138.312 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -150.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1713.880105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.880105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.880105 (E_RNA) where: Base-Base interactions energy: -1144.670 where: short stacking energy: -497.866 Base-Backbone interact. energy: 0.173 local terms energy: -569.382734 where: bonds (distance) C4'-P energy: -125.990 bonds (distance) P-C4' energy: -138.153 flat angles C4'-P-C4' energy: -133.126 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -91.727 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1680.220467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.220467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.220467 (E_RNA) where: Base-Base interactions energy: -1103.692 where: short stacking energy: -479.333 Base-Backbone interact. energy: -1.140 local terms energy: -575.388476 where: bonds (distance) C4'-P energy: -116.913 bonds (distance) P-C4' energy: -120.826 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -99.016 tors. eta vs tors. theta energy: -100.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -802.909965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.909965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.909965 (E_RNA) where: Base-Base interactions energy: -380.773 where: short stacking energy: -220.102 Base-Backbone interact. energy: -3.292 local terms energy: -418.845177 where: bonds (distance) C4'-P energy: -115.214 bonds (distance) P-C4' energy: -134.493 flat angles C4'-P-C4' energy: -125.998 flat angles P-C4'-P energy: -61.798 tors. eta vs tors. theta energy: 18.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -707.248667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.248667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.248667 (E_RNA) where: Base-Base interactions energy: -304.029 where: short stacking energy: -203.600 Base-Backbone interact. energy: 2.731 local terms energy: -405.950622 where: bonds (distance) C4'-P energy: -111.102 bonds (distance) P-C4' energy: -146.075 flat angles C4'-P-C4' energy: -115.674 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: 22.261 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: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2732.377374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.377374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.377374 (E_RNA) where: Base-Base interactions energy: -1911.154 where: short stacking energy: -759.292 Base-Backbone interact. energy: -6.166 local terms energy: -815.057782 where: bonds (distance) C4'-P energy: -167.790 bonds (distance) P-C4' energy: -151.888 flat angles C4'-P-C4' energy: -169.572 flat angles P-C4'-P energy: -115.475 tors. eta vs tors. theta energy: -210.332 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: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2647.129619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.129619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.129619 (E_RNA) where: Base-Base interactions energy: -1812.076 where: short stacking energy: -820.598 Base-Backbone interact. energy: -1.815 local terms energy: -833.238484 where: bonds (distance) C4'-P energy: -145.402 bonds (distance) P-C4' energy: -152.681 flat angles C4'-P-C4' energy: -182.393 flat angles P-C4'-P energy: -111.866 tors. eta vs tors. theta energy: -240.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2455.358458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.358458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.358458 (E_RNA) where: Base-Base interactions energy: -1700.953 where: short stacking energy: -668.957 Base-Backbone interact. energy: -3.199 local terms energy: -751.206068 where: bonds (distance) C4'-P energy: -150.888 bonds (distance) P-C4' energy: -144.515 flat angles C4'-P-C4' energy: -162.241 flat angles P-C4'-P energy: -116.254 tors. eta vs tors. theta energy: -177.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2407.896963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.896963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.896963 (E_RNA) where: Base-Base interactions energy: -1645.358 where: short stacking energy: -719.163 Base-Backbone interact. energy: -2.377 local terms energy: -760.161278 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -134.342 flat angles C4'-P-C4' energy: -162.133 flat angles P-C4'-P energy: -112.105 tors. eta vs tors. theta energy: -217.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2218.976808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.976808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.976808 (E_RNA) where: Base-Base interactions energy: -1507.956 where: short stacking energy: -679.609 Base-Backbone interact. energy: -2.168 local terms energy: -708.852750 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -145.462 flat angles C4'-P-C4' energy: -151.412 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -188.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2072.022638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.022638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.022638 (E_RNA) where: Base-Base interactions energy: -1415.849 where: short stacking energy: -598.694 Base-Backbone interact. energy: -2.789 local terms energy: -653.385092 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -136.607 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -146.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1676.687006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.687006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.687006 (E_RNA) where: Base-Base interactions energy: -1097.903 where: short stacking energy: -505.360 Base-Backbone interact. energy: 1.472 local terms energy: -580.255681 where: bonds (distance) C4'-P energy: -101.984 bonds (distance) P-C4' energy: -135.566 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -86.520 tors. eta vs tors. theta energy: -120.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1657.761636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.761636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.761636 (E_RNA) where: Base-Base interactions energy: -1084.040 where: short stacking energy: -479.536 Base-Backbone interact. energy: 0.505 local terms energy: -574.226312 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -123.237 flat angles C4'-P-C4' energy: -136.015 flat angles P-C4'-P energy: -97.998 tors. eta vs tors. theta energy: -102.065 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: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -800.003651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.003651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.003651 (E_RNA) where: Base-Base interactions energy: -384.644 where: short stacking energy: -224.021 Base-Backbone interact. energy: -0.269 local terms energy: -415.090649 where: bonds (distance) C4'-P energy: -125.008 bonds (distance) P-C4' energy: -141.592 flat angles C4'-P-C4' energy: -93.093 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -752.725030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.725030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.725030 (E_RNA) where: Base-Base interactions energy: -326.804 where: short stacking energy: -217.513 Base-Backbone interact. energy: 1.737 local terms energy: -427.657304 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -126.976 flat angles C4'-P-C4' energy: -102.954 flat angles P-C4'-P energy: -89.654 tors. eta vs tors. theta energy: 11.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2710.032874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.032874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.032874 (E_RNA) where: Base-Base interactions energy: -1883.114 where: short stacking energy: -762.573 Base-Backbone interact. energy: -1.957 local terms energy: -824.961817 where: bonds (distance) C4'-P energy: -161.472 bonds (distance) P-C4' energy: -163.809 flat angles C4'-P-C4' energy: -164.663 flat angles P-C4'-P energy: -123.152 tors. eta vs tors. theta energy: -211.866 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: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2688.565178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.565178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.565178 (E_RNA) where: Base-Base interactions energy: -1859.351 where: short stacking energy: -851.310 Base-Backbone interact. energy: -2.207 local terms energy: -827.007046 where: bonds (distance) C4'-P energy: -152.476 bonds (distance) P-C4' energy: -146.925 flat angles C4'-P-C4' energy: -174.990 flat angles P-C4'-P energy: -105.653 tors. eta vs tors. theta energy: -246.963 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: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2452.219887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.219887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.219887 (E_RNA) where: Base-Base interactions energy: -1678.977 where: short stacking energy: -696.697 Base-Backbone interact. energy: 0.784 local terms energy: -774.026436 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -165.049 flat angles C4'-P-C4' energy: -173.326 flat angles P-C4'-P energy: -109.046 tors. eta vs tors. theta energy: -179.797 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: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2460.494984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.494984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.494984 (E_RNA) where: Base-Base interactions energy: -1701.584 where: short stacking energy: -735.026 Base-Backbone interact. energy: -4.766 local terms energy: -754.145686 where: bonds (distance) C4'-P energy: -138.939 bonds (distance) P-C4' energy: -144.448 flat angles C4'-P-C4' energy: -151.720 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -210.323 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: 309 Temperature: 1.100000 Total energy: -2265.796236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.796236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.796236 (E_RNA) where: Base-Base interactions energy: -1523.669 where: short stacking energy: -675.389 Base-Backbone interact. energy: -3.584 local terms energy: -738.542804 where: bonds (distance) C4'-P energy: -142.698 bonds (distance) P-C4' energy: -145.306 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -105.778 tors. eta vs tors. theta energy: -188.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2108.198567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.198567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.198567 (E_RNA) where: Base-Base interactions energy: -1455.667 where: short stacking energy: -614.013 Base-Backbone interact. energy: -2.248 local terms energy: -650.283453 where: bonds (distance) C4'-P energy: -134.826 bonds (distance) P-C4' energy: -127.416 flat angles C4'-P-C4' energy: -136.643 flat angles P-C4'-P energy: -87.681 tors. eta vs tors. theta energy: -163.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1706.161290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.161290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.161290 (E_RNA) where: Base-Base interactions energy: -1129.974 where: short stacking energy: -522.771 Base-Backbone interact. energy: 1.353 local terms energy: -577.540494 where: bonds (distance) C4'-P energy: -128.365 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -132.641 flat angles P-C4'-P energy: -84.161 tors. eta vs tors. theta energy: -101.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1576.843648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.843648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.843648 (E_RNA) where: Base-Base interactions energy: -1044.802 where: short stacking energy: -434.909 Base-Backbone interact. energy: -1.604 local terms energy: -530.438039 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -106.268 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -71.521 tors. eta vs tors. theta energy: -97.661 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: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -783.824316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.824316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.824316 (E_RNA) where: Base-Base interactions energy: -355.149 where: short stacking energy: -229.862 Base-Backbone interact. energy: 2.378 local terms energy: -431.053001 where: bonds (distance) C4'-P energy: -109.084 bonds (distance) P-C4' energy: -126.747 flat angles C4'-P-C4' energy: -109.867 flat angles P-C4'-P energy: -85.957 tors. eta vs tors. theta energy: 0.602 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: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -713.561434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.561434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.561434 (E_RNA) where: Base-Base interactions energy: -341.221 where: short stacking energy: -195.046 Base-Backbone interact. energy: 2.435 local terms energy: -374.775098 where: bonds (distance) C4'-P energy: -121.323 bonds (distance) P-C4' energy: -109.302 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: 20.002 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: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2701.049789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.049789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.049789 (E_RNA) where: Base-Base interactions energy: -1864.194 where: short stacking energy: -767.496 Base-Backbone interact. energy: -8.245 local terms energy: -828.610659 where: bonds (distance) C4'-P energy: -159.578 bonds (distance) P-C4' energy: -155.866 flat angles C4'-P-C4' energy: -190.155 flat angles P-C4'-P energy: -101.795 tors. eta vs tors. theta energy: -221.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2701.489787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.489787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.489787 (E_RNA) where: Base-Base interactions energy: -1855.365 where: short stacking energy: -831.552 Base-Backbone interact. energy: -2.877 local terms energy: -843.247727 where: bonds (distance) C4'-P energy: -153.998 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -183.557 flat angles P-C4'-P energy: -115.705 tors. eta vs tors. theta energy: -252.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2460.717516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.717516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.717516 (E_RNA) where: Base-Base interactions energy: -1720.367 where: short stacking energy: -701.355 Base-Backbone interact. energy: -2.048 local terms energy: -738.302739 where: bonds (distance) C4'-P energy: -139.235 bonds (distance) P-C4' energy: -136.672 flat angles C4'-P-C4' energy: -158.735 flat angles P-C4'-P energy: -111.579 tors. eta vs tors. theta energy: -192.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2400.485175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.485175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.485175 (E_RNA) where: Base-Base interactions energy: -1620.618 where: short stacking energy: -704.331 Base-Backbone interact. energy: -1.332 local terms energy: -778.536088 where: bonds (distance) C4'-P energy: -144.219 bonds (distance) P-C4' energy: -150.022 flat angles C4'-P-C4' energy: -170.206 flat angles P-C4'-P energy: -109.485 tors. eta vs tors. theta energy: -204.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2247.041208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.041208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.041208 (E_RNA) where: Base-Base interactions energy: -1524.271 where: short stacking energy: -676.021 Base-Backbone interact. energy: -1.979 local terms energy: -720.791280 where: bonds (distance) C4'-P energy: -123.323 bonds (distance) P-C4' energy: -143.373 flat angles C4'-P-C4' energy: -154.966 flat angles P-C4'-P energy: -107.109 tors. eta vs tors. theta energy: -192.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2087.769048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.769048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.769048 (E_RNA) where: Base-Base interactions energy: -1402.203 where: short stacking energy: -582.075 Base-Backbone interact. energy: -2.585 local terms energy: -682.981106 where: bonds (distance) C4'-P energy: -131.004 bonds (distance) P-C4' energy: -127.799 flat angles C4'-P-C4' energy: -158.345 flat angles P-C4'-P energy: -112.148 tors. eta vs tors. theta energy: -153.685 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1686.926199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.926199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.926199 (E_RNA) where: Base-Base interactions energy: -1111.203 where: short stacking energy: -475.384 Base-Backbone interact. energy: 1.915 local terms energy: -577.638242 where: bonds (distance) C4'-P energy: -129.331 bonds (distance) P-C4' energy: -143.825 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -89.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1584.268177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.268177 (E_RNA) where: Base-Base interactions energy: -1027.867 where: short stacking energy: -448.040 Base-Backbone interact. energy: -2.070 local terms energy: -554.330724 where: bonds (distance) C4'-P energy: -127.664 bonds (distance) P-C4' energy: -119.705 flat angles C4'-P-C4' energy: -128.106 flat angles P-C4'-P energy: -82.864 tors. eta vs tors. theta energy: -95.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -836.637769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.637769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.637769 (E_RNA) where: Base-Base interactions energy: -385.285 where: short stacking energy: -239.595 Base-Backbone interact. energy: -3.131 local terms energy: -448.220824 where: bonds (distance) C4'-P energy: -131.087 bonds (distance) P-C4' energy: -120.788 flat angles C4'-P-C4' energy: -122.087 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: -14.104 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: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -757.345376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.345376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.345376 (E_RNA) where: Base-Base interactions energy: -376.982 where: short stacking energy: -224.160 Base-Backbone interact. energy: 2.133 local terms energy: -382.496364 where: bonds (distance) C4'-P energy: -121.795 bonds (distance) P-C4' energy: -126.205 flat angles C4'-P-C4' energy: -110.004 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: 26.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2685.217885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.217885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.217885 (E_RNA) where: Base-Base interactions energy: -1874.495 where: short stacking energy: -757.558 Base-Backbone interact. energy: -3.540 local terms energy: -807.183000 where: bonds (distance) C4'-P energy: -154.438 bonds (distance) P-C4' energy: -156.891 flat angles C4'-P-C4' energy: -171.373 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -212.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2671.379762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.379762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.379762 (E_RNA) where: Base-Base interactions energy: -1833.251 where: short stacking energy: -824.264 Base-Backbone interact. energy: -3.426 local terms energy: -834.702542 where: bonds (distance) C4'-P energy: -138.767 bonds (distance) P-C4' energy: -140.416 flat angles C4'-P-C4' energy: -184.828 flat angles P-C4'-P energy: -120.718 tors. eta vs tors. theta energy: -249.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2434.937157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.937157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.937157 (E_RNA) where: Base-Base interactions energy: -1668.698 where: short stacking energy: -674.847 Base-Backbone interact. energy: 2.078 local terms energy: -768.316765 where: bonds (distance) C4'-P energy: -143.286 bonds (distance) P-C4' energy: -160.278 flat angles C4'-P-C4' energy: -171.355 flat angles P-C4'-P energy: -110.880 tors. eta vs tors. theta energy: -182.518 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: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2406.430651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.430651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.430651 (E_RNA) where: Base-Base interactions energy: -1651.656 where: short stacking energy: -713.870 Base-Backbone interact. energy: -4.618 local terms energy: -750.155941 where: bonds (distance) C4'-P energy: -137.488 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -153.226 flat angles P-C4'-P energy: -107.583 tors. eta vs tors. theta energy: -206.863 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: 311 Temperature: 1.100000 Total energy: -2244.211069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.211069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.211069 (E_RNA) where: Base-Base interactions energy: -1519.407 where: short stacking energy: -640.822 Base-Backbone interact. energy: -2.429 local terms energy: -722.374902 where: bonds (distance) C4'-P energy: -134.212 bonds (distance) P-C4' energy: -160.343 flat angles C4'-P-C4' energy: -142.568 flat angles P-C4'-P energy: -103.719 tors. eta vs tors. theta energy: -181.533 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: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1986.357383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.357383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.357383 (E_RNA) where: Base-Base interactions energy: -1359.497 where: short stacking energy: -583.122 Base-Backbone interact. energy: -1.920 local terms energy: -624.939924 where: bonds (distance) C4'-P energy: -142.721 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -140.336 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1722.230533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.230533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.230533 (E_RNA) where: Base-Base interactions energy: -1127.141 where: short stacking energy: -495.635 Base-Backbone interact. energy: -1.176 local terms energy: -593.913620 where: bonds (distance) C4'-P energy: -135.689 bonds (distance) P-C4' energy: -141.498 flat angles C4'-P-C4' energy: -133.746 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -103.315 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: 311 Temperature: 1.250000 Total energy: -1505.930743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.930743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.930743 (E_RNA) where: Base-Base interactions energy: -983.729 where: short stacking energy: -437.191 Base-Backbone interact. energy: 4.169 local terms energy: -526.370302 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -122.123 flat angles C4'-P-C4' energy: -131.077 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -73.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -806.378501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.378501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.378501 (E_RNA) where: Base-Base interactions energy: -379.933 where: short stacking energy: -239.660 Base-Backbone interact. energy: -0.111 local terms energy: -426.333828 where: bonds (distance) C4'-P energy: -114.669 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -104.444 flat angles P-C4'-P energy: -81.472 tors. eta vs tors. theta energy: 5.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -729.173090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.173090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.173090 (E_RNA) where: Base-Base interactions energy: -360.898 where: short stacking energy: -196.945 Base-Backbone interact. energy: 1.589 local terms energy: -369.863750 where: bonds (distance) C4'-P energy: -139.841 bonds (distance) P-C4' energy: -125.738 flat angles C4'-P-C4' energy: -79.726 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: 25.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2690.594740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.594740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.594740 (E_RNA) where: Base-Base interactions energy: -1886.030 where: short stacking energy: -760.367 Base-Backbone interact. energy: -7.235 local terms energy: -797.329724 where: bonds (distance) C4'-P energy: -159.189 bonds (distance) P-C4' energy: -116.483 flat angles C4'-P-C4' energy: -183.055 flat angles P-C4'-P energy: -120.228 tors. eta vs tors. theta energy: -218.375 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: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2678.863982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.863982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.863982 (E_RNA) where: Base-Base interactions energy: -1801.810 where: short stacking energy: -812.643 Base-Backbone interact. energy: -4.753 local terms energy: -872.300662 where: bonds (distance) C4'-P energy: -157.881 bonds (distance) P-C4' energy: -155.472 flat angles C4'-P-C4' energy: -176.697 flat angles P-C4'-P energy: -126.218 tors. eta vs tors. theta energy: -256.032 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: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2427.150418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.150418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.150418 (E_RNA) where: Base-Base interactions energy: -1707.263 where: short stacking energy: -685.877 Base-Backbone interact. energy: 1.188 local terms energy: -721.075173 where: bonds (distance) C4'-P energy: -130.923 bonds (distance) P-C4' energy: -153.815 flat angles C4'-P-C4' energy: -155.867 flat angles P-C4'-P energy: -107.154 tors. eta vs tors. theta energy: -173.317 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: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2356.657210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.657210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.657210 (E_RNA) where: Base-Base interactions energy: -1623.869 where: short stacking energy: -708.482 Base-Backbone interact. energy: 3.031 local terms energy: -735.818383 where: bonds (distance) C4'-P energy: -134.430 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -148.676 flat angles P-C4'-P energy: -103.393 tors. eta vs tors. theta energy: -203.932 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: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2261.410489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.410489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.410489 (E_RNA) where: Base-Base interactions energy: -1548.127 where: short stacking energy: -670.432 Base-Backbone interact. energy: 0.618 local terms energy: -713.901957 where: bonds (distance) C4'-P energy: -119.275 bonds (distance) P-C4' energy: -149.524 flat angles C4'-P-C4' energy: -149.974 flat angles P-C4'-P energy: -112.450 tors. eta vs tors. theta energy: -182.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1975.104133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.104133 (E_RNA) where: Base-Base interactions energy: -1337.060 where: short stacking energy: -551.240 Base-Backbone interact. energy: -2.321 local terms energy: -635.723526 where: bonds (distance) C4'-P energy: -120.471 bonds (distance) P-C4' energy: -141.899 flat angles C4'-P-C4' energy: -139.443 flat angles P-C4'-P energy: -100.849 tors. eta vs tors. theta energy: -133.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1724.168787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.168787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.168787 (E_RNA) where: Base-Base interactions energy: -1117.112 where: short stacking energy: -501.019 Base-Backbone interact. energy: 2.446 local terms energy: -609.502767 where: bonds (distance) C4'-P energy: -105.707 bonds (distance) P-C4' energy: -137.931 flat angles C4'-P-C4' energy: -152.872 flat angles P-C4'-P energy: -95.081 tors. eta vs tors. theta energy: -117.911 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: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1515.705130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.705130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.705130 (E_RNA) where: Base-Base interactions energy: -980.558 where: short stacking energy: -417.087 Base-Backbone interact. energy: -0.319 local terms energy: -534.828140 where: bonds (distance) C4'-P energy: -129.231 bonds (distance) P-C4' energy: -125.085 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -64.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -831.902887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.902887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.902887 (E_RNA) where: Base-Base interactions energy: -419.216 where: short stacking energy: -264.730 Base-Backbone interact. energy: -1.730 local terms energy: -410.956042 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -759.785339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.785339 (E_RNA) where: Base-Base interactions energy: -354.575 where: short stacking energy: -229.582 Base-Backbone interact. energy: 1.057 local terms energy: -406.266718 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -101.680 flat angles P-C4'-P energy: -75.737 tors. eta vs tors. theta energy: -9.658 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: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2685.631504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.631504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.631504 (E_RNA) where: Base-Base interactions energy: -1868.704 where: short stacking energy: -770.105 Base-Backbone interact. energy: -4.078 local terms energy: -812.849154 where: bonds (distance) C4'-P energy: -151.338 bonds (distance) P-C4' energy: -156.021 flat angles C4'-P-C4' energy: -188.162 flat angles P-C4'-P energy: -104.386 tors. eta vs tors. theta energy: -212.942 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: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2653.448364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.448364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.448364 (E_RNA) where: Base-Base interactions energy: -1789.281 where: short stacking energy: -758.896 Base-Backbone interact. energy: -2.592 local terms energy: -861.574916 where: bonds (distance) C4'-P energy: -165.279 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -190.275 flat angles P-C4'-P energy: -119.791 tors. eta vs tors. theta energy: -244.783 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: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2411.323993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.323993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.323993 (E_RNA) where: Base-Base interactions energy: -1661.693 where: short stacking energy: -709.630 Base-Backbone interact. energy: -1.863 local terms energy: -747.767710 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -152.557 flat angles C4'-P-C4' energy: -163.762 flat angles P-C4'-P energy: -103.143 tors. eta vs tors. theta energy: -191.930 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: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2414.662239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.662239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.662239 (E_RNA) where: Base-Base interactions energy: -1661.284 where: short stacking energy: -720.711 Base-Backbone interact. energy: -6.161 local terms energy: -747.217719 where: bonds (distance) C4'-P energy: -140.622 bonds (distance) P-C4' energy: -133.146 flat angles C4'-P-C4' energy: -166.234 flat angles P-C4'-P energy: -102.504 tors. eta vs tors. theta energy: -204.712 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: 313 Temperature: 1.100000 Total energy: -2217.778462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.778462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.778462 (E_RNA) where: Base-Base interactions energy: -1521.269 where: short stacking energy: -640.587 Base-Backbone interact. energy: -2.452 local terms energy: -694.057754 where: bonds (distance) C4'-P energy: -133.978 bonds (distance) P-C4' energy: -144.616 flat angles C4'-P-C4' energy: -144.546 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -178.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2056.203677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.203677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.203677 (E_RNA) where: Base-Base interactions energy: -1377.971 where: short stacking energy: -604.746 Base-Backbone interact. energy: -3.179 local terms energy: -675.053525 where: bonds (distance) C4'-P energy: -148.705 bonds (distance) P-C4' energy: -142.867 flat angles C4'-P-C4' energy: -141.156 flat angles P-C4'-P energy: -96.640 tors. eta vs tors. theta energy: -145.684 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: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1736.009147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.009147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.009147 (E_RNA) where: Base-Base interactions energy: -1149.054 where: short stacking energy: -529.802 Base-Backbone interact. energy: 0.132 local terms energy: -587.087205 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -120.212 flat angles C4'-P-C4' energy: -144.875 flat angles P-C4'-P energy: -77.340 tors. eta vs tors. theta energy: -120.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1517.238103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.238103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.238103 (E_RNA) where: Base-Base interactions energy: -981.112 where: short stacking energy: -424.839 Base-Backbone interact. energy: 2.794 local terms energy: -538.920658 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -143.220 flat angles C4'-P-C4' energy: -121.932 flat angles P-C4'-P energy: -75.894 tors. eta vs tors. theta energy: -76.419 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: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -832.632549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.632549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.632549 (E_RNA) where: Base-Base interactions energy: -416.531 where: short stacking energy: -234.025 Base-Backbone interact. energy: 3.478 local terms energy: -419.579376 where: bonds (distance) C4'-P energy: -127.754 bonds (distance) P-C4' energy: -125.224 flat angles C4'-P-C4' energy: -110.629 flat angles P-C4'-P energy: -53.954 tors. eta vs tors. theta energy: -2.018 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: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -819.459313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.459313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.459313 (E_RNA) where: Base-Base interactions energy: -395.257 where: short stacking energy: -233.267 Base-Backbone interact. energy: 0.930 local terms energy: -425.132795 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -126.165 flat angles C4'-P-C4' energy: -99.220 flat angles P-C4'-P energy: -58.574 tors. eta vs tors. theta energy: -12.422 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2676.228105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.228105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.228105 (E_RNA) where: Base-Base interactions energy: -1857.879 where: short stacking energy: -746.286 Base-Backbone interact. energy: -7.053 local terms energy: -811.296176 where: bonds (distance) C4'-P energy: -146.403 bonds (distance) P-C4' energy: -155.792 flat angles C4'-P-C4' energy: -171.647 flat angles P-C4'-P energy: -121.911 tors. eta vs tors. theta energy: -215.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2628.306528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.306528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.306528 (E_RNA) where: Base-Base interactions energy: -1758.945 where: short stacking energy: -785.995 Base-Backbone interact. energy: -1.973 local terms energy: -867.388749 where: bonds (distance) C4'-P energy: -161.895 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -173.258 flat angles P-C4'-P energy: -115.553 tors. eta vs tors. theta energy: -252.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2468.115181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.115181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.115181 (E_RNA) where: Base-Base interactions energy: -1668.212 where: short stacking energy: -728.535 Base-Backbone interact. energy: -2.131 local terms energy: -797.772151 where: bonds (distance) C4'-P energy: -140.524 bonds (distance) P-C4' energy: -149.398 flat angles C4'-P-C4' energy: -172.402 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -220.741 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2357.507791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.507791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.507791 (E_RNA) where: Base-Base interactions energy: -1648.812 where: short stacking energy: -658.868 Base-Backbone interact. energy: -1.378 local terms energy: -707.317142 where: bonds (distance) C4'-P energy: -140.608 bonds (distance) P-C4' energy: -135.078 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -104.812 tors. eta vs tors. theta energy: -175.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2193.266941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.266941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.266941 (E_RNA) where: Base-Base interactions energy: -1520.751 where: short stacking energy: -663.218 Base-Backbone interact. energy: -4.174 local terms energy: -668.341119 where: bonds (distance) C4'-P energy: -135.746 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -142.929 flat angles P-C4'-P energy: -89.265 tors. eta vs tors. theta energy: -169.733 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2088.334728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.334728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.334728 (E_RNA) where: Base-Base interactions energy: -1426.259 where: short stacking energy: -604.062 Base-Backbone interact. energy: -3.157 local terms energy: -658.919413 where: bonds (distance) C4'-P energy: -144.088 bonds (distance) P-C4' energy: -122.473 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -145.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1773.097911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.097911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.097911 (E_RNA) where: Base-Base interactions energy: -1159.389 where: short stacking energy: -529.833 Base-Backbone interact. energy: 0.402 local terms energy: -614.110113 where: bonds (distance) C4'-P energy: -140.793 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -129.250 flat angles P-C4'-P energy: -91.181 tors. eta vs tors. theta energy: -114.494 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1511.937208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.937208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.937208 (E_RNA) where: Base-Base interactions energy: -984.549 where: short stacking energy: -437.250 Base-Backbone interact. energy: 4.766 local terms energy: -532.154297 where: bonds (distance) C4'-P energy: -116.415 bonds (distance) P-C4' energy: -124.444 flat angles C4'-P-C4' energy: -142.788 flat angles P-C4'-P energy: -66.572 tors. eta vs tors. theta energy: -81.935 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: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -862.445550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.445550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.445550 (E_RNA) where: Base-Base interactions energy: -428.514 where: short stacking energy: -254.748 Base-Backbone interact. energy: 1.403 local terms energy: -435.334244 where: bonds (distance) C4'-P energy: -121.520 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -855.647659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.647659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.647659 (E_RNA) where: Base-Base interactions energy: -447.053 where: short stacking energy: -212.679 Base-Backbone interact. energy: -1.951 local terms energy: -406.643612 where: bonds (distance) C4'-P energy: -126.176 bonds (distance) P-C4' energy: -113.576 flat angles C4'-P-C4' energy: -120.302 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: 11.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2675.121772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.121772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.121772 (E_RNA) where: Base-Base interactions energy: -1851.734 where: short stacking energy: -742.846 Base-Backbone interact. energy: -2.588 local terms energy: -820.800352 where: bonds (distance) C4'-P energy: -155.119 bonds (distance) P-C4' energy: -170.822 flat angles C4'-P-C4' energy: -172.916 flat angles P-C4'-P energy: -112.174 tors. eta vs tors. theta energy: -209.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2619.292713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.292713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.292713 (E_RNA) where: Base-Base interactions energy: -1776.142 where: short stacking energy: -788.700 Base-Backbone interact. energy: -3.253 local terms energy: -839.897511 where: bonds (distance) C4'-P energy: -143.941 bonds (distance) P-C4' energy: -148.445 flat angles C4'-P-C4' energy: -184.264 flat angles P-C4'-P energy: -116.788 tors. eta vs tors. theta energy: -246.460 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: 3, replica: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2456.116467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.116467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.116467 (E_RNA) where: Base-Base interactions energy: -1694.373 where: short stacking energy: -727.669 Base-Backbone interact. energy: -3.316 local terms energy: -758.427328 where: bonds (distance) C4'-P energy: -135.705 bonds (distance) P-C4' energy: -143.800 flat angles C4'-P-C4' energy: -153.866 flat angles P-C4'-P energy: -113.230 tors. eta vs tors. theta energy: -211.826 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2375.822735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.822735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.822735 (E_RNA) where: Base-Base interactions energy: -1661.071 where: short stacking energy: -676.811 Base-Backbone interact. energy: 3.031 local terms energy: -717.782759 where: bonds (distance) C4'-P energy: -129.268 bonds (distance) P-C4' energy: -164.099 flat angles C4'-P-C4' energy: -139.514 flat angles P-C4'-P energy: -107.426 tors. eta vs tors. theta energy: -177.476 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: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2211.583571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.583571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.583571 (E_RNA) where: Base-Base interactions energy: -1526.277 where: short stacking energy: -663.318 Base-Backbone interact. energy: 2.447 local terms energy: -687.754004 where: bonds (distance) C4'-P energy: -130.692 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -153.666 flat angles P-C4'-P energy: -95.086 tors. eta vs tors. theta energy: -187.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2044.351761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.351761 (E_RNA) where: Base-Base interactions energy: -1387.039 where: short stacking energy: -561.861 Base-Backbone interact. energy: -2.004 local terms energy: -655.309028 where: bonds (distance) C4'-P energy: -139.722 bonds (distance) P-C4' energy: -139.317 flat angles C4'-P-C4' energy: -146.744 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -141.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1835.698125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.698125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.698125 (E_RNA) where: Base-Base interactions energy: -1231.936 where: short stacking energy: -536.436 Base-Backbone interact. energy: -1.412 local terms energy: -602.349914 where: bonds (distance) C4'-P energy: -111.708 bonds (distance) P-C4' energy: -125.791 flat angles C4'-P-C4' energy: -142.196 flat angles P-C4'-P energy: -87.480 tors. eta vs tors. theta energy: -135.174 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: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1443.719575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.719575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.719575 (E_RNA) where: Base-Base interactions energy: -925.099 where: short stacking energy: -386.585 Base-Backbone interact. energy: -0.284 local terms energy: -518.336144 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -151.432 flat angles C4'-P-C4' energy: -131.575 flat angles P-C4'-P energy: -81.734 tors. eta vs tors. theta energy: -56.955 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: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -866.973878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.973878 (E_RNA) where: Base-Base interactions energy: -451.941 where: short stacking energy: -243.103 Base-Backbone interact. energy: 2.081 local terms energy: -417.113756 where: bonds (distance) C4'-P energy: -102.180 bonds (distance) P-C4' energy: -122.434 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -80.085 tors. eta vs tors. theta energy: 4.762 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: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -765.630438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.630438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.630438 (E_RNA) where: Base-Base interactions energy: -356.022 where: short stacking energy: -218.133 Base-Backbone interact. energy: 2.091 local terms energy: -411.699727 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -147.108 flat angles C4'-P-C4' energy: -99.645 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: 12.740 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: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2675.789200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.789200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.789200 (E_RNA) where: Base-Base interactions energy: -1846.557 where: short stacking energy: -753.324 Base-Backbone interact. energy: -5.226 local terms energy: -824.006297 where: bonds (distance) C4'-P energy: -150.545 bonds (distance) P-C4' energy: -167.851 flat angles C4'-P-C4' energy: -182.756 flat angles P-C4'-P energy: -110.980 tors. eta vs tors. theta energy: -211.874 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: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2632.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.404721 (E_RNA) where: Base-Base interactions energy: -1790.641 where: short stacking energy: -811.161 Base-Backbone interact. energy: -0.991 local terms energy: -840.772693 where: bonds (distance) C4'-P energy: -139.738 bonds (distance) P-C4' energy: -156.923 flat angles C4'-P-C4' energy: -181.927 flat angles P-C4'-P energy: -108.053 tors. eta vs tors. theta energy: -254.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2448.970478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.970478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.970478 (E_RNA) where: Base-Base interactions energy: -1702.328 where: short stacking energy: -712.634 Base-Backbone interact. energy: 0.857 local terms energy: -747.499498 where: bonds (distance) C4'-P energy: -136.605 bonds (distance) P-C4' energy: -150.154 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -117.685 tors. eta vs tors. theta energy: -185.048 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: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2356.540032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.540032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.540032 (E_RNA) where: Base-Base interactions energy: -1630.775 where: short stacking energy: -717.280 Base-Backbone interact. energy: -1.623 local terms energy: -724.141463 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -122.092 flat angles C4'-P-C4' energy: -159.819 flat angles P-C4'-P energy: -93.183 tors. eta vs tors. theta energy: -211.136 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: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2204.881111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.881111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.881111 (E_RNA) where: Base-Base interactions energy: -1516.116 where: short stacking energy: -662.373 Base-Backbone interact. energy: -1.860 local terms energy: -686.905259 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -135.537 flat angles C4'-P-C4' energy: -152.246 flat angles P-C4'-P energy: -103.053 tors. eta vs tors. theta energy: -174.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2038.695189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.695189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.695189 (E_RNA) where: Base-Base interactions energy: -1380.505 where: short stacking energy: -585.653 Base-Backbone interact. energy: 0.065 local terms energy: -658.255288 where: bonds (distance) C4'-P energy: -127.486 bonds (distance) P-C4' energy: -134.198 flat angles C4'-P-C4' energy: -147.887 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -148.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1853.357956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.357956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.357956 (E_RNA) where: Base-Base interactions energy: -1240.907 where: short stacking energy: -533.534 Base-Backbone interact. energy: 10.265 local terms energy: -622.716813 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -142.985 flat angles C4'-P-C4' energy: -139.842 flat angles P-C4'-P energy: -77.338 tors. eta vs tors. theta energy: -125.686 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: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1450.727252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.727252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.727252 (E_RNA) where: Base-Base interactions energy: -916.070 where: short stacking energy: -409.712 Base-Backbone interact. energy: -1.208 local terms energy: -533.449305 where: bonds (distance) C4'-P energy: -129.902 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -118.464 flat angles P-C4'-P energy: -68.680 tors. eta vs tors. theta energy: -74.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -880.490400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.490400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.490400 (E_RNA) where: Base-Base interactions energy: -406.981 where: short stacking energy: -224.615 Base-Backbone interact. energy: 2.779 local terms energy: -476.288089 where: bonds (distance) C4'-P energy: -141.099 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -119.310 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: 4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -763.918800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.918800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.918800 (E_RNA) where: Base-Base interactions energy: -370.212 where: short stacking energy: -200.131 Base-Backbone interact. energy: -1.070 local terms energy: -392.637243 where: bonds (distance) C4'-P energy: -134.724 bonds (distance) P-C4' energy: -133.368 flat angles C4'-P-C4' energy: -103.088 flat angles P-C4'-P energy: -63.219 tors. eta vs tors. theta energy: 41.762 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: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2689.601487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.601487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.601487 (E_RNA) where: Base-Base interactions energy: -1866.141 where: short stacking energy: -763.019 Base-Backbone interact. energy: -1.580 local terms energy: -821.880403 where: bonds (distance) C4'-P energy: -145.618 bonds (distance) P-C4' energy: -158.449 flat angles C4'-P-C4' energy: -179.843 flat angles P-C4'-P energy: -108.843 tors. eta vs tors. theta energy: -229.127 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: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2616.161520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.161520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.161520 (E_RNA) where: Base-Base interactions energy: -1787.349 where: short stacking energy: -823.486 Base-Backbone interact. energy: -0.043 local terms energy: -828.769274 where: bonds (distance) C4'-P energy: -131.685 bonds (distance) P-C4' energy: -153.195 flat angles C4'-P-C4' energy: -182.462 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -254.822 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: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2513.349095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.349095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.349095 (E_RNA) where: Base-Base interactions energy: -1732.436 where: short stacking energy: -698.757 Base-Backbone interact. energy: 0.461 local terms energy: -781.374283 where: bonds (distance) C4'-P energy: -150.700 bonds (distance) P-C4' energy: -151.429 flat angles C4'-P-C4' energy: -181.704 flat angles P-C4'-P energy: -110.435 tors. eta vs tors. theta energy: -187.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2348.960595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.960595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.960595 (E_RNA) where: Base-Base interactions energy: -1622.235 where: short stacking energy: -680.193 Base-Backbone interact. energy: -1.200 local terms energy: -725.525449 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -142.050 flat angles C4'-P-C4' energy: -152.326 flat angles P-C4'-P energy: -117.690 tors. eta vs tors. theta energy: -183.774 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: 317 Temperature: 1.100000 Total energy: -2233.228219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.228219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.228219 (E_RNA) where: Base-Base interactions energy: -1540.309 where: short stacking energy: -687.328 Base-Backbone interact. energy: 0.262 local terms energy: -693.181429 where: bonds (distance) C4'-P energy: -122.438 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -148.192 flat angles P-C4'-P energy: -87.081 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: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2055.194231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.194231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.194231 (E_RNA) where: Base-Base interactions energy: -1385.140 where: short stacking energy: -594.419 Base-Backbone interact. energy: 4.330 local terms energy: -674.383959 where: bonds (distance) C4'-P energy: -134.254 bonds (distance) P-C4' energy: -134.272 flat angles C4'-P-C4' energy: -154.659 flat angles P-C4'-P energy: -92.374 tors. eta vs tors. theta energy: -158.825 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: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1825.367711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.367711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.367711 (E_RNA) where: Base-Base interactions energy: -1190.330 where: short stacking energy: -539.494 Base-Backbone interact. energy: -0.733 local terms energy: -634.305475 where: bonds (distance) C4'-P energy: -135.991 bonds (distance) P-C4' energy: -138.951 flat angles C4'-P-C4' energy: -151.771 flat angles P-C4'-P energy: -80.665 tors. eta vs tors. theta energy: -126.927 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: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1498.515563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.515563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.515563 (E_RNA) where: Base-Base interactions energy: -955.036 where: short stacking energy: -452.571 Base-Backbone interact. energy: 3.206 local terms energy: -546.686229 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -125.055 flat angles C4'-P-C4' energy: -128.920 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -94.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -830.781079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.781079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.781079 (E_RNA) where: Base-Base interactions energy: -405.866 where: short stacking energy: -247.097 Base-Backbone interact. energy: 4.796 local terms energy: -429.710798 where: bonds (distance) C4'-P energy: -127.338 bonds (distance) P-C4' energy: -137.511 flat angles C4'-P-C4' energy: -108.731 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: 5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -721.646937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.646937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.646937 (E_RNA) where: Base-Base interactions energy: -304.028 where: short stacking energy: -189.803 Base-Backbone interact. energy: 2.806 local terms energy: -420.424750 where: bonds (distance) C4'-P energy: -130.233 bonds (distance) P-C4' energy: -136.717 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: 17.321 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2671.502486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.502486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.502486 (E_RNA) where: Base-Base interactions energy: -1835.052 where: short stacking energy: -840.338 Base-Backbone interact. energy: 1.633 local terms energy: -838.083140 where: bonds (distance) C4'-P energy: -156.053 bonds (distance) P-C4' energy: -144.064 flat angles C4'-P-C4' energy: -174.581 flat angles P-C4'-P energy: -109.294 tors. eta vs tors. theta energy: -254.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2623.372643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.372643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.372643 (E_RNA) where: Base-Base interactions energy: -1835.339 where: short stacking energy: -739.882 Base-Backbone interact. energy: -3.173 local terms energy: -784.860618 where: bonds (distance) C4'-P energy: -127.285 bonds (distance) P-C4' energy: -158.173 flat angles C4'-P-C4' energy: -169.212 flat angles P-C4'-P energy: -110.110 tors. eta vs tors. theta energy: -220.081 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: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2447.164866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.164866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.164866 (E_RNA) where: Base-Base interactions energy: -1683.680 where: short stacking energy: -702.725 Base-Backbone interact. energy: 3.773 local terms energy: -767.257820 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -175.258 flat angles P-C4'-P energy: -103.868 tors. eta vs tors. theta energy: -208.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2345.866359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.866359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.866359 (E_RNA) where: Base-Base interactions energy: -1647.720 where: short stacking energy: -695.077 Base-Backbone interact. energy: -0.867 local terms energy: -697.278912 where: bonds (distance) C4'-P energy: -140.958 bonds (distance) P-C4' energy: -105.833 flat angles C4'-P-C4' energy: -153.217 flat angles P-C4'-P energy: -107.411 tors. eta vs tors. theta energy: -189.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2222.172695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.172695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.172695 (E_RNA) where: Base-Base interactions energy: -1527.158 where: short stacking energy: -655.795 Base-Backbone interact. energy: -2.148 local terms energy: -692.866600 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -136.971 flat angles C4'-P-C4' energy: -167.173 flat angles P-C4'-P energy: -91.926 tors. eta vs tors. theta energy: -180.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2078.688077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.688077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.688077 (E_RNA) where: Base-Base interactions energy: -1420.084 where: short stacking energy: -609.886 Base-Backbone interact. energy: -4.695 local terms energy: -653.908870 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -130.220 flat angles C4'-P-C4' energy: -150.386 flat angles P-C4'-P energy: -81.390 tors. eta vs tors. theta energy: -153.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1839.562125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.562125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.562125 (E_RNA) where: Base-Base interactions energy: -1229.824 where: short stacking energy: -532.342 Base-Backbone interact. energy: 1.899 local terms energy: -611.637612 where: bonds (distance) C4'-P energy: -128.434 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -132.012 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -130.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1502.042380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.042380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.042380 (E_RNA) where: Base-Base interactions energy: -946.022 where: short stacking energy: -439.377 Base-Backbone interact. energy: 3.554 local terms energy: -559.574494 where: bonds (distance) C4'-P energy: -126.620 bonds (distance) P-C4' energy: -122.790 flat angles C4'-P-C4' energy: -136.520 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: -93.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -842.146792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.146792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.146792 (E_RNA) where: Base-Base interactions energy: -428.438 where: short stacking energy: -255.503 Base-Backbone interact. energy: -1.354 local terms energy: -412.354799 where: bonds (distance) C4'-P energy: -124.263 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -113.955 flat angles P-C4'-P energy: -63.044 tors. eta vs tors. theta energy: 26.557 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: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -710.555692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.555692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.555692 (E_RNA) where: Base-Base interactions energy: -316.916 where: short stacking energy: -217.945 Base-Backbone interact. energy: 8.004 local terms energy: -401.643440 where: bonds (distance) C4'-P energy: -109.655 bonds (distance) P-C4' energy: -136.217 flat angles C4'-P-C4' energy: -88.323 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -10.617 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: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2699.178388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.178388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.178388 (E_RNA) where: Base-Base interactions energy: -1807.558 where: short stacking energy: -870.939 Base-Backbone interact. energy: 0.583 local terms energy: -892.202576 where: bonds (distance) C4'-P energy: -153.598 bonds (distance) P-C4' energy: -157.231 flat angles C4'-P-C4' energy: -182.928 flat angles P-C4'-P energy: -131.850 tors. eta vs tors. theta energy: -266.596 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: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2602.923911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.923911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.923911 (E_RNA) where: Base-Base interactions energy: -1802.226 where: short stacking energy: -755.230 Base-Backbone interact. energy: -3.724 local terms energy: -796.973812 where: bonds (distance) C4'-P energy: -150.556 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -165.367 flat angles P-C4'-P energy: -112.156 tors. eta vs tors. theta energy: -214.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2456.965557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.965557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.965557 (E_RNA) where: Base-Base interactions energy: -1709.662 where: short stacking energy: -717.056 Base-Backbone interact. energy: 3.253 local terms energy: -750.555953 where: bonds (distance) C4'-P energy: -140.329 bonds (distance) P-C4' energy: -142.873 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -97.396 tors. eta vs tors. theta energy: -200.531 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: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2306.538346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.538346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.538346 (E_RNA) where: Base-Base interactions energy: -1582.429 where: short stacking energy: -700.662 Base-Backbone interact. energy: -2.349 local terms energy: -721.760050 where: bonds (distance) C4'-P energy: -119.802 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -166.134 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -192.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2351.426181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.426181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.426181 (E_RNA) where: Base-Base interactions energy: -1633.841 where: short stacking energy: -707.209 Base-Backbone interact. energy: -2.379 local terms energy: -715.206138 where: bonds (distance) C4'-P energy: -117.226 bonds (distance) P-C4' energy: -136.202 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -101.636 tors. eta vs tors. theta energy: -206.459 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: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2118.553948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.553948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.553948 (E_RNA) where: Base-Base interactions energy: -1449.025 where: short stacking energy: -619.591 Base-Backbone interact. energy: -1.579 local terms energy: -667.949267 where: bonds (distance) C4'-P energy: -123.438 bonds (distance) P-C4' energy: -132.339 flat angles C4'-P-C4' energy: -150.597 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -168.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1874.317183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.317183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.317183 (E_RNA) where: Base-Base interactions energy: -1209.210 where: short stacking energy: -550.617 Base-Backbone interact. energy: 0.002 local terms energy: -665.109668 where: bonds (distance) C4'-P energy: -162.888 bonds (distance) P-C4' energy: -136.780 flat angles C4'-P-C4' energy: -146.040 flat angles P-C4'-P energy: -89.913 tors. eta vs tors. theta energy: -129.489 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: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1393.963902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.963902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.963902 (E_RNA) where: Base-Base interactions energy: -888.646 where: short stacking energy: -403.716 Base-Backbone interact. energy: 0.008 local terms energy: -505.325749 where: bonds (distance) C4'-P energy: -123.368 bonds (distance) P-C4' energy: -129.883 flat angles C4'-P-C4' energy: -138.989 flat angles P-C4'-P energy: -61.841 tors. eta vs tors. theta energy: -51.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -889.453534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.453534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.453534 (E_RNA) where: Base-Base interactions energy: -458.598 where: short stacking energy: -268.693 Base-Backbone interact. energy: -2.914 local terms energy: -427.941466 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -111.479 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: 8.538 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: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -751.247224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.247224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.247224 (E_RNA) where: Base-Base interactions energy: -350.703 where: short stacking energy: -233.871 Base-Backbone interact. energy: -1.203 local terms energy: -399.340792 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -118.982 flat angles C4'-P-C4' energy: -98.327 flat angles P-C4'-P energy: -71.280 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: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2682.887739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.887739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.887739 (E_RNA) where: Base-Base interactions energy: -1823.904 where: short stacking energy: -860.879 Base-Backbone interact. energy: -3.048 local terms energy: -855.935890 where: bonds (distance) C4'-P energy: -151.442 bonds (distance) P-C4' energy: -142.022 flat angles C4'-P-C4' energy: -185.363 flat angles P-C4'-P energy: -114.385 tors. eta vs tors. theta energy: -262.723 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: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2567.334310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.334310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.334310 (E_RNA) where: Base-Base interactions energy: -1767.286 where: short stacking energy: -726.665 Base-Backbone interact. energy: -3.626 local terms energy: -796.423013 where: bonds (distance) C4'-P energy: -131.358 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -174.890 flat angles P-C4'-P energy: -131.272 tors. eta vs tors. theta energy: -199.737 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: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2468.922845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.922845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.922845 (E_RNA) where: Base-Base interactions energy: -1701.132 where: short stacking energy: -721.294 Base-Backbone interact. energy: 0.921 local terms energy: -768.712075 where: bonds (distance) C4'-P energy: -139.801 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -173.742 flat angles P-C4'-P energy: -108.425 tors. eta vs tors. theta energy: -190.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2336.633163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.633163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.633163 (E_RNA) where: Base-Base interactions energy: -1578.173 where: short stacking energy: -694.173 Base-Backbone interact. energy: -3.125 local terms energy: -755.335410 where: bonds (distance) C4'-P energy: -132.256 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -153.811 flat angles P-C4'-P energy: -125.433 tors. eta vs tors. theta energy: -189.999 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2293.502646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.502646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.502646 (E_RNA) where: Base-Base interactions energy: -1575.605 where: short stacking energy: -676.065 Base-Backbone interact. energy: -3.207 local terms energy: -714.690424 where: bonds (distance) C4'-P energy: -128.762 bonds (distance) P-C4' energy: -138.234 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -193.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2089.441575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.441575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.441575 (E_RNA) where: Base-Base interactions energy: -1423.183 where: short stacking energy: -591.866 Base-Backbone interact. energy: -1.578 local terms energy: -664.681273 where: bonds (distance) C4'-P energy: -127.910 bonds (distance) P-C4' energy: -143.835 flat angles C4'-P-C4' energy: -138.451 flat angles P-C4'-P energy: -101.473 tors. eta vs tors. theta energy: -153.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1778.416227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.416227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.416227 (E_RNA) where: Base-Base interactions energy: -1185.107 where: short stacking energy: -492.014 Base-Backbone interact. energy: -3.254 local terms energy: -590.055537 where: bonds (distance) C4'-P energy: -150.809 bonds (distance) P-C4' energy: -135.893 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -70.579 tors. eta vs tors. theta energy: -109.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1427.855021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.855021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.855021 (E_RNA) where: Base-Base interactions energy: -893.185 where: short stacking energy: -414.542 Base-Backbone interact. energy: 1.188 local terms energy: -535.858666 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -149.798 flat angles C4'-P-C4' energy: -135.395 flat angles P-C4'-P energy: -70.084 tors. eta vs tors. theta energy: -66.310 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: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -927.454908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.454908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.454908 (E_RNA) where: Base-Base interactions energy: -476.414 where: short stacking energy: -270.986 Base-Backbone interact. energy: 1.896 local terms energy: -452.936948 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -133.336 flat angles C4'-P-C4' energy: -98.630 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -20.951 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -778.128296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.128296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.128296 (E_RNA) where: Base-Base interactions energy: -380.854 where: short stacking energy: -216.181 Base-Backbone interact. energy: -3.507 local terms energy: -393.767381 where: bonds (distance) C4'-P energy: -106.776 bonds (distance) P-C4' energy: -138.300 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -1.080 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: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2712.851097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.851097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.851097 (E_RNA) where: Base-Base interactions energy: -1846.538 where: short stacking energy: -837.014 Base-Backbone interact. energy: -2.284 local terms energy: -864.029768 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -149.033 flat angles C4'-P-C4' energy: -171.093 flat angles P-C4'-P energy: -132.404 tors. eta vs tors. theta energy: -258.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2553.233475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.233475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.233475 (E_RNA) where: Base-Base interactions energy: -1776.747 where: short stacking energy: -704.232 Base-Backbone interact. energy: -6.149 local terms energy: -770.337643 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -166.568 flat angles P-C4'-P energy: -112.398 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2475.704924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.704924 (E_RNA) where: Base-Base interactions energy: -1708.700 where: short stacking energy: -713.382 Base-Backbone interact. energy: -4.098 local terms energy: -762.906848 where: bonds (distance) C4'-P energy: -147.398 bonds (distance) P-C4' energy: -145.389 flat angles C4'-P-C4' energy: -176.100 flat angles P-C4'-P energy: -101.017 tors. eta vs tors. theta energy: -193.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2323.601466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.601466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.601466 (E_RNA) where: Base-Base interactions energy: -1592.675 where: short stacking energy: -710.644 Base-Backbone interact. energy: 0.318 local terms energy: -731.244283 where: bonds (distance) C4'-P energy: -139.385 bonds (distance) P-C4' energy: -142.823 flat angles C4'-P-C4' energy: -160.788 flat angles P-C4'-P energy: -93.825 tors. eta vs tors. theta energy: -194.423 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: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2287.663484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.663484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.663484 (E_RNA) where: Base-Base interactions energy: -1590.742 where: short stacking energy: -650.449 Base-Backbone interact. energy: -3.735 local terms energy: -693.186476 where: bonds (distance) C4'-P energy: -121.317 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -157.851 flat angles P-C4'-P energy: -103.351 tors. eta vs tors. theta energy: -183.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2028.974973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.974973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.974973 (E_RNA) where: Base-Base interactions energy: -1395.133 where: short stacking energy: -619.530 Base-Backbone interact. energy: 1.029 local terms energy: -634.870637 where: bonds (distance) C4'-P energy: -117.088 bonds (distance) P-C4' energy: -130.897 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -156.081 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: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1745.190632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.190632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.190632 (E_RNA) where: Base-Base interactions energy: -1151.792 where: short stacking energy: -479.563 Base-Backbone interact. energy: -1.712 local terms energy: -591.686945 where: bonds (distance) C4'-P energy: -154.554 bonds (distance) P-C4' energy: -133.258 flat angles C4'-P-C4' energy: -121.785 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -98.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1452.508856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.508856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.508856 (E_RNA) where: Base-Base interactions energy: -945.645 where: short stacking energy: -432.207 Base-Backbone interact. energy: 0.415 local terms energy: -507.279026 where: bonds (distance) C4'-P energy: -120.082 bonds (distance) P-C4' energy: -124.150 flat angles C4'-P-C4' energy: -106.459 flat angles P-C4'-P energy: -85.436 tors. eta vs tors. theta energy: -71.153 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -946.113333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.113333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.113333 (E_RNA) where: Base-Base interactions energy: -499.970 where: short stacking energy: -288.493 Base-Backbone interact. energy: -3.576 local terms energy: -442.567181 where: bonds (distance) C4'-P energy: -109.116 bonds (distance) P-C4' energy: -143.898 flat angles C4'-P-C4' energy: -107.658 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -795.988517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.988517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.988517 (E_RNA) where: Base-Base interactions energy: -382.697 where: short stacking energy: -237.860 Base-Backbone interact. energy: 1.494 local terms energy: -414.785748 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -126.208 flat angles C4'-P-C4' energy: -107.912 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -7.221 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: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2625.968053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.968053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.968053 (E_RNA) where: Base-Base interactions energy: -1783.262 where: short stacking energy: -734.875 Base-Backbone interact. energy: -3.156 local terms energy: -839.549878 where: bonds (distance) C4'-P energy: -163.548 bonds (distance) P-C4' energy: -165.621 flat angles C4'-P-C4' energy: -183.159 flat angles P-C4'-P energy: -118.518 tors. eta vs tors. theta energy: -208.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2675.499700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.499700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.499700 (E_RNA) where: Base-Base interactions energy: -1819.281 where: short stacking energy: -835.044 Base-Backbone interact. energy: -3.537 local terms energy: -852.681982 where: bonds (distance) C4'-P energy: -139.726 bonds (distance) P-C4' energy: -147.957 flat angles C4'-P-C4' energy: -181.178 flat angles P-C4'-P energy: -116.465 tors. eta vs tors. theta energy: -267.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2450.473405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.473405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.473405 (E_RNA) where: Base-Base interactions energy: -1689.454 where: short stacking energy: -656.047 Base-Backbone interact. energy: -5.692 local terms energy: -755.327235 where: bonds (distance) C4'-P energy: -139.708 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -175.294 flat angles P-C4'-P energy: -119.937 tors. eta vs tors. theta energy: -183.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2324.770787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.770787 (E_RNA) where: Base-Base interactions energy: -1616.744 where: short stacking energy: -715.700 Base-Backbone interact. energy: -1.740 local terms energy: -706.286866 where: bonds (distance) C4'-P energy: -124.959 bonds (distance) P-C4' energy: -128.131 flat angles C4'-P-C4' energy: -158.422 flat angles P-C4'-P energy: -97.527 tors. eta vs tors. theta energy: -197.248 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: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2307.541751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.541751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.541751 (E_RNA) where: Base-Base interactions energy: -1596.201 where: short stacking energy: -704.083 Base-Backbone interact. energy: 1.617 local terms energy: -712.957697 where: bonds (distance) C4'-P energy: -128.404 bonds (distance) P-C4' energy: -142.163 flat angles C4'-P-C4' energy: -147.727 flat angles P-C4'-P energy: -104.551 tors. eta vs tors. theta energy: -190.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2068.873606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.873606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.873606 (E_RNA) where: Base-Base interactions energy: -1456.787 where: short stacking energy: -604.937 Base-Backbone interact. energy: 0.307 local terms energy: -612.393466 where: bonds (distance) C4'-P energy: -96.770 bonds (distance) P-C4' energy: -124.194 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -102.167 tors. eta vs tors. theta energy: -158.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1789.237853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.237853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.237853 (E_RNA) where: Base-Base interactions energy: -1208.224 where: short stacking energy: -549.659 Base-Backbone interact. energy: 1.034 local terms energy: -582.047805 where: bonds (distance) C4'-P energy: -118.824 bonds (distance) P-C4' energy: -108.834 flat angles C4'-P-C4' energy: -121.003 flat angles P-C4'-P energy: -104.872 tors. eta vs tors. theta energy: -128.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1412.549007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.549007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.549007 (E_RNA) where: Base-Base interactions energy: -899.672 where: short stacking energy: -378.832 Base-Backbone interact. energy: -1.830 local terms energy: -511.046925 where: bonds (distance) C4'-P energy: -105.677 bonds (distance) P-C4' energy: -146.750 flat angles C4'-P-C4' energy: -124.732 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -45.786 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: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -937.653006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.653006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.653006 (E_RNA) where: Base-Base interactions energy: -515.096 where: short stacking energy: -277.471 Base-Backbone interact. energy: -1.688 local terms energy: -420.869073 where: bonds (distance) C4'-P energy: -98.041 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -113.653 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -804.237690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.237690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.237690 (E_RNA) where: Base-Base interactions energy: -394.308 where: short stacking energy: -217.139 Base-Backbone interact. energy: -3.775 local terms energy: -406.154462 where: bonds (distance) C4'-P energy: -116.350 bonds (distance) P-C4' energy: -130.534 flat angles C4'-P-C4' energy: -114.786 flat angles P-C4'-P energy: -58.724 tors. eta vs tors. theta energy: 14.239 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: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2664.320047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.320047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.320047 (E_RNA) where: Base-Base interactions energy: -1854.706 where: short stacking energy: -745.747 Base-Backbone interact. energy: -5.127 local terms energy: -804.486593 where: bonds (distance) C4'-P energy: -148.397 bonds (distance) P-C4' energy: -149.770 flat angles C4'-P-C4' energy: -181.696 flat angles P-C4'-P energy: -112.014 tors. eta vs tors. theta energy: -212.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2645.445909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.445909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.445909 (E_RNA) where: Base-Base interactions energy: -1768.958 where: short stacking energy: -815.259 Base-Backbone interact. energy: -1.699 local terms energy: -874.789636 where: bonds (distance) C4'-P energy: -153.634 bonds (distance) P-C4' energy: -158.361 flat angles C4'-P-C4' energy: -181.538 flat angles P-C4'-P energy: -124.139 tors. eta vs tors. theta energy: -257.118 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: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2511.010671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.010671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.010671 (E_RNA) where: Base-Base interactions energy: -1782.651 where: short stacking energy: -740.677 Base-Backbone interact. energy: -2.876 local terms energy: -725.484237 where: bonds (distance) C4'-P energy: -135.937 bonds (distance) P-C4' energy: -134.019 flat angles C4'-P-C4' energy: -159.927 flat angles P-C4'-P energy: -105.237 tors. eta vs tors. theta energy: -190.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2339.713129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.713129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.713129 (E_RNA) where: Base-Base interactions energy: -1593.747 where: short stacking energy: -693.083 Base-Backbone interact. energy: -1.171 local terms energy: -744.795470 where: bonds (distance) C4'-P energy: -137.554 bonds (distance) P-C4' energy: -145.283 flat angles C4'-P-C4' energy: -144.515 flat angles P-C4'-P energy: -114.590 tors. eta vs tors. theta energy: -202.853 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: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2229.162625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.162625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.162625 (E_RNA) where: Base-Base interactions energy: -1517.274 where: short stacking energy: -663.212 Base-Backbone interact. energy: -3.442 local terms energy: -708.446186 where: bonds (distance) C4'-P energy: -121.130 bonds (distance) P-C4' energy: -154.643 flat angles C4'-P-C4' energy: -145.946 flat angles P-C4'-P energy: -99.053 tors. eta vs tors. theta energy: -187.674 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: 323 Temperature: 1.150000 Total energy: -2064.383486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.383486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.383486 (E_RNA) where: Base-Base interactions energy: -1401.562 where: short stacking energy: -601.320 Base-Backbone interact. energy: -1.190 local terms energy: -661.631121 where: bonds (distance) C4'-P energy: -126.427 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -147.689 flat angles P-C4'-P energy: -99.667 tors. eta vs tors. theta energy: -166.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1747.525807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.525807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.525807 (E_RNA) where: Base-Base interactions energy: -1144.905 where: short stacking energy: -495.343 Base-Backbone interact. energy: -2.326 local terms energy: -600.294764 where: bonds (distance) C4'-P energy: -118.098 bonds (distance) P-C4' energy: -145.201 flat angles C4'-P-C4' energy: -134.673 flat angles P-C4'-P energy: -84.977 tors. eta vs tors. theta energy: -117.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1473.968091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.968091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.968091 (E_RNA) where: Base-Base interactions energy: -947.568 where: short stacking energy: -399.402 Base-Backbone interact. energy: -5.523 local terms energy: -520.876804 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -123.821 flat angles C4'-P-C4' energy: -138.455 flat angles P-C4'-P energy: -86.189 tors. eta vs tors. theta energy: -59.878 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: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -934.709420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.709420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.709420 (E_RNA) where: Base-Base interactions energy: -496.206 where: short stacking energy: -275.508 Base-Backbone interact. energy: 5.532 local terms energy: -444.035505 where: bonds (distance) C4'-P energy: -119.526 bonds (distance) P-C4' energy: -123.506 flat angles C4'-P-C4' energy: -135.550 flat angles P-C4'-P energy: -68.443 tors. eta vs tors. theta energy: 2.989 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: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -837.488488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.488488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.488488 (E_RNA) where: Base-Base interactions energy: -404.172 where: short stacking energy: -209.659 Base-Backbone interact. energy: 0.375 local terms energy: -433.691556 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -138.801 flat angles C4'-P-C4' energy: -118.880 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2669.601233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.601233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.601233 (E_RNA) where: Base-Base interactions energy: -1851.287 where: short stacking energy: -764.453 Base-Backbone interact. energy: -1.864 local terms energy: -816.449633 where: bonds (distance) C4'-P energy: -149.784 bonds (distance) P-C4' energy: -163.387 flat angles C4'-P-C4' energy: -179.642 flat angles P-C4'-P energy: -107.983 tors. eta vs tors. theta energy: -215.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2689.584820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.584820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.584820 (E_RNA) where: Base-Base interactions energy: -1849.054 where: short stacking energy: -841.482 Base-Backbone interact. energy: -3.031 local terms energy: -837.499531 where: bonds (distance) C4'-P energy: -144.019 bonds (distance) P-C4' energy: -147.927 flat angles C4'-P-C4' energy: -174.087 flat angles P-C4'-P energy: -110.915 tors. eta vs tors. theta energy: -260.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2485.818446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.818446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.818446 (E_RNA) where: Base-Base interactions energy: -1749.851 where: short stacking energy: -710.558 Base-Backbone interact. energy: -2.795 local terms energy: -733.172873 where: bonds (distance) C4'-P energy: -142.874 bonds (distance) P-C4' energy: -143.216 flat angles C4'-P-C4' energy: -162.982 flat angles P-C4'-P energy: -92.775 tors. eta vs tors. theta energy: -191.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2394.013207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.013207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.013207 (E_RNA) where: Base-Base interactions energy: -1608.973 where: short stacking energy: -688.405 Base-Backbone interact. energy: 0.107 local terms energy: -785.146951 where: bonds (distance) C4'-P energy: -159.289 bonds (distance) P-C4' energy: -152.515 flat angles C4'-P-C4' energy: -156.958 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -204.243 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: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2172.787705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.787705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.787705 (E_RNA) where: Base-Base interactions energy: -1485.105 where: short stacking energy: -649.415 Base-Backbone interact. energy: 0.017 local terms energy: -687.699630 where: bonds (distance) C4'-P energy: -121.677 bonds (distance) P-C4' energy: -138.838 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -97.936 tors. eta vs tors. theta energy: -184.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2073.651966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.651966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.651966 (E_RNA) where: Base-Base interactions energy: -1417.935 where: short stacking energy: -630.333 Base-Backbone interact. energy: 3.076 local terms energy: -658.793565 where: bonds (distance) C4'-P energy: -115.845 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -143.267 flat angles P-C4'-P energy: -99.031 tors. eta vs tors. theta energy: -157.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1750.025000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.025000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.025000 (E_RNA) where: Base-Base interactions energy: -1163.219 where: short stacking energy: -530.652 Base-Backbone interact. energy: -1.302 local terms energy: -585.504173 where: bonds (distance) C4'-P energy: -111.335 bonds (distance) P-C4' energy: -132.992 flat angles C4'-P-C4' energy: -144.495 flat angles P-C4'-P energy: -96.157 tors. eta vs tors. theta energy: -100.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1452.981544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.981544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.981544 (E_RNA) where: Base-Base interactions energy: -930.718 where: short stacking energy: -407.765 Base-Backbone interact. energy: 9.125 local terms energy: -531.388439 where: bonds (distance) C4'-P energy: -116.320 bonds (distance) P-C4' energy: -129.394 flat angles C4'-P-C4' energy: -141.594 flat angles P-C4'-P energy: -83.225 tors. eta vs tors. theta energy: -60.856 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: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -993.791152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.791152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.791152 (E_RNA) where: Base-Base interactions energy: -531.239 where: short stacking energy: -281.075 Base-Backbone interact. energy: 5.461 local terms energy: -468.012806 where: bonds (distance) C4'-P energy: -125.150 bonds (distance) P-C4' energy: -131.122 flat angles C4'-P-C4' energy: -114.499 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -22.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -779.009473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.009473 (E_RNA) where: Base-Base interactions energy: -365.892 where: short stacking energy: -222.680 Base-Backbone interact. energy: 2.721 local terms energy: -415.839051 where: bonds (distance) C4'-P energy: -130.966 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -92.081 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: 1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2681.979623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.979623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.979623 (E_RNA) where: Base-Base interactions energy: -1860.468 where: short stacking energy: -761.876 Base-Backbone interact. energy: -3.929 local terms energy: -817.582811 where: bonds (distance) C4'-P energy: -153.541 bonds (distance) P-C4' energy: -163.166 flat angles C4'-P-C4' energy: -173.581 flat angles P-C4'-P energy: -116.260 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2683.124177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.124177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.124177 (E_RNA) where: Base-Base interactions energy: -1814.092 where: short stacking energy: -834.640 Base-Backbone interact. energy: -1.996 local terms energy: -867.035740 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -145.758 flat angles C4'-P-C4' energy: -181.555 flat angles P-C4'-P energy: -114.131 tors. eta vs tors. theta energy: -264.200 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: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2491.718265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.718265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.718265 (E_RNA) where: Base-Base interactions energy: -1736.612 where: short stacking energy: -694.271 Base-Backbone interact. energy: -1.508 local terms energy: -753.598032 where: bonds (distance) C4'-P energy: -150.645 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -165.998 flat angles P-C4'-P energy: -122.352 tors. eta vs tors. theta energy: -180.255 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: 325 Temperature: 1.050000 Total energy: -2397.760575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.760575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.760575 (E_RNA) where: Base-Base interactions energy: -1661.914 where: short stacking energy: -707.888 Base-Backbone interact. energy: -2.169 local terms energy: -733.677194 where: bonds (distance) C4'-P energy: -121.933 bonds (distance) P-C4' energy: -135.824 flat angles C4'-P-C4' energy: -159.315 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -205.181 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: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2191.628798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.628798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.628798 (E_RNA) where: Base-Base interactions energy: -1488.702 where: short stacking energy: -627.584 Base-Backbone interact. energy: 1.842 local terms energy: -704.768445 where: bonds (distance) C4'-P energy: -115.340 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -167.424 flat angles P-C4'-P energy: -104.455 tors. eta vs tors. theta energy: -169.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2050.630716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.630716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.630716 (E_RNA) where: Base-Base interactions energy: -1387.334 where: short stacking energy: -620.541 Base-Backbone interact. energy: -3.953 local terms energy: -659.344468 where: bonds (distance) C4'-P energy: -135.872 bonds (distance) P-C4' energy: -127.641 flat angles C4'-P-C4' energy: -150.118 flat angles P-C4'-P energy: -90.125 tors. eta vs tors. theta energy: -155.588 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: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1803.001193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.001193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.001193 (E_RNA) where: Base-Base interactions energy: -1199.366 where: short stacking energy: -546.840 Base-Backbone interact. energy: 2.281 local terms energy: -605.915917 where: bonds (distance) C4'-P energy: -112.529 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -135.047 flat angles P-C4'-P energy: -83.690 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: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1502.121246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.121246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.121246 (E_RNA) where: Base-Base interactions energy: -963.812 where: short stacking energy: -443.783 Base-Backbone interact. energy: -3.468 local terms energy: -534.841662 where: bonds (distance) C4'-P energy: -110.096 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -124.707 flat angles P-C4'-P energy: -89.810 tors. eta vs tors. theta energy: -82.139 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: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1013.210822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.210822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.210822 (E_RNA) where: Base-Base interactions energy: -561.736 where: short stacking energy: -285.213 Base-Backbone interact. energy: 0.331 local terms energy: -451.805897 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -779.210614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.210614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.210614 (E_RNA) where: Base-Base interactions energy: -374.093 where: short stacking energy: -205.274 Base-Backbone interact. energy: 0.790 local terms energy: -405.907844 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -104.751 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: 8.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2745.375285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.375285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.375285 (E_RNA) where: Base-Base interactions energy: -1888.886 where: short stacking energy: -873.050 Base-Backbone interact. energy: 0.121 local terms energy: -856.609574 where: bonds (distance) C4'-P energy: -140.024 bonds (distance) P-C4' energy: -147.407 flat angles C4'-P-C4' energy: -181.777 flat angles P-C4'-P energy: -121.018 tors. eta vs tors. theta energy: -266.383 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: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2622.816971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.816971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.816971 (E_RNA) where: Base-Base interactions energy: -1833.343 where: short stacking energy: -720.409 Base-Backbone interact. energy: -3.857 local terms energy: -785.616402 where: bonds (distance) C4'-P energy: -137.121 bonds (distance) P-C4' energy: -144.646 flat angles C4'-P-C4' energy: -167.882 flat angles P-C4'-P energy: -125.576 tors. eta vs tors. theta energy: -210.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2455.663966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.663966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.663966 (E_RNA) where: Base-Base interactions energy: -1662.718 where: short stacking energy: -728.472 Base-Backbone interact. energy: -1.960 local terms energy: -790.985566 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -133.417 flat angles C4'-P-C4' energy: -168.651 flat angles P-C4'-P energy: -109.700 tors. eta vs tors. theta energy: -216.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2358.717300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.717300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.717300 (E_RNA) where: Base-Base interactions energy: -1617.887 where: short stacking energy: -677.822 Base-Backbone interact. energy: -4.985 local terms energy: -735.845416 where: bonds (distance) C4'-P energy: -124.074 bonds (distance) P-C4' energy: -157.951 flat angles C4'-P-C4' energy: -155.359 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -186.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2161.281733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.281733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.281733 (E_RNA) where: Base-Base interactions energy: -1481.431 where: short stacking energy: -622.814 Base-Backbone interact. energy: -1.152 local terms energy: -678.698805 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -146.351 flat angles C4'-P-C4' energy: -150.046 flat angles P-C4'-P energy: -102.098 tors. eta vs tors. theta energy: -155.260 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: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2008.976990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.976990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.976990 (E_RNA) where: Base-Base interactions energy: -1349.280 where: short stacking energy: -574.374 Base-Backbone interact. energy: -2.567 local terms energy: -657.129201 where: bonds (distance) C4'-P energy: -126.556 bonds (distance) P-C4' energy: -141.153 flat angles C4'-P-C4' energy: -144.183 flat angles P-C4'-P energy: -92.682 tors. eta vs tors. theta energy: -152.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1836.388777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.388777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.388777 (E_RNA) where: Base-Base interactions energy: -1228.777 where: short stacking energy: -527.624 Base-Backbone interact. energy: 5.472 local terms energy: -613.083896 where: bonds (distance) C4'-P energy: -128.721 bonds (distance) P-C4' energy: -127.024 flat angles C4'-P-C4' energy: -140.995 flat angles P-C4'-P energy: -88.617 tors. eta vs tors. theta energy: -127.727 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1494.786522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.786522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.786522 (E_RNA) where: Base-Base interactions energy: -955.452 where: short stacking energy: -438.644 Base-Backbone interact. energy: -1.093 local terms energy: -538.241384 where: bonds (distance) C4'-P energy: -131.618 bonds (distance) P-C4' energy: -118.846 flat angles C4'-P-C4' energy: -120.835 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -68.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -960.889817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.889817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.889817 (E_RNA) where: Base-Base interactions energy: -547.198 where: short stacking energy: -299.493 Base-Backbone interact. energy: -3.652 local terms energy: -410.040030 where: bonds (distance) C4'-P energy: -118.420 bonds (distance) P-C4' energy: -118.605 flat angles C4'-P-C4' energy: -123.812 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -8.382 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: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -780.373302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.373302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.373302 (E_RNA) where: Base-Base interactions energy: -384.661 where: short stacking energy: -214.822 Base-Backbone interact. energy: 7.483 local terms energy: -403.195036 where: bonds (distance) C4'-P energy: -133.780 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -107.081 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: 6.323 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2728.669190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.669190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.669190 (E_RNA) where: Base-Base interactions energy: -1842.519 where: short stacking energy: -838.335 Base-Backbone interact. energy: -1.074 local terms energy: -885.076445 where: bonds (distance) C4'-P energy: -147.510 bonds (distance) P-C4' energy: -172.112 flat angles C4'-P-C4' energy: -178.396 flat angles P-C4'-P energy: -123.998 tors. eta vs tors. theta energy: -263.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2586.704340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.704340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.704340 (E_RNA) where: Base-Base interactions energy: -1805.383 where: short stacking energy: -743.749 Base-Backbone interact. energy: -2.841 local terms energy: -778.480052 where: bonds (distance) C4'-P energy: -146.248 bonds (distance) P-C4' energy: -148.764 flat angles C4'-P-C4' energy: -169.966 flat angles P-C4'-P energy: -102.596 tors. eta vs tors. theta energy: -210.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2479.769668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.769668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.769668 (E_RNA) where: Base-Base interactions energy: -1698.188 where: short stacking energy: -742.475 Base-Backbone interact. energy: -3.709 local terms energy: -777.871839 where: bonds (distance) C4'-P energy: -149.408 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -167.975 flat angles P-C4'-P energy: -101.728 tors. eta vs tors. theta energy: -213.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2393.995218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.995218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.995218 (E_RNA) where: Base-Base interactions energy: -1651.502 where: short stacking energy: -691.525 Base-Backbone interact. energy: -2.938 local terms energy: -739.554615 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -161.419 flat angles P-C4'-P energy: -102.054 tors. eta vs tors. theta energy: -180.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2197.569760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.569760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.569760 (E_RNA) where: Base-Base interactions energy: -1466.244 where: short stacking energy: -637.923 Base-Backbone interact. energy: -0.919 local terms energy: -730.407187 where: bonds (distance) C4'-P energy: -146.729 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -141.380 flat angles P-C4'-P energy: -116.206 tors. eta vs tors. theta energy: -180.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2063.642009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.642009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.642009 (E_RNA) where: Base-Base interactions energy: -1405.897 where: short stacking energy: -604.461 Base-Backbone interact. energy: -4.400 local terms energy: -653.345402 where: bonds (distance) C4'-P energy: -127.542 bonds (distance) P-C4' energy: -127.587 flat angles C4'-P-C4' energy: -139.157 flat angles P-C4'-P energy: -91.473 tors. eta vs tors. theta energy: -167.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1801.406738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.406738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.406738 (E_RNA) where: Base-Base interactions energy: -1176.259 where: short stacking energy: -533.123 Base-Backbone interact. energy: -2.814 local terms energy: -622.333928 where: bonds (distance) C4'-P energy: -117.765 bonds (distance) P-C4' energy: -133.516 flat angles C4'-P-C4' energy: -142.744 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -143.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1446.387080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.387080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.387080 (E_RNA) where: Base-Base interactions energy: -908.855 where: short stacking energy: -387.633 Base-Backbone interact. energy: -1.591 local terms energy: -535.941354 where: bonds (distance) C4'-P energy: -143.474 bonds (distance) P-C4' energy: -138.672 flat angles C4'-P-C4' energy: -111.302 flat angles P-C4'-P energy: -86.184 tors. eta vs tors. theta energy: -56.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -959.765804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.765804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.765804 (E_RNA) where: Base-Base interactions energy: -543.050 where: short stacking energy: -278.441 Base-Backbone interact. energy: 1.800 local terms energy: -418.516180 where: bonds (distance) C4'-P energy: -113.027 bonds (distance) P-C4' energy: -110.003 flat angles C4'-P-C4' energy: -121.427 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -781.492057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.492057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.492057 (E_RNA) where: Base-Base interactions energy: -372.763 where: short stacking energy: -214.127 Base-Backbone interact. energy: 10.353 local terms energy: -419.081502 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -127.524 flat angles C4'-P-C4' energy: -132.003 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: 23.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2724.254961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.254961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.254961 (E_RNA) where: Base-Base interactions energy: -1862.679 where: short stacking energy: -855.025 Base-Backbone interact. energy: -3.026 local terms energy: -858.549927 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -151.577 flat angles C4'-P-C4' energy: -178.291 flat angles P-C4'-P energy: -127.041 tors. eta vs tors. theta energy: -258.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2593.025153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.025153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.025153 (E_RNA) where: Base-Base interactions energy: -1807.726 where: short stacking energy: -722.562 Base-Backbone interact. energy: -0.682 local terms energy: -784.616985 where: bonds (distance) C4'-P energy: -144.705 bonds (distance) P-C4' energy: -148.335 flat angles C4'-P-C4' energy: -178.002 flat angles P-C4'-P energy: -109.095 tors. eta vs tors. theta energy: -204.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2487.861320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.861320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.861320 (E_RNA) where: Base-Base interactions energy: -1707.667 where: short stacking energy: -735.488 Base-Backbone interact. energy: -3.331 local terms energy: -776.862948 where: bonds (distance) C4'-P energy: -147.555 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -168.163 flat angles P-C4'-P energy: -100.152 tors. eta vs tors. theta energy: -210.992 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: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2394.834411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.834411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.834411 (E_RNA) where: Base-Base interactions energy: -1691.653 where: short stacking energy: -696.464 Base-Backbone interact. energy: -3.378 local terms energy: -699.802699 where: bonds (distance) C4'-P energy: -127.244 bonds (distance) P-C4' energy: -133.005 flat angles C4'-P-C4' energy: -162.461 flat angles P-C4'-P energy: -97.879 tors. eta vs tors. theta energy: -179.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2237.776430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.776430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.776430 (E_RNA) where: Base-Base interactions energy: -1517.126 where: short stacking energy: -655.543 Base-Backbone interact. energy: -1.326 local terms energy: -719.324355 where: bonds (distance) C4'-P energy: -135.903 bonds (distance) P-C4' energy: -146.264 flat angles C4'-P-C4' energy: -151.165 flat angles P-C4'-P energy: -96.987 tors. eta vs tors. theta energy: -189.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2017.285159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.285159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.285159 (E_RNA) where: Base-Base interactions energy: -1359.648 where: short stacking energy: -588.893 Base-Backbone interact. energy: -1.560 local terms energy: -656.077555 where: bonds (distance) C4'-P energy: -133.380 bonds (distance) P-C4' energy: -130.251 flat angles C4'-P-C4' energy: -157.817 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -144.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1816.804904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.804904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.804904 (E_RNA) where: Base-Base interactions energy: -1184.389 where: short stacking energy: -546.656 Base-Backbone interact. energy: -2.473 local terms energy: -629.942369 where: bonds (distance) C4'-P energy: -120.021 bonds (distance) P-C4' energy: -143.460 flat angles C4'-P-C4' energy: -135.626 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: -144.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1484.697141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.697141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.697141 (E_RNA) where: Base-Base interactions energy: -932.191 where: short stacking energy: -410.431 Base-Backbone interact. energy: -4.311 local terms energy: -548.194834 where: bonds (distance) C4'-P energy: -115.980 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -128.516 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -67.738 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1030.958709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.958709 (E_RNA) where: Base-Base interactions energy: -580.250 where: short stacking energy: -294.945 Base-Backbone interact. energy: -3.956 local terms energy: -446.752300 where: bonds (distance) C4'-P energy: -116.221 bonds (distance) P-C4' energy: -128.817 flat angles C4'-P-C4' energy: -117.970 flat angles P-C4'-P energy: -60.853 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: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -776.139617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.139617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.139617 (E_RNA) where: Base-Base interactions energy: -387.619 where: short stacking energy: -218.186 Base-Backbone interact. energy: 0.086 local terms energy: -388.606164 where: bonds (distance) C4'-P energy: -108.043 bonds (distance) P-C4' energy: -126.798 flat angles C4'-P-C4' energy: -97.710 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: 5.170 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: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2735.770649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.770649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.770649 (E_RNA) where: Base-Base interactions energy: -1854.820 where: short stacking energy: -843.186 Base-Backbone interact. energy: -2.368 local terms energy: -878.582787 where: bonds (distance) C4'-P energy: -151.243 bonds (distance) P-C4' energy: -151.934 flat angles C4'-P-C4' energy: -183.103 flat angles P-C4'-P energy: -131.684 tors. eta vs tors. theta energy: -260.619 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: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2585.688340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.688340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.688340 (E_RNA) where: Base-Base interactions energy: -1797.599 where: short stacking energy: -740.502 Base-Backbone interact. energy: -0.611 local terms energy: -787.477891 where: bonds (distance) C4'-P energy: -150.286 bonds (distance) P-C4' energy: -148.701 flat angles C4'-P-C4' energy: -182.139 flat angles P-C4'-P energy: -93.750 tors. eta vs tors. theta energy: -212.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2484.761176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.761176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.761176 (E_RNA) where: Base-Base interactions energy: -1701.347 where: short stacking energy: -733.913 Base-Backbone interact. energy: -0.746 local terms energy: -782.668817 where: bonds (distance) C4'-P energy: -143.885 bonds (distance) P-C4' energy: -151.079 flat angles C4'-P-C4' energy: -168.466 flat angles P-C4'-P energy: -110.350 tors. eta vs tors. theta energy: -208.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2364.560625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.560625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.560625 (E_RNA) where: Base-Base interactions energy: -1623.042 where: short stacking energy: -676.174 Base-Backbone interact. energy: -1.441 local terms energy: -740.077674 where: bonds (distance) C4'-P energy: -147.514 bonds (distance) P-C4' energy: -142.481 flat angles C4'-P-C4' energy: -156.689 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -183.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2176.208161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.208161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.208161 (E_RNA) where: Base-Base interactions energy: -1502.963 where: short stacking energy: -636.604 Base-Backbone interact. energy: 3.261 local terms energy: -676.506982 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -110.468 flat angles C4'-P-C4' energy: -163.708 flat angles P-C4'-P energy: -100.704 tors. eta vs tors. theta energy: -167.919 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: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2026.999243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.999243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.999243 (E_RNA) where: Base-Base interactions energy: -1356.652 where: short stacking energy: -610.401 Base-Backbone interact. energy: -3.372 local terms energy: -666.974765 where: bonds (distance) C4'-P energy: -122.127 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -148.090 flat angles P-C4'-P energy: -106.336 tors. eta vs tors. theta energy: -161.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1768.197474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.197474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.197474 (E_RNA) where: Base-Base interactions energy: -1130.609 where: short stacking energy: -525.579 Base-Backbone interact. energy: 0.574 local terms energy: -638.161659 where: bonds (distance) C4'-P energy: -145.765 bonds (distance) P-C4' energy: -137.923 flat angles C4'-P-C4' energy: -138.081 flat angles P-C4'-P energy: -96.479 tors. eta vs tors. theta energy: -119.913 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: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1535.202155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.202155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.202155 (E_RNA) where: Base-Base interactions energy: -975.605 where: short stacking energy: -419.492 Base-Backbone interact. energy: 1.713 local terms energy: -561.310183 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -145.472 flat angles C4'-P-C4' energy: -138.397 flat angles P-C4'-P energy: -91.444 tors. eta vs tors. theta energy: -71.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1044.306820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.306820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.306820 (E_RNA) where: Base-Base interactions energy: -576.108 where: short stacking energy: -301.828 Base-Backbone interact. energy: 0.350 local terms energy: -468.549169 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -114.102 flat angles C4'-P-C4' energy: -103.442 flat angles P-C4'-P energy: -82.072 tors. eta vs tors. theta energy: -29.773 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: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -752.961083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.961083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.961083 (E_RNA) where: Base-Base interactions energy: -358.314 where: short stacking energy: -227.001 Base-Backbone interact. energy: 1.823 local terms energy: -396.469964 where: bonds (distance) C4'-P energy: -114.573 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -98.308 flat angles P-C4'-P energy: -75.121 tors. eta vs tors. theta energy: 11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2718.595971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.595971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.595971 (E_RNA) where: Base-Base interactions energy: -1838.398 where: short stacking energy: -850.010 Base-Backbone interact. energy: -0.852 local terms energy: -879.345950 where: bonds (distance) C4'-P energy: -147.796 bonds (distance) P-C4' energy: -162.436 flat angles C4'-P-C4' energy: -184.590 flat angles P-C4'-P energy: -123.949 tors. eta vs tors. theta energy: -260.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2609.344735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.344735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.344735 (E_RNA) where: Base-Base interactions energy: -1800.693 where: short stacking energy: -751.163 Base-Backbone interact. energy: 3.205 local terms energy: -811.855853 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -153.297 flat angles C4'-P-C4' energy: -177.722 flat angles P-C4'-P energy: -114.387 tors. eta vs tors. theta energy: -210.842 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: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2466.880544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.880544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.880544 (E_RNA) where: Base-Base interactions energy: -1669.838 where: short stacking energy: -736.868 Base-Backbone interact. energy: -2.991 local terms energy: -794.051071 where: bonds (distance) C4'-P energy: -132.200 bonds (distance) P-C4' energy: -154.906 flat angles C4'-P-C4' energy: -169.062 flat angles P-C4'-P energy: -115.803 tors. eta vs tors. theta energy: -222.080 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: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2346.708825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.708825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.708825 (E_RNA) where: Base-Base interactions energy: -1607.471 where: short stacking energy: -649.921 Base-Backbone interact. energy: 0.029 local terms energy: -739.266460 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -142.723 flat angles C4'-P-C4' energy: -167.716 flat angles P-C4'-P energy: -102.989 tors. eta vs tors. theta energy: -181.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2206.049809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.049809 (E_RNA) where: Base-Base interactions energy: -1474.330 where: short stacking energy: -659.880 Base-Backbone interact. energy: -3.309 local terms energy: -728.411312 where: bonds (distance) C4'-P energy: -137.894 bonds (distance) P-C4' energy: -142.617 flat angles C4'-P-C4' energy: -155.270 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -184.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1980.588333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.588333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.588333 (E_RNA) where: Base-Base interactions energy: -1330.236 where: short stacking energy: -574.118 Base-Backbone interact. energy: -1.681 local terms energy: -648.670919 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -134.573 flat angles C4'-P-C4' energy: -145.489 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -154.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1812.677220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.677220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.677220 (E_RNA) where: Base-Base interactions energy: -1202.126 where: short stacking energy: -547.676 Base-Backbone interact. energy: 0.963 local terms energy: -611.513606 where: bonds (distance) C4'-P energy: -128.756 bonds (distance) P-C4' energy: -134.437 flat angles C4'-P-C4' energy: -124.510 flat angles P-C4'-P energy: -99.343 tors. eta vs tors. theta energy: -124.467 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: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1489.957986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.957986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.957986 (E_RNA) where: Base-Base interactions energy: -956.292 where: short stacking energy: -444.467 Base-Backbone interact. energy: -2.673 local terms energy: -530.993120 where: bonds (distance) C4'-P energy: -90.372 bonds (distance) P-C4' energy: -148.619 flat angles C4'-P-C4' energy: -132.725 flat angles P-C4'-P energy: -71.118 tors. eta vs tors. theta energy: -88.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1045.993631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.993631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.993631 (E_RNA) where: Base-Base interactions energy: -599.917 where: short stacking energy: -332.963 Base-Backbone interact. energy: -0.670 local terms energy: -445.407190 where: bonds (distance) C4'-P energy: -125.111 bonds (distance) P-C4' energy: -126.181 flat angles C4'-P-C4' energy: -109.286 flat angles P-C4'-P energy: -63.488 tors. eta vs tors. theta energy: -21.341 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -736.971104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.971104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.971104 (E_RNA) where: Base-Base interactions energy: -352.842 where: short stacking energy: -208.532 Base-Backbone interact. energy: -2.722 local terms energy: -381.407212 where: bonds (distance) C4'-P energy: -103.909 bonds (distance) P-C4' energy: -132.354 flat angles C4'-P-C4' energy: -113.878 flat angles P-C4'-P energy: -60.860 tors. eta vs tors. theta energy: 29.594 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: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2743.073306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.073306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.073306 (E_RNA) where: Base-Base interactions energy: -1859.372 where: short stacking energy: -845.925 Base-Backbone interact. energy: -2.303 local terms energy: -881.398439 where: bonds (distance) C4'-P energy: -145.048 bonds (distance) P-C4' energy: -150.075 flat angles C4'-P-C4' energy: -185.286 flat angles P-C4'-P energy: -131.172 tors. eta vs tors. theta energy: -269.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2600.046992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.046992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.046992 (E_RNA) where: Base-Base interactions energy: -1805.350 where: short stacking energy: -732.757 Base-Backbone interact. energy: -5.510 local terms energy: -789.187241 where: bonds (distance) C4'-P energy: -137.070 bonds (distance) P-C4' energy: -151.867 flat angles C4'-P-C4' energy: -172.888 flat angles P-C4'-P energy: -110.914 tors. eta vs tors. theta energy: -216.447 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: 331 Temperature: 1.000000 Total energy: -2476.085307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.085307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.085307 (E_RNA) where: Base-Base interactions energy: -1698.995 where: short stacking energy: -722.895 Base-Backbone interact. energy: -1.134 local terms energy: -775.955932 where: bonds (distance) C4'-P energy: -129.261 bonds (distance) P-C4' energy: -145.537 flat angles C4'-P-C4' energy: -167.252 flat angles P-C4'-P energy: -126.323 tors. eta vs tors. theta energy: -207.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2343.625922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.625922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.625922 (E_RNA) where: Base-Base interactions energy: -1629.679 where: short stacking energy: -661.172 Base-Backbone interact. energy: -3.135 local terms energy: -710.811258 where: bonds (distance) C4'-P energy: -147.250 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -146.320 flat angles P-C4'-P energy: -101.863 tors. eta vs tors. theta energy: -169.294 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: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2216.424008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.424008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.424008 (E_RNA) where: Base-Base interactions energy: -1507.775 where: short stacking energy: -664.938 Base-Backbone interact. energy: -1.481 local terms energy: -707.168179 where: bonds (distance) C4'-P energy: -138.197 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -186.867 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: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1998.348858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.348858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.348858 (E_RNA) where: Base-Base interactions energy: -1321.835 where: short stacking energy: -560.570 Base-Backbone interact. energy: 2.120 local terms energy: -678.634575 where: bonds (distance) C4'-P energy: -145.029 bonds (distance) P-C4' energy: -139.161 flat angles C4'-P-C4' energy: -147.727 flat angles P-C4'-P energy: -101.705 tors. eta vs tors. theta energy: -145.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1855.267000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.267000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.267000 (E_RNA) where: Base-Base interactions energy: -1236.120 where: short stacking energy: -526.325 Base-Backbone interact. energy: 2.462 local terms energy: -621.609056 where: bonds (distance) C4'-P energy: -138.643 bonds (distance) P-C4' energy: -129.696 flat angles C4'-P-C4' energy: -142.214 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -129.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1526.165220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.165220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.165220 (E_RNA) where: Base-Base interactions energy: -966.901 where: short stacking energy: -434.905 Base-Backbone interact. energy: -0.302 local terms energy: -558.962000 where: bonds (distance) C4'-P energy: -102.641 bonds (distance) P-C4' energy: -148.010 flat angles C4'-P-C4' energy: -151.831 flat angles P-C4'-P energy: -74.218 tors. eta vs tors. theta energy: -82.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1081.693714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.693714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.693714 (E_RNA) where: Base-Base interactions energy: -612.188 where: short stacking energy: -314.435 Base-Backbone interact. energy: -3.570 local terms energy: -465.935092 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -130.153 flat angles C4'-P-C4' energy: -123.383 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -743.573182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.573182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.573182 (E_RNA) where: Base-Base interactions energy: -346.618 where: short stacking energy: -213.085 Base-Backbone interact. energy: 4.669 local terms energy: -401.624526 where: bonds (distance) C4'-P energy: -130.337 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -105.968 flat angles P-C4'-P energy: -59.243 tors. eta vs tors. theta energy: 27.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2755.842901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.842901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.842901 (E_RNA) where: Base-Base interactions energy: -1872.440 where: short stacking energy: -844.860 Base-Backbone interact. energy: 0.090 local terms energy: -883.492689 where: bonds (distance) C4'-P energy: -139.984 bonds (distance) P-C4' energy: -166.396 flat angles C4'-P-C4' energy: -190.368 flat angles P-C4'-P energy: -117.841 tors. eta vs tors. theta energy: -268.903 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: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2642.400297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.400297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.400297 (E_RNA) where: Base-Base interactions energy: -1860.270 where: short stacking energy: -763.830 Base-Backbone interact. energy: -7.064 local terms energy: -775.066075 where: bonds (distance) C4'-P energy: -139.597 bonds (distance) P-C4' energy: -146.075 flat angles C4'-P-C4' energy: -172.235 flat angles P-C4'-P energy: -106.109 tors. eta vs tors. theta energy: -211.051 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: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2461.451956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.451956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.451956 (E_RNA) where: Base-Base interactions energy: -1704.992 where: short stacking energy: -720.907 Base-Backbone interact. energy: -4.243 local terms energy: -752.216540 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -171.191 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -203.871 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: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2369.342640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.342640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.342640 (E_RNA) where: Base-Base interactions energy: -1669.674 where: short stacking energy: -683.402 Base-Backbone interact. energy: -2.895 local terms energy: -696.773682 where: bonds (distance) C4'-P energy: -133.812 bonds (distance) P-C4' energy: -144.427 flat angles C4'-P-C4' energy: -150.962 flat angles P-C4'-P energy: -87.573 tors. eta vs tors. theta energy: -180.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2243.315860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.315860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.315860 (E_RNA) where: Base-Base interactions energy: -1493.118 where: short stacking energy: -661.244 Base-Backbone interact. energy: -1.225 local terms energy: -748.972720 where: bonds (distance) C4'-P energy: -151.642 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -148.243 flat angles P-C4'-P energy: -94.209 tors. eta vs tors. theta energy: -202.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2056.606893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.606893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.606893 (E_RNA) where: Base-Base interactions energy: -1403.998 where: short stacking energy: -639.082 Base-Backbone interact. energy: -3.188 local terms energy: -649.421540 where: bonds (distance) C4'-P energy: -104.101 bonds (distance) P-C4' energy: -136.581 flat angles C4'-P-C4' energy: -149.831 flat angles P-C4'-P energy: -100.597 tors. eta vs tors. theta energy: -158.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1854.248899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.248899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.248899 (E_RNA) where: Base-Base interactions energy: -1248.680 where: short stacking energy: -541.442 Base-Backbone interact. energy: -1.674 local terms energy: -603.894837 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -148.927 flat angles C4'-P-C4' energy: -138.409 flat angles P-C4'-P energy: -83.460 tors. eta vs tors. theta energy: -125.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1386.448523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.448523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.448523 (E_RNA) where: Base-Base interactions energy: -852.515 where: short stacking energy: -403.243 Base-Backbone interact. energy: -1.558 local terms energy: -532.375800 where: bonds (distance) C4'-P energy: -114.795 bonds (distance) P-C4' energy: -139.255 flat angles C4'-P-C4' energy: -111.567 flat angles P-C4'-P energy: -97.208 tors. eta vs tors. theta energy: -69.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1017.972233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.972233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.972233 (E_RNA) where: Base-Base interactions energy: -581.248 where: short stacking energy: -331.724 Base-Backbone interact. energy: -3.156 local terms energy: -433.567821 where: bonds (distance) C4'-P energy: -121.690 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -24.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -737.470211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.470211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.470211 (E_RNA) where: Base-Base interactions energy: -355.402 where: short stacking energy: -209.898 Base-Backbone interact. energy: 4.652 local terms energy: -386.720146 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -97.614 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: 8.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2745.509945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.509945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.509945 (E_RNA) where: Base-Base interactions energy: -1877.565 where: short stacking energy: -820.543 Base-Backbone interact. energy: -3.978 local terms energy: -863.966667 where: bonds (distance) C4'-P energy: -140.039 bonds (distance) P-C4' energy: -152.363 flat angles C4'-P-C4' energy: -189.080 flat angles P-C4'-P energy: -119.458 tors. eta vs tors. theta energy: -263.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2620.588808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.588808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.588808 (E_RNA) where: Base-Base interactions energy: -1841.600 where: short stacking energy: -753.895 Base-Backbone interact. energy: -4.301 local terms energy: -774.687745 where: bonds (distance) C4'-P energy: -140.980 bonds (distance) P-C4' energy: -139.139 flat angles C4'-P-C4' energy: -159.982 flat angles P-C4'-P energy: -122.172 tors. eta vs tors. theta energy: -212.415 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: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2468.908860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.908860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.908860 (E_RNA) where: Base-Base interactions energy: -1704.944 where: short stacking energy: -712.373 Base-Backbone interact. energy: -2.366 local terms energy: -761.598809 where: bonds (distance) C4'-P energy: -143.292 bonds (distance) P-C4' energy: -149.932 flat angles C4'-P-C4' energy: -158.800 flat angles P-C4'-P energy: -109.796 tors. eta vs tors. theta energy: -199.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2347.592987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.592987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.592987 (E_RNA) where: Base-Base interactions energy: -1633.188 where: short stacking energy: -663.263 Base-Backbone interact. energy: -4.106 local terms energy: -710.299004 where: bonds (distance) C4'-P energy: -155.498 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -155.672 flat angles P-C4'-P energy: -91.857 tors. eta vs tors. theta energy: -184.957 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2191.880766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.880766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.880766 (E_RNA) where: Base-Base interactions energy: -1485.765 where: short stacking energy: -628.824 Base-Backbone interact. energy: -0.415 local terms energy: -705.700435 where: bonds (distance) C4'-P energy: -148.059 bonds (distance) P-C4' energy: -123.252 flat angles C4'-P-C4' energy: -145.026 flat angles P-C4'-P energy: -109.380 tors. eta vs tors. theta energy: -179.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2057.404472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.404472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.404472 (E_RNA) where: Base-Base interactions energy: -1409.744 where: short stacking energy: -600.274 Base-Backbone interact. energy: 6.036 local terms energy: -653.696848 where: bonds (distance) C4'-P energy: -122.496 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -149.836 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -141.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1829.817106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.817106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.817106 (E_RNA) where: Base-Base interactions energy: -1227.555 where: short stacking energy: -532.885 Base-Backbone interact. energy: 2.478 local terms energy: -604.739434 where: bonds (distance) C4'-P energy: -133.643 bonds (distance) P-C4' energy: -135.695 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -114.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1397.611736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.611736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.611736 (E_RNA) where: Base-Base interactions energy: -898.653 where: short stacking energy: -420.259 Base-Backbone interact. energy: 0.233 local terms energy: -499.192028 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -133.142 flat angles C4'-P-C4' energy: -116.531 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1159.956858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.956858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.956858 (E_RNA) where: Base-Base interactions energy: -676.121 where: short stacking energy: -322.298 Base-Backbone interact. energy: -2.593 local terms energy: -481.242982 where: bonds (distance) C4'-P energy: -121.415 bonds (distance) P-C4' energy: -135.922 flat angles C4'-P-C4' energy: -112.591 flat angles P-C4'-P energy: -66.082 tors. eta vs tors. theta energy: -45.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -783.499089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.499089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.499089 (E_RNA) where: Base-Base interactions energy: -378.879 where: short stacking energy: -234.800 Base-Backbone interact. energy: -0.650 local terms energy: -403.970255 where: bonds (distance) C4'-P energy: -118.966 bonds (distance) P-C4' energy: -114.442 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: 7.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2748.174599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.174599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.174599 (E_RNA) where: Base-Base interactions energy: -1868.221 where: short stacking energy: -860.425 Base-Backbone interact. energy: -3.064 local terms energy: -876.889534 where: bonds (distance) C4'-P energy: -152.985 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -179.859 flat angles P-C4'-P energy: -119.890 tors. eta vs tors. theta energy: -265.987 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: 334 Temperature: 0.950000 Total energy: -2600.977048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.977048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.977048 (E_RNA) where: Base-Base interactions energy: -1798.461 where: short stacking energy: -759.090 Base-Backbone interact. energy: -4.171 local terms energy: -798.344830 where: bonds (distance) C4'-P energy: -157.994 bonds (distance) P-C4' energy: -152.213 flat angles C4'-P-C4' energy: -162.650 flat angles P-C4'-P energy: -118.861 tors. eta vs tors. theta energy: -206.628 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: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2503.604245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.604245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.604245 (E_RNA) where: Base-Base interactions energy: -1718.361 where: short stacking energy: -745.506 Base-Backbone interact. energy: 1.198 local terms energy: -786.440616 where: bonds (distance) C4'-P energy: -137.956 bonds (distance) P-C4' energy: -146.290 flat angles C4'-P-C4' energy: -170.532 flat angles P-C4'-P energy: -114.809 tors. eta vs tors. theta energy: -216.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2361.856156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.856156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.856156 (E_RNA) where: Base-Base interactions energy: -1639.212 where: short stacking energy: -670.422 Base-Backbone interact. energy: -2.744 local terms energy: -719.899860 where: bonds (distance) C4'-P energy: -118.940 bonds (distance) P-C4' energy: -152.108 flat angles C4'-P-C4' energy: -159.167 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -184.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2249.275835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.275835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.275835 (E_RNA) where: Base-Base interactions energy: -1546.769 where: short stacking energy: -644.731 Base-Backbone interact. energy: 4.372 local terms energy: -706.878308 where: bonds (distance) C4'-P energy: -108.050 bonds (distance) P-C4' energy: -154.575 flat angles C4'-P-C4' energy: -152.036 flat angles P-C4'-P energy: -106.551 tors. eta vs tors. theta energy: -185.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2031.038168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.038168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.038168 (E_RNA) where: Base-Base interactions energy: -1405.416 where: short stacking energy: -599.918 Base-Backbone interact. energy: 4.165 local terms energy: -629.787460 where: bonds (distance) C4'-P energy: -121.235 bonds (distance) P-C4' energy: -138.209 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -144.416 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1790.258395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.258395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.258395 (E_RNA) where: Base-Base interactions energy: -1160.606 where: short stacking energy: -521.434 Base-Backbone interact. energy: 8.176 local terms energy: -637.828565 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -149.730 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: -122.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1365.286378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.286378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.286378 (E_RNA) where: Base-Base interactions energy: -853.882 where: short stacking energy: -408.912 Base-Backbone interact. energy: -2.301 local terms energy: -509.103821 where: bonds (distance) C4'-P energy: -123.900 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -64.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1160.258037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.258037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.258037 (E_RNA) where: Base-Base interactions energy: -657.261 where: short stacking energy: -300.934 Base-Backbone interact. energy: -3.069 local terms energy: -499.928458 where: bonds (distance) C4'-P energy: -124.490 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -82.637 tors. eta vs tors. theta energy: -38.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -723.405943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.405943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.405943 (E_RNA) where: Base-Base interactions energy: -355.643 where: short stacking energy: -222.624 Base-Backbone interact. energy: -0.966 local terms energy: -366.797843 where: bonds (distance) C4'-P energy: -114.901 bonds (distance) P-C4' energy: -123.296 flat angles C4'-P-C4' energy: -86.649 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: 10.531 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2745.700531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.700531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.700531 (E_RNA) where: Base-Base interactions energy: -1884.717 where: short stacking energy: -844.329 Base-Backbone interact. energy: -3.545 local terms energy: -857.439176 where: bonds (distance) C4'-P energy: -140.337 bonds (distance) P-C4' energy: -148.295 flat angles C4'-P-C4' energy: -183.203 flat angles P-C4'-P energy: -121.309 tors. eta vs tors. theta energy: -264.296 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: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2607.119214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.119214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.119214 (E_RNA) where: Base-Base interactions energy: -1804.337 where: short stacking energy: -726.191 Base-Backbone interact. energy: 0.497 local terms energy: -803.279317 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -170.834 flat angles P-C4'-P energy: -116.794 tors. eta vs tors. theta energy: -208.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2522.595479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.595479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.595479 (E_RNA) where: Base-Base interactions energy: -1737.886 where: short stacking energy: -741.725 Base-Backbone interact. energy: 0.262 local terms energy: -784.971889 where: bonds (distance) C4'-P energy: -130.149 bonds (distance) P-C4' energy: -150.491 flat angles C4'-P-C4' energy: -169.536 flat angles P-C4'-P energy: -124.822 tors. eta vs tors. theta energy: -209.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2372.508645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.508645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.508645 (E_RNA) where: Base-Base interactions energy: -1640.490 where: short stacking energy: -655.699 Base-Backbone interact. energy: -4.525 local terms energy: -727.494211 where: bonds (distance) C4'-P energy: -137.478 bonds (distance) P-C4' energy: -145.298 flat angles C4'-P-C4' energy: -160.850 flat angles P-C4'-P energy: -103.903 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: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2228.462551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.462551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.462551 (E_RNA) where: Base-Base interactions energy: -1498.474 where: short stacking energy: -648.113 Base-Backbone interact. energy: -0.983 local terms energy: -729.004908 where: bonds (distance) C4'-P energy: -146.866 bonds (distance) P-C4' energy: -150.030 flat angles C4'-P-C4' energy: -158.498 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -174.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2046.944567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.944567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.944567 (E_RNA) where: Base-Base interactions energy: -1386.076 where: short stacking energy: -570.845 Base-Backbone interact. energy: -0.682 local terms energy: -660.187486 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -134.910 flat angles C4'-P-C4' energy: -138.895 flat angles P-C4'-P energy: -110.674 tors. eta vs tors. theta energy: -149.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1815.847979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.847979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.847979 (E_RNA) where: Base-Base interactions energy: -1215.967 where: short stacking energy: -540.056 Base-Backbone interact. energy: 1.400 local terms energy: -601.280544 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -123.047 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -82.431 tors. eta vs tors. theta energy: -133.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1349.451901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.451901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.451901 (E_RNA) where: Base-Base interactions energy: -821.966 where: short stacking energy: -373.919 Base-Backbone interact. energy: 3.890 local terms energy: -531.375917 where: bonds (distance) C4'-P energy: -134.606 bonds (distance) P-C4' energy: -131.481 flat angles C4'-P-C4' energy: -139.714 flat angles P-C4'-P energy: -78.607 tors. eta vs tors. theta energy: -46.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1102.041985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.041985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.041985 (E_RNA) where: Base-Base interactions energy: -656.576 where: short stacking energy: -347.845 Base-Backbone interact. energy: 0.672 local terms energy: -446.138059 where: bonds (distance) C4'-P energy: -95.510 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -97.166 flat angles P-C4'-P energy: -81.650 tors. eta vs tors. theta energy: -40.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -740.045693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.045693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.045693 (E_RNA) where: Base-Base interactions energy: -335.822 where: short stacking energy: -225.381 Base-Backbone interact. energy: -2.470 local terms energy: -401.753946 where: bonds (distance) C4'-P energy: -111.564 bonds (distance) P-C4' energy: -145.176 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: 5.044 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: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2722.744154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.744154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.744154 (E_RNA) where: Base-Base interactions energy: -1858.876 where: short stacking energy: -836.089 Base-Backbone interact. energy: -1.524 local terms energy: -862.344154 where: bonds (distance) C4'-P energy: -147.454 bonds (distance) P-C4' energy: -153.020 flat angles C4'-P-C4' energy: -184.046 flat angles P-C4'-P energy: -126.071 tors. eta vs tors. theta energy: -251.753 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: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2612.944342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.944342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.944342 (E_RNA) where: Base-Base interactions energy: -1858.756 where: short stacking energy: -770.201 Base-Backbone interact. energy: 0.309 local terms energy: -754.497532 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -139.597 flat angles C4'-P-C4' energy: -167.652 flat angles P-C4'-P energy: -97.038 tors. eta vs tors. theta energy: -214.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2550.430079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.430079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.430079 (E_RNA) where: Base-Base interactions energy: -1762.877 where: short stacking energy: -729.222 Base-Backbone interact. energy: -3.849 local terms energy: -783.703937 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -151.713 flat angles C4'-P-C4' energy: -158.845 flat angles P-C4'-P energy: -121.658 tors. eta vs tors. theta energy: -207.518 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: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2367.862501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.862501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.862501 (E_RNA) where: Base-Base interactions energy: -1632.008 where: short stacking energy: -675.425 Base-Backbone interact. energy: 0.233 local terms energy: -736.087427 where: bonds (distance) C4'-P energy: -145.915 bonds (distance) P-C4' energy: -135.084 flat angles C4'-P-C4' energy: -158.671 flat angles P-C4'-P energy: -112.263 tors. eta vs tors. theta energy: -184.155 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: 336 Temperature: 1.100000 Total energy: -2180.540845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.540845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.540845 (E_RNA) where: Base-Base interactions energy: -1469.832 where: short stacking energy: -634.951 Base-Backbone interact. energy: 1.649 local terms energy: -712.357511 where: bonds (distance) C4'-P energy: -131.643 bonds (distance) P-C4' energy: -141.224 flat angles C4'-P-C4' energy: -157.929 flat angles P-C4'-P energy: -104.864 tors. eta vs tors. theta energy: -176.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1965.620918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.620918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.620918 (E_RNA) where: Base-Base interactions energy: -1314.102 where: short stacking energy: -550.616 Base-Backbone interact. energy: 11.826 local terms energy: -663.344547 where: bonds (distance) C4'-P energy: -142.212 bonds (distance) P-C4' energy: -145.998 flat angles C4'-P-C4' energy: -145.080 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -132.481 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: 336 Temperature: 1.200000 Total energy: -1783.232182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.232182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.232182 (E_RNA) where: Base-Base interactions energy: -1176.640 where: short stacking energy: -513.017 Base-Backbone interact. energy: 2.761 local terms energy: -609.353205 where: bonds (distance) C4'-P energy: -125.765 bonds (distance) P-C4' energy: -134.357 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -95.485 tors. eta vs tors. theta energy: -115.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1324.302659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.302659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.302659 (E_RNA) where: Base-Base interactions energy: -817.547 where: short stacking energy: -390.738 Base-Backbone interact. energy: -2.129 local terms energy: -504.626918 where: bonds (distance) C4'-P energy: -130.643 bonds (distance) P-C4' energy: -120.399 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -87.188 tors. eta vs tors. theta energy: -50.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1001.884502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.884502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.884502 (E_RNA) where: Base-Base interactions energy: -553.012 where: short stacking energy: -299.132 Base-Backbone interact. energy: 4.302 local terms energy: -453.174285 where: bonds (distance) C4'-P energy: -122.273 bonds (distance) P-C4' energy: -135.854 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -50.996 tors. eta vs tors. theta energy: -21.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -731.509727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.509727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.509727 (E_RNA) where: Base-Base interactions energy: -340.924 where: short stacking energy: -212.518 Base-Backbone interact. energy: 4.795 local terms energy: -395.380690 where: bonds (distance) C4'-P energy: -132.878 bonds (distance) P-C4' energy: -124.560 flat angles C4'-P-C4' energy: -112.054 flat angles P-C4'-P energy: -51.921 tors. eta vs tors. theta energy: 26.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2718.662004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.662004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.662004 (E_RNA) where: Base-Base interactions energy: -1858.379 where: short stacking energy: -852.239 Base-Backbone interact. energy: -3.451 local terms energy: -856.832046 where: bonds (distance) C4'-P energy: -166.700 bonds (distance) P-C4' energy: -133.304 flat angles C4'-P-C4' energy: -171.868 flat angles P-C4'-P energy: -126.457 tors. eta vs tors. theta energy: -258.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2626.246576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.246576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.246576 (E_RNA) where: Base-Base interactions energy: -1828.528 where: short stacking energy: -766.074 Base-Backbone interact. energy: -2.775 local terms energy: -794.943659 where: bonds (distance) C4'-P energy: -152.650 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -166.403 flat angles P-C4'-P energy: -118.848 tors. eta vs tors. theta energy: -213.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2502.200018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.200018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.200018 (E_RNA) where: Base-Base interactions energy: -1693.015 where: short stacking energy: -712.375 Base-Backbone interact. energy: 1.129 local terms energy: -810.313579 where: bonds (distance) C4'-P energy: -145.313 bonds (distance) P-C4' energy: -147.088 flat angles C4'-P-C4' energy: -178.771 flat angles P-C4'-P energy: -130.732 tors. eta vs tors. theta energy: -208.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2352.971352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.971352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.971352 (E_RNA) where: Base-Base interactions energy: -1599.998 where: short stacking energy: -671.164 Base-Backbone interact. energy: -5.354 local terms energy: -747.619408 where: bonds (distance) C4'-P energy: -140.634 bonds (distance) P-C4' energy: -139.398 flat angles C4'-P-C4' energy: -160.935 flat angles P-C4'-P energy: -113.403 tors. eta vs tors. theta energy: -193.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2160.576098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.576098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.576098 (E_RNA) where: Base-Base interactions energy: -1465.675 where: short stacking energy: -646.096 Base-Backbone interact. energy: -3.374 local terms energy: -691.526231 where: bonds (distance) C4'-P energy: -127.738 bonds (distance) P-C4' energy: -144.198 flat angles C4'-P-C4' energy: -155.624 flat angles P-C4'-P energy: -96.687 tors. eta vs tors. theta energy: -167.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2051.652576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.652576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.652576 (E_RNA) where: Base-Base interactions energy: -1388.090 where: short stacking energy: -587.329 Base-Backbone interact. energy: -3.216 local terms energy: -660.346216 where: bonds (distance) C4'-P energy: -124.861 bonds (distance) P-C4' energy: -131.412 flat angles C4'-P-C4' energy: -159.717 flat angles P-C4'-P energy: -91.968 tors. eta vs tors. theta energy: -152.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1795.718129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.718129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.718129 (E_RNA) where: Base-Base interactions energy: -1166.262 where: short stacking energy: -528.127 Base-Backbone interact. energy: -0.505 local terms energy: -628.951143 where: bonds (distance) C4'-P energy: -115.254 bonds (distance) P-C4' energy: -151.656 flat angles C4'-P-C4' energy: -160.655 flat angles P-C4'-P energy: -83.778 tors. eta vs tors. theta energy: -117.608 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: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1359.587228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.587228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.587228 (E_RNA) where: Base-Base interactions energy: -853.544 where: short stacking energy: -392.029 Base-Backbone interact. energy: 0.792 local terms energy: -506.834930 where: bonds (distance) C4'-P energy: -122.063 bonds (distance) P-C4' energy: -130.548 flat angles C4'-P-C4' energy: -131.891 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -53.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1011.146020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.146020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.146020 (E_RNA) where: Base-Base interactions energy: -533.652 where: short stacking energy: -267.859 Base-Backbone interact. energy: 6.647 local terms energy: -484.141667 where: bonds (distance) C4'-P energy: -121.824 bonds (distance) P-C4' energy: -129.152 flat angles C4'-P-C4' energy: -119.536 flat angles P-C4'-P energy: -83.597 tors. eta vs tors. theta energy: -30.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -730.496870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.496870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.496870 (E_RNA) where: Base-Base interactions energy: -324.002 where: short stacking energy: -202.520 Base-Backbone interact. energy: 1.234 local terms energy: -407.729585 where: bonds (distance) C4'-P energy: -111.389 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -114.458 flat angles P-C4'-P energy: -75.395 tors. eta vs tors. theta energy: 28.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2741.804185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.804185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.804185 (E_RNA) where: Base-Base interactions energy: -1854.912 where: short stacking energy: -822.268 Base-Backbone interact. energy: -7.292 local terms energy: -879.599497 where: bonds (distance) C4'-P energy: -151.609 bonds (distance) P-C4' energy: -160.581 flat angles C4'-P-C4' energy: -178.021 flat angles P-C4'-P energy: -129.438 tors. eta vs tors. theta energy: -259.950 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: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2602.202153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.202153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.202153 (E_RNA) where: Base-Base interactions energy: -1822.040 where: short stacking energy: -756.092 Base-Backbone interact. energy: -2.260 local terms energy: -777.902116 where: bonds (distance) C4'-P energy: -148.056 bonds (distance) P-C4' energy: -146.016 flat angles C4'-P-C4' energy: -165.524 flat angles P-C4'-P energy: -107.829 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: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2516.730290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.730290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.730290 (E_RNA) where: Base-Base interactions energy: -1741.185 where: short stacking energy: -726.300 Base-Backbone interact. energy: -4.045 local terms energy: -771.499814 where: bonds (distance) C4'-P energy: -146.759 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -167.299 flat angles P-C4'-P energy: -108.710 tors. eta vs tors. theta energy: -212.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2351.208115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.208115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.208115 (E_RNA) where: Base-Base interactions energy: -1592.285 where: short stacking energy: -653.135 Base-Backbone interact. energy: 1.204 local terms energy: -760.127245 where: bonds (distance) C4'-P energy: -145.553 bonds (distance) P-C4' energy: -155.128 flat angles C4'-P-C4' energy: -166.122 flat angles P-C4'-P energy: -108.425 tors. eta vs tors. theta energy: -184.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2146.147071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.147071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.147071 (E_RNA) where: Base-Base interactions energy: -1423.778 where: short stacking energy: -628.961 Base-Backbone interact. energy: 0.012 local terms energy: -722.381651 where: bonds (distance) C4'-P energy: -142.399 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -159.376 flat angles P-C4'-P energy: -103.063 tors. eta vs tors. theta energy: -182.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2054.832854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.832854 (E_RNA) where: Base-Base interactions energy: -1391.690 where: short stacking energy: -599.869 Base-Backbone interact. energy: -0.183 local terms energy: -662.960242 where: bonds (distance) C4'-P energy: -131.083 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -146.616 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1792.533892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.533892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.533892 (E_RNA) where: Base-Base interactions energy: -1156.003 where: short stacking energy: -510.745 Base-Backbone interact. energy: -0.610 local terms energy: -635.920627 where: bonds (distance) C4'-P energy: -117.184 bonds (distance) P-C4' energy: -132.097 flat angles C4'-P-C4' energy: -149.657 flat angles P-C4'-P energy: -107.957 tors. eta vs tors. theta energy: -129.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1361.894317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.894317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.894317 (E_RNA) where: Base-Base interactions energy: -830.084 where: short stacking energy: -380.708 Base-Backbone interact. energy: -3.089 local terms energy: -528.720905 where: bonds (distance) C4'-P energy: -138.816 bonds (distance) P-C4' energy: -124.275 flat angles C4'-P-C4' energy: -133.729 flat angles P-C4'-P energy: -63.002 tors. eta vs tors. theta energy: -68.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1054.551208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.551208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.551208 (E_RNA) where: Base-Base interactions energy: -590.343 where: short stacking energy: -311.184 Base-Backbone interact. energy: 2.796 local terms energy: -467.004440 where: bonds (distance) C4'-P energy: -141.258 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -133.697 flat angles P-C4'-P energy: -63.020 tors. eta vs tors. theta energy: -21.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -727.917539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.917539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.917539 (E_RNA) where: Base-Base interactions energy: -338.667 where: short stacking energy: -204.261 Base-Backbone interact. energy: 0.350 local terms energy: -389.600942 where: bonds (distance) C4'-P energy: -103.337 bonds (distance) P-C4' energy: -138.409 flat angles C4'-P-C4' energy: -99.587 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: 18.396 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: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2736.558947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.558947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.558947 (E_RNA) where: Base-Base interactions energy: -1862.116 where: short stacking energy: -845.908 Base-Backbone interact. energy: -2.837 local terms energy: -871.606027 where: bonds (distance) C4'-P energy: -144.112 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -181.166 flat angles P-C4'-P energy: -126.998 tors. eta vs tors. theta energy: -264.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2595.796411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.796411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.796411 (E_RNA) where: Base-Base interactions energy: -1799.073 where: short stacking energy: -733.272 Base-Backbone interact. energy: 0.280 local terms energy: -797.003892 where: bonds (distance) C4'-P energy: -146.295 bonds (distance) P-C4' energy: -154.589 flat angles C4'-P-C4' energy: -167.623 flat angles P-C4'-P energy: -117.694 tors. eta vs tors. theta energy: -210.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2508.769307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.769307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.769307 (E_RNA) where: Base-Base interactions energy: -1740.893 where: short stacking energy: -728.031 Base-Backbone interact. energy: -3.975 local terms energy: -763.901175 where: bonds (distance) C4'-P energy: -150.730 bonds (distance) P-C4' energy: -137.535 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -109.483 tors. eta vs tors. theta energy: -208.068 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: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2343.123440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.123440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.123440 (E_RNA) where: Base-Base interactions energy: -1633.567 where: short stacking energy: -684.629 Base-Backbone interact. energy: 6.342 local terms energy: -715.899289 where: bonds (distance) C4'-P energy: -142.002 bonds (distance) P-C4' energy: -137.432 flat angles C4'-P-C4' energy: -165.947 flat angles P-C4'-P energy: -91.343 tors. eta vs tors. theta energy: -179.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2185.672251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.672251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.672251 (E_RNA) where: Base-Base interactions energy: -1483.421 where: short stacking energy: -650.956 Base-Backbone interact. energy: -2.159 local terms energy: -700.091506 where: bonds (distance) C4'-P energy: -121.034 bonds (distance) P-C4' energy: -140.792 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -113.183 tors. eta vs tors. theta energy: -187.805 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: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2041.425955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.425955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.425955 (E_RNA) where: Base-Base interactions energy: -1383.785 where: short stacking energy: -626.155 Base-Backbone interact. energy: 2.845 local terms energy: -660.486610 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -124.114 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -166.978 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: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1820.525403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.525403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.525403 (E_RNA) where: Base-Base interactions energy: -1210.319 where: short stacking energy: -555.749 Base-Backbone interact. energy: -3.773 local terms energy: -606.433247 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -127.747 flat angles C4'-P-C4' energy: -145.315 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -127.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1435.245305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.245305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.245305 (E_RNA) where: Base-Base interactions energy: -883.663 where: short stacking energy: -415.320 Base-Backbone interact. energy: 0.804 local terms energy: -552.386620 where: bonds (distance) C4'-P energy: -111.863 bonds (distance) P-C4' energy: -125.327 flat angles C4'-P-C4' energy: -142.416 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -88.092 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: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1035.257143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.257143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.257143 (E_RNA) where: Base-Base interactions energy: -571.708 where: short stacking energy: -302.924 Base-Backbone interact. energy: -0.926 local terms energy: -462.623389 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -146.545 flat angles C4'-P-C4' energy: -99.181 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -18.627 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: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -700.605963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.605963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.605963 (E_RNA) where: Base-Base interactions energy: -313.557 where: short stacking energy: -199.761 Base-Backbone interact. energy: -0.708 local terms energy: -386.341050 where: bonds (distance) C4'-P energy: -121.092 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -92.149 flat angles P-C4'-P energy: -61.092 tors. eta vs tors. theta energy: 25.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2751.128762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.128762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.128762 (E_RNA) where: Base-Base interactions energy: -1843.671 where: short stacking energy: -833.130 Base-Backbone interact. energy: -3.425 local terms energy: -904.033009 where: bonds (distance) C4'-P energy: -159.699 bonds (distance) P-C4' energy: -160.700 flat angles C4'-P-C4' energy: -186.966 flat angles P-C4'-P energy: -126.469 tors. eta vs tors. theta energy: -270.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2598.216708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.216708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.216708 (E_RNA) where: Base-Base interactions energy: -1817.264 where: short stacking energy: -721.539 Base-Backbone interact. energy: -0.680 local terms energy: -780.272333 where: bonds (distance) C4'-P energy: -151.957 bonds (distance) P-C4' energy: -160.483 flat angles C4'-P-C4' energy: -168.131 flat angles P-C4'-P energy: -99.665 tors. eta vs tors. theta energy: -200.036 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: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2537.447261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.447261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.447261 (E_RNA) where: Base-Base interactions energy: -1745.765 where: short stacking energy: -726.615 Base-Backbone interact. energy: 0.048 local terms energy: -791.730323 where: bonds (distance) C4'-P energy: -147.060 bonds (distance) P-C4' energy: -150.844 flat angles C4'-P-C4' energy: -174.205 flat angles P-C4'-P energy: -104.124 tors. eta vs tors. theta energy: -215.498 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: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2381.170995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.170995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.170995 (E_RNA) where: Base-Base interactions energy: -1658.300 where: short stacking energy: -696.525 Base-Backbone interact. energy: -1.597 local terms energy: -721.274612 where: bonds (distance) C4'-P energy: -130.754 bonds (distance) P-C4' energy: -131.623 flat angles C4'-P-C4' energy: -165.140 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -184.815 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: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2198.995907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.995907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.995907 (E_RNA) where: Base-Base interactions energy: -1498.276 where: short stacking energy: -643.171 Base-Backbone interact. energy: -2.607 local terms energy: -698.113252 where: bonds (distance) C4'-P energy: -135.632 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -161.617 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -180.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1992.413761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.413761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.413761 (E_RNA) where: Base-Base interactions energy: -1352.073 where: short stacking energy: -601.486 Base-Backbone interact. energy: -0.701 local terms energy: -639.639976 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -129.309 flat angles C4'-P-C4' energy: -138.701 flat angles P-C4'-P energy: -95.582 tors. eta vs tors. theta energy: -152.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1755.356986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.356986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.356986 (E_RNA) where: Base-Base interactions energy: -1143.384 where: short stacking energy: -536.847 Base-Backbone interact. energy: -4.835 local terms energy: -607.138364 where: bonds (distance) C4'-P energy: -114.941 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -123.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1439.919582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.919582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.919582 (E_RNA) where: Base-Base interactions energy: -915.913 where: short stacking energy: -432.006 Base-Backbone interact. energy: -1.198 local terms energy: -522.808325 where: bonds (distance) C4'-P energy: -111.729 bonds (distance) P-C4' energy: -122.795 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -81.043 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: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1060.735150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.735150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.735150 (E_RNA) where: Base-Base interactions energy: -602.384 where: short stacking energy: -333.199 Base-Backbone interact. energy: 1.751 local terms energy: -460.102252 where: bonds (distance) C4'-P energy: -136.872 bonds (distance) P-C4' energy: -102.483 flat angles C4'-P-C4' energy: -109.159 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -43.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -752.198295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.198295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.198295 (E_RNA) where: Base-Base interactions energy: -379.365 where: short stacking energy: -212.403 Base-Backbone interact. energy: 1.520 local terms energy: -374.352863 where: bonds (distance) C4'-P energy: -115.241 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -95.742 flat angles P-C4'-P energy: -54.634 tors. eta vs tors. theta energy: 8.586 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: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2731.331197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.331197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.331197 (E_RNA) where: Base-Base interactions energy: -1876.716 where: short stacking energy: -842.674 Base-Backbone interact. energy: -2.525 local terms energy: -852.089909 where: bonds (distance) C4'-P energy: -151.225 bonds (distance) P-C4' energy: -152.648 flat angles C4'-P-C4' energy: -183.425 flat angles P-C4'-P energy: -111.132 tors. eta vs tors. theta energy: -253.660 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: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2647.549672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.549672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.549672 (E_RNA) where: Base-Base interactions energy: -1848.522 where: short stacking energy: -732.200 Base-Backbone interact. energy: 5.366 local terms energy: -804.392743 where: bonds (distance) C4'-P energy: -147.975 bonds (distance) P-C4' energy: -160.345 flat angles C4'-P-C4' energy: -175.672 flat angles P-C4'-P energy: -112.008 tors. eta vs tors. theta energy: -208.393 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: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2490.492918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.492918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.492918 (E_RNA) where: Base-Base interactions energy: -1707.504 where: short stacking energy: -723.640 Base-Backbone interact. energy: -0.724 local terms energy: -782.264927 where: bonds (distance) C4'-P energy: -138.717 bonds (distance) P-C4' energy: -149.508 flat angles C4'-P-C4' energy: -166.789 flat angles P-C4'-P energy: -118.264 tors. eta vs tors. theta energy: -208.987 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: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2315.638895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.638895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.638895 (E_RNA) where: Base-Base interactions energy: -1593.530 where: short stacking energy: -644.739 Base-Backbone interact. energy: -2.986 local terms energy: -719.122315 where: bonds (distance) C4'-P energy: -148.646 bonds (distance) P-C4' energy: -132.351 flat angles C4'-P-C4' energy: -162.265 flat angles P-C4'-P energy: -112.461 tors. eta vs tors. theta energy: -163.399 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: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2215.632551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.632551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.632551 (E_RNA) where: Base-Base interactions energy: -1509.571 where: short stacking energy: -666.312 Base-Backbone interact. energy: -1.481 local terms energy: -704.579767 where: bonds (distance) C4'-P energy: -129.701 bonds (distance) P-C4' energy: -128.218 flat angles C4'-P-C4' energy: -166.886 flat angles P-C4'-P energy: -95.135 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2006.344816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.344816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.344816 (E_RNA) where: Base-Base interactions energy: -1358.343 where: short stacking energy: -581.617 Base-Backbone interact. energy: 0.176 local terms energy: -648.178033 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -133.128 flat angles C4'-P-C4' energy: -132.569 flat angles P-C4'-P energy: -108.420 tors. eta vs tors. theta energy: -145.116 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1754.808035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.808035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.808035 (E_RNA) where: Base-Base interactions energy: -1153.210 where: short stacking energy: -537.346 Base-Backbone interact. energy: -2.037 local terms energy: -599.561020 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -141.152 flat angles C4'-P-C4' energy: -135.833 flat angles P-C4'-P energy: -90.203 tors. eta vs tors. theta energy: -115.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1520.631501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.631501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.631501 (E_RNA) where: Base-Base interactions energy: -991.139 where: short stacking energy: -450.284 Base-Backbone interact. energy: -0.534 local terms energy: -528.958313 where: bonds (distance) C4'-P energy: -122.196 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -119.475 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -90.514 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: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1067.930641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.930641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.930641 (E_RNA) where: Base-Base interactions energy: -607.873 where: short stacking energy: -323.083 Base-Backbone interact. energy: 4.692 local terms energy: -464.750604 where: bonds (distance) C4'-P energy: -116.821 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -115.177 flat angles P-C4'-P energy: -83.400 tors. eta vs tors. theta energy: -36.708 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: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -816.187409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.187409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.187409 (E_RNA) where: Base-Base interactions energy: -385.208 where: short stacking energy: -232.411 Base-Backbone interact. energy: 0.079 local terms energy: -431.058306 where: bonds (distance) C4'-P energy: -119.895 bonds (distance) P-C4' energy: -118.725 flat angles C4'-P-C4' energy: -114.149 flat angles P-C4'-P energy: -70.271 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2739.655865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.655865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.655865 (E_RNA) where: Base-Base interactions energy: -1872.926 where: short stacking energy: -850.900 Base-Backbone interact. energy: -2.898 local terms energy: -863.831317 where: bonds (distance) C4'-P energy: -144.992 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -169.467 flat angles P-C4'-P energy: -122.895 tors. eta vs tors. theta energy: -265.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2639.222799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.222799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.222799 (E_RNA) where: Base-Base interactions energy: -1851.515 where: short stacking energy: -776.600 Base-Backbone interact. energy: -3.216 local terms energy: -784.491918 where: bonds (distance) C4'-P energy: -146.846 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -167.858 flat angles P-C4'-P energy: -114.214 tors. eta vs tors. theta energy: -213.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2533.261867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.261867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.261867 (E_RNA) where: Base-Base interactions energy: -1762.860 where: short stacking energy: -734.915 Base-Backbone interact. energy: 2.906 local terms energy: -773.307812 where: bonds (distance) C4'-P energy: -144.204 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -157.274 flat angles P-C4'-P energy: -117.390 tors. eta vs tors. theta energy: -212.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2308.152154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.152154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.152154 (E_RNA) where: Base-Base interactions energy: -1570.133 where: short stacking energy: -637.261 Base-Backbone interact. energy: -3.085 local terms energy: -734.934884 where: bonds (distance) C4'-P energy: -144.703 bonds (distance) P-C4' energy: -154.359 flat angles C4'-P-C4' energy: -175.550 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -165.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2178.594578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.594578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.594578 (E_RNA) where: Base-Base interactions energy: -1496.334 where: short stacking energy: -630.816 Base-Backbone interact. energy: -0.168 local terms energy: -682.092386 where: bonds (distance) C4'-P energy: -137.421 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -155.255 flat angles P-C4'-P energy: -100.868 tors. eta vs tors. theta energy: -149.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2015.813799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.813799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.813799 (E_RNA) where: Base-Base interactions energy: -1340.056 where: short stacking energy: -576.147 Base-Backbone interact. energy: -1.809 local terms energy: -673.948540 where: bonds (distance) C4'-P energy: -141.215 bonds (distance) P-C4' energy: -150.646 flat angles C4'-P-C4' energy: -153.802 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -135.927 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: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1794.668397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.668397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.668397 (E_RNA) where: Base-Base interactions energy: -1184.920 where: short stacking energy: -531.871 Base-Backbone interact. energy: -1.745 local terms energy: -608.003350 where: bonds (distance) C4'-P energy: -129.470 bonds (distance) P-C4' energy: -135.691 flat angles C4'-P-C4' energy: -141.983 flat angles P-C4'-P energy: -89.033 tors. eta vs tors. theta energy: -111.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1433.058282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.058282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.058282 (E_RNA) where: Base-Base interactions energy: -915.832 where: short stacking energy: -417.689 Base-Backbone interact. energy: -2.502 local terms energy: -514.724448 where: bonds (distance) C4'-P energy: -99.795 bonds (distance) P-C4' energy: -135.774 flat angles C4'-P-C4' energy: -119.237 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -77.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1151.137293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.137293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.137293 (E_RNA) where: Base-Base interactions energy: -690.556 where: short stacking energy: -327.288 Base-Backbone interact. energy: -1.868 local terms energy: -458.713184 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -105.816 flat angles C4'-P-C4' energy: -121.647 flat angles P-C4'-P energy: -87.710 tors. eta vs tors. theta energy: -30.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -744.929069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.929069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.929069 (E_RNA) where: Base-Base interactions energy: -308.455 where: short stacking energy: -204.417 Base-Backbone interact. energy: 0.272 local terms energy: -436.746181 where: bonds (distance) C4'-P energy: -113.283 bonds (distance) P-C4' energy: -142.193 flat angles C4'-P-C4' energy: -116.320 flat angles P-C4'-P energy: -83.128 tors. eta vs tors. theta energy: 18.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2730.896291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.896291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.896291 (E_RNA) where: Base-Base interactions energy: -1868.076 where: short stacking energy: -857.090 Base-Backbone interact. energy: -1.512 local terms energy: -861.308044 where: bonds (distance) C4'-P energy: -159.535 bonds (distance) P-C4' energy: -134.358 flat angles C4'-P-C4' energy: -181.059 flat angles P-C4'-P energy: -131.278 tors. eta vs tors. theta energy: -255.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2634.458069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.458069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.458069 (E_RNA) where: Base-Base interactions energy: -1837.311 where: short stacking energy: -757.825 Base-Backbone interact. energy: -1.569 local terms energy: -795.578088 where: bonds (distance) C4'-P energy: -153.105 bonds (distance) P-C4' energy: -136.657 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -115.390 tors. eta vs tors. theta energy: -215.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2550.337678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.337678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.337678 (E_RNA) where: Base-Base interactions energy: -1734.078 where: short stacking energy: -758.717 Base-Backbone interact. energy: -3.155 local terms energy: -813.105129 where: bonds (distance) C4'-P energy: -149.766 bonds (distance) P-C4' energy: -154.216 flat angles C4'-P-C4' energy: -167.282 flat angles P-C4'-P energy: -115.970 tors. eta vs tors. theta energy: -225.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2310.873620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.873620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.873620 (E_RNA) where: Base-Base interactions energy: -1608.129 where: short stacking energy: -661.518 Base-Backbone interact. energy: -3.099 local terms energy: -699.645506 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -123.161 flat angles C4'-P-C4' energy: -157.061 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -166.233 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2195.600209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.600209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.600209 (E_RNA) where: Base-Base interactions energy: -1502.818 where: short stacking energy: -633.333 Base-Backbone interact. energy: 1.139 local terms energy: -693.920944 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -145.717 flat angles C4'-P-C4' energy: -143.356 flat angles P-C4'-P energy: -114.213 tors. eta vs tors. theta energy: -166.548 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: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1996.226450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.226450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.226450 (E_RNA) where: Base-Base interactions energy: -1354.137 where: short stacking energy: -561.278 Base-Backbone interact. energy: -5.654 local terms energy: -636.435105 where: bonds (distance) C4'-P energy: -135.330 bonds (distance) P-C4' energy: -136.336 flat angles C4'-P-C4' energy: -141.320 flat angles P-C4'-P energy: -84.951 tors. eta vs tors. theta energy: -138.499 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: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1799.408763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.408763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.408763 (E_RNA) where: Base-Base interactions energy: -1224.368 where: short stacking energy: -542.530 Base-Backbone interact. energy: -0.743 local terms energy: -574.297232 where: bonds (distance) C4'-P energy: -132.567 bonds (distance) P-C4' energy: -114.480 flat angles C4'-P-C4' energy: -144.767 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -115.494 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: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1487.720304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.720304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.720304 (E_RNA) where: Base-Base interactions energy: -951.510 where: short stacking energy: -447.141 Base-Backbone interact. energy: -2.997 local terms energy: -533.213431 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -151.077 flat angles P-C4'-P energy: -80.391 tors. eta vs tors. theta energy: -75.127 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: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1222.065345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.065345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.065345 (E_RNA) where: Base-Base interactions energy: -722.251 where: short stacking energy: -350.435 Base-Backbone interact. energy: -0.003 local terms energy: -499.811966 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -135.058 flat angles C4'-P-C4' energy: -114.006 flat angles P-C4'-P energy: -78.523 tors. eta vs tors. theta energy: -39.999 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: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -745.614332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.614332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.614332 (E_RNA) where: Base-Base interactions energy: -360.998 where: short stacking energy: -214.467 Base-Backbone interact. energy: 4.454 local terms energy: -389.070176 where: bonds (distance) C4'-P energy: -128.047 bonds (distance) P-C4' energy: -113.480 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: 7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2744.046750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.046750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.046750 (E_RNA) where: Base-Base interactions energy: -1875.970 where: short stacking energy: -854.724 Base-Backbone interact. energy: -0.651 local terms energy: -867.425882 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -184.395 flat angles P-C4'-P energy: -131.913 tors. eta vs tors. theta energy: -265.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2566.336949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.336949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.336949 (E_RNA) where: Base-Base interactions energy: -1783.420 where: short stacking energy: -760.940 Base-Backbone interact. energy: -3.104 local terms energy: -779.813331 where: bonds (distance) C4'-P energy: -149.601 bonds (distance) P-C4' energy: -138.985 flat angles C4'-P-C4' energy: -155.342 flat angles P-C4'-P energy: -122.984 tors. eta vs tors. theta energy: -212.901 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: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2504.666533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.666533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.666533 (E_RNA) where: Base-Base interactions energy: -1742.705 where: short stacking energy: -737.293 Base-Backbone interact. energy: -3.866 local terms energy: -758.095874 where: bonds (distance) C4'-P energy: -143.242 bonds (distance) P-C4' energy: -140.107 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -102.485 tors. eta vs tors. theta energy: -203.220 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2285.565184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.565184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.565184 (E_RNA) where: Base-Base interactions energy: -1582.457 where: short stacking energy: -630.190 Base-Backbone interact. energy: 2.500 local terms energy: -705.608425 where: bonds (distance) C4'-P energy: -126.304 bonds (distance) P-C4' energy: -143.853 flat angles C4'-P-C4' energy: -160.946 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -163.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2160.464808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.464808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.464808 (E_RNA) where: Base-Base interactions energy: -1454.454 where: short stacking energy: -621.740 Base-Backbone interact. energy: 2.394 local terms energy: -708.404148 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -153.094 flat angles C4'-P-C4' energy: -155.644 flat angles P-C4'-P energy: -100.712 tors. eta vs tors. theta energy: -163.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2016.614935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.614935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.614935 (E_RNA) where: Base-Base interactions energy: -1359.022 where: short stacking energy: -574.949 Base-Backbone interact. energy: -2.163 local terms energy: -655.430507 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -145.511 flat angles C4'-P-C4' energy: -163.347 flat angles P-C4'-P energy: -89.699 tors. eta vs tors. theta energy: -139.835 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: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1789.378683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.378683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.378683 (E_RNA) where: Base-Base interactions energy: -1171.650 where: short stacking energy: -500.773 Base-Backbone interact. energy: -2.366 local terms energy: -615.362716 where: bonds (distance) C4'-P energy: -131.589 bonds (distance) P-C4' energy: -142.979 flat angles C4'-P-C4' energy: -137.573 flat angles P-C4'-P energy: -99.330 tors. eta vs tors. theta energy: -103.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1331.465597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.465597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.465597 (E_RNA) where: Base-Base interactions energy: -844.653 where: short stacking energy: -404.254 Base-Backbone interact. energy: 5.953 local terms energy: -492.766100 where: bonds (distance) C4'-P energy: -125.251 bonds (distance) P-C4' energy: -115.164 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -65.955 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: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1259.663391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.663391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.663391 (E_RNA) where: Base-Base interactions energy: -754.511 where: short stacking energy: -367.003 Base-Backbone interact. energy: -0.230 local terms energy: -504.921963 where: bonds (distance) C4'-P energy: -135.668 bonds (distance) P-C4' energy: -140.822 flat angles C4'-P-C4' energy: -116.957 flat angles P-C4'-P energy: -66.631 tors. eta vs tors. theta energy: -44.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -788.735899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.735899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.735899 (E_RNA) where: Base-Base interactions energy: -355.841 where: short stacking energy: -227.088 Base-Backbone interact. energy: -1.683 local terms energy: -431.212063 where: bonds (distance) C4'-P energy: -137.337 bonds (distance) P-C4' energy: -128.360 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -52.479 tors. eta vs tors. theta energy: 2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2751.578332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.578332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.578332 (E_RNA) where: Base-Base interactions energy: -1857.406 where: short stacking energy: -836.762 Base-Backbone interact. energy: -1.766 local terms energy: -892.406829 where: bonds (distance) C4'-P energy: -160.424 bonds (distance) P-C4' energy: -154.472 flat angles C4'-P-C4' energy: -176.746 flat angles P-C4'-P energy: -132.053 tors. eta vs tors. theta energy: -268.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2614.775354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.775354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.775354 (E_RNA) where: Base-Base interactions energy: -1813.190 where: short stacking energy: -726.579 Base-Backbone interact. energy: 3.300 local terms energy: -804.885573 where: bonds (distance) C4'-P energy: -149.840 bonds (distance) P-C4' energy: -158.674 flat angles C4'-P-C4' energy: -180.025 flat angles P-C4'-P energy: -120.606 tors. eta vs tors. theta energy: -195.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2478.653834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.653834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.653834 (E_RNA) where: Base-Base interactions energy: -1683.541 where: short stacking energy: -721.271 Base-Backbone interact. energy: -1.444 local terms energy: -793.668999 where: bonds (distance) C4'-P energy: -141.665 bonds (distance) P-C4' energy: -157.447 flat angles C4'-P-C4' energy: -163.387 flat angles P-C4'-P energy: -114.179 tors. eta vs tors. theta energy: -216.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2327.178844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.178844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.178844 (E_RNA) where: Base-Base interactions energy: -1620.404 where: short stacking energy: -665.226 Base-Backbone interact. energy: -3.220 local terms energy: -703.554710 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -159.493 flat angles P-C4'-P energy: -97.693 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: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2183.076562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.076562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.076562 (E_RNA) where: Base-Base interactions energy: -1499.034 where: short stacking energy: -629.652 Base-Backbone interact. energy: -1.775 local terms energy: -682.267275 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -150.603 flat angles C4'-P-C4' energy: -148.191 flat angles P-C4'-P energy: -97.253 tors. eta vs tors. theta energy: -159.436 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: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2067.457753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.457753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.457753 (E_RNA) where: Base-Base interactions energy: -1426.597 where: short stacking energy: -582.934 Base-Backbone interact. energy: -3.344 local terms energy: -637.516989 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -129.416 flat angles C4'-P-C4' energy: -147.425 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -145.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1811.320803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.320803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.320803 (E_RNA) where: Base-Base interactions energy: -1216.805 where: short stacking energy: -522.413 Base-Backbone interact. energy: -1.198 local terms energy: -593.317148 where: bonds (distance) C4'-P energy: -130.839 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -134.637 flat angles P-C4'-P energy: -78.092 tors. eta vs tors. theta energy: -115.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1327.299024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.299024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.299024 (E_RNA) where: Base-Base interactions energy: -818.154 where: short stacking energy: -379.704 Base-Backbone interact. energy: -1.573 local terms energy: -507.571775 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -139.179 flat angles C4'-P-C4' energy: -116.005 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -58.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1277.503944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.503944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.503944 (E_RNA) where: Base-Base interactions energy: -788.442 where: short stacking energy: -377.941 Base-Backbone interact. energy: -1.280 local terms energy: -487.782450 where: bonds (distance) C4'-P energy: -122.200 bonds (distance) P-C4' energy: -117.756 flat angles C4'-P-C4' energy: -113.868 flat angles P-C4'-P energy: -77.059 tors. eta vs tors. theta energy: -56.900 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: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -767.040849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.040849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.040849 (E_RNA) where: Base-Base interactions energy: -342.388 where: short stacking energy: -225.245 Base-Backbone interact. energy: -1.584 local terms energy: -423.068729 where: bonds (distance) C4'-P energy: -122.786 bonds (distance) P-C4' energy: -111.540 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -63.503 tors. eta vs tors. theta energy: -8.327 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: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2760.317077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.317077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.317077 (E_RNA) where: Base-Base interactions energy: -1882.192 where: short stacking energy: -864.313 Base-Backbone interact. energy: -2.973 local terms energy: -875.152138 where: bonds (distance) C4'-P energy: -143.823 bonds (distance) P-C4' energy: -149.094 flat angles C4'-P-C4' energy: -182.913 flat angles P-C4'-P energy: -128.402 tors. eta vs tors. theta energy: -270.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2634.988020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.988020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.988020 (E_RNA) where: Base-Base interactions energy: -1849.401 where: short stacking energy: -752.825 Base-Backbone interact. energy: 5.796 local terms energy: -791.383244 where: bonds (distance) C4'-P energy: -155.737 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -174.014 flat angles P-C4'-P energy: -110.027 tors. eta vs tors. theta energy: -204.101 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: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2465.621851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.621851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.621851 (E_RNA) where: Base-Base interactions energy: -1680.661 where: short stacking energy: -708.285 Base-Backbone interact. energy: -3.980 local terms energy: -780.981063 where: bonds (distance) C4'-P energy: -139.278 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -167.887 flat angles P-C4'-P energy: -114.132 tors. eta vs tors. theta energy: -215.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2324.679839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.679839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.679839 (E_RNA) where: Base-Base interactions energy: -1633.582 where: short stacking energy: -673.385 Base-Backbone interact. energy: -0.530 local terms energy: -690.568360 where: bonds (distance) C4'-P energy: -126.141 bonds (distance) P-C4' energy: -144.135 flat angles C4'-P-C4' energy: -160.602 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -170.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2201.561375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.561375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.561375 (E_RNA) where: Base-Base interactions energy: -1479.036 where: short stacking energy: -648.879 Base-Backbone interact. energy: -1.800 local terms energy: -720.725494 where: bonds (distance) C4'-P energy: -138.210 bonds (distance) P-C4' energy: -136.871 flat angles C4'-P-C4' energy: -161.441 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -183.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2080.862835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.862835 (E_RNA) where: Base-Base interactions energy: -1422.791 where: short stacking energy: -586.248 Base-Backbone interact. energy: -3.652 local terms energy: -654.420318 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -152.615 flat angles P-C4'-P energy: -79.264 tors. eta vs tors. theta energy: -147.056 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: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1922.780178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.780178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.780178 (E_RNA) where: Base-Base interactions energy: -1302.584 where: short stacking energy: -569.227 Base-Backbone interact. energy: -4.476 local terms energy: -615.720783 where: bonds (distance) C4'-P energy: -130.093 bonds (distance) P-C4' energy: -138.421 flat angles C4'-P-C4' energy: -134.374 flat angles P-C4'-P energy: -85.312 tors. eta vs tors. theta energy: -127.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1266.521895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.521895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.521895 (E_RNA) where: Base-Base interactions energy: -754.709 where: short stacking energy: -342.164 Base-Backbone interact. energy: -3.833 local terms energy: -507.980476 where: bonds (distance) C4'-P energy: -133.171 bonds (distance) P-C4' energy: -127.171 flat angles C4'-P-C4' energy: -112.724 flat angles P-C4'-P energy: -86.006 tors. eta vs tors. theta energy: -48.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1232.159422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.159422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.159422 (E_RNA) where: Base-Base interactions energy: -742.277 where: short stacking energy: -359.024 Base-Backbone interact. energy: -0.406 local terms energy: -489.476275 where: bonds (distance) C4'-P energy: -119.053 bonds (distance) P-C4' energy: -121.342 flat angles C4'-P-C4' energy: -118.036 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -65.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -733.981539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.981539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.981539 (E_RNA) where: Base-Base interactions energy: -335.925 where: short stacking energy: -188.722 Base-Backbone interact. energy: -2.804 local terms energy: -395.252063 where: bonds (distance) C4'-P energy: -107.706 bonds (distance) P-C4' energy: -122.705 flat angles C4'-P-C4' energy: -110.120 flat angles P-C4'-P energy: -66.083 tors. eta vs tors. theta energy: 11.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2763.158740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.158740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.158740 (E_RNA) where: Base-Base interactions energy: -1864.036 where: short stacking energy: -844.497 Base-Backbone interact. energy: -1.811 local terms energy: -897.311228 where: bonds (distance) C4'-P energy: -138.406 bonds (distance) P-C4' energy: -170.118 flat angles C4'-P-C4' energy: -185.479 flat angles P-C4'-P energy: -135.791 tors. eta vs tors. theta energy: -267.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2620.032903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.032903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.032903 (E_RNA) where: Base-Base interactions energy: -1847.060 where: short stacking energy: -729.792 Base-Backbone interact. energy: -5.472 local terms energy: -767.500489 where: bonds (distance) C4'-P energy: -136.773 bonds (distance) P-C4' energy: -148.400 flat angles C4'-P-C4' energy: -167.322 flat angles P-C4'-P energy: -111.564 tors. eta vs tors. theta energy: -203.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2492.866815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.866815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.866815 (E_RNA) where: Base-Base interactions energy: -1687.814 where: short stacking energy: -727.653 Base-Backbone interact. energy: -5.128 local terms energy: -799.925034 where: bonds (distance) C4'-P energy: -132.146 bonds (distance) P-C4' energy: -158.032 flat angles C4'-P-C4' energy: -173.672 flat angles P-C4'-P energy: -126.009 tors. eta vs tors. theta energy: -210.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2391.087687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.087687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.087687 (E_RNA) where: Base-Base interactions energy: -1671.196 where: short stacking energy: -704.455 Base-Backbone interact. energy: -2.747 local terms energy: -717.144486 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -152.579 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -190.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2167.150373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.150373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.150373 (E_RNA) where: Base-Base interactions energy: -1462.151 where: short stacking energy: -641.254 Base-Backbone interact. energy: -4.948 local terms energy: -700.052101 where: bonds (distance) C4'-P energy: -130.491 bonds (distance) P-C4' energy: -144.018 flat angles C4'-P-C4' energy: -162.627 flat angles P-C4'-P energy: -97.469 tors. eta vs tors. theta energy: -165.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2045.337855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.337855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.337855 (E_RNA) where: Base-Base interactions energy: -1394.120 where: short stacking energy: -586.108 Base-Backbone interact. energy: -2.472 local terms energy: -648.746124 where: bonds (distance) C4'-P energy: -134.899 bonds (distance) P-C4' energy: -120.634 flat angles C4'-P-C4' energy: -141.996 flat angles P-C4'-P energy: -92.342 tors. eta vs tors. theta energy: -158.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1932.161914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.161914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.161914 (E_RNA) where: Base-Base interactions energy: -1305.355 where: short stacking energy: -573.443 Base-Backbone interact. energy: 9.717 local terms energy: -636.524316 where: bonds (distance) C4'-P energy: -121.215 bonds (distance) P-C4' energy: -127.104 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -156.590 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: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1304.005758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.005758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.005758 (E_RNA) where: Base-Base interactions energy: -762.855 where: short stacking energy: -353.948 Base-Backbone interact. energy: -0.686 local terms energy: -540.464887 where: bonds (distance) C4'-P energy: -117.832 bonds (distance) P-C4' energy: -145.238 flat angles C4'-P-C4' energy: -134.850 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -54.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1195.162000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.162000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.162000 (E_RNA) where: Base-Base interactions energy: -709.530 where: short stacking energy: -349.737 Base-Backbone interact. energy: -1.865 local terms energy: -483.766857 where: bonds (distance) C4'-P energy: -121.061 bonds (distance) P-C4' energy: -119.499 flat angles C4'-P-C4' energy: -111.148 flat angles P-C4'-P energy: -79.977 tors. eta vs tors. theta energy: -52.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -729.873274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.873274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.873274 (E_RNA) where: Base-Base interactions energy: -316.098 where: short stacking energy: -204.718 Base-Backbone interact. energy: -1.389 local terms energy: -412.387066 where: bonds (distance) C4'-P energy: -124.418 bonds (distance) P-C4' energy: -134.819 flat angles C4'-P-C4' energy: -99.224 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: 4.461 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: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2714.700420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.700420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.700420 (E_RNA) where: Base-Base interactions energy: -1850.707 where: short stacking energy: -823.550 Base-Backbone interact. energy: -3.995 local terms energy: -859.998618 where: bonds (distance) C4'-P energy: -159.572 bonds (distance) P-C4' energy: -141.670 flat angles C4'-P-C4' energy: -182.222 flat angles P-C4'-P energy: -110.541 tors. eta vs tors. theta energy: -265.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2631.983649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.983649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.983649 (E_RNA) where: Base-Base interactions energy: -1831.270 where: short stacking energy: -722.142 Base-Backbone interact. energy: -7.555 local terms energy: -793.158765 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -159.569 flat angles C4'-P-C4' energy: -168.510 flat angles P-C4'-P energy: -116.939 tors. eta vs tors. theta energy: -212.597 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: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2462.652577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.652577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.652577 (E_RNA) where: Base-Base interactions energy: -1702.560 where: short stacking energy: -694.607 Base-Backbone interact. energy: -2.070 local terms energy: -758.022229 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -142.933 flat angles C4'-P-C4' energy: -163.381 flat angles P-C4'-P energy: -112.217 tors. eta vs tors. theta energy: -193.309 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: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2388.047008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.047008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.047008 (E_RNA) where: Base-Base interactions energy: -1633.934 where: short stacking energy: -662.803 Base-Backbone interact. energy: -4.463 local terms energy: -749.650557 where: bonds (distance) C4'-P energy: -145.372 bonds (distance) P-C4' energy: -151.202 flat angles C4'-P-C4' energy: -169.899 flat angles P-C4'-P energy: -100.576 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2144.644597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.644597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.644597 (E_RNA) where: Base-Base interactions energy: -1466.005 where: short stacking energy: -653.312 Base-Backbone interact. energy: 1.487 local terms energy: -680.126286 where: bonds (distance) C4'-P energy: -130.716 bonds (distance) P-C4' energy: -132.424 flat angles C4'-P-C4' energy: -155.104 flat angles P-C4'-P energy: -94.147 tors. eta vs tors. theta energy: -167.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2056.667506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.667506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.667506 (E_RNA) where: Base-Base interactions energy: -1406.370 where: short stacking energy: -595.377 Base-Backbone interact. energy: 4.573 local terms energy: -654.871318 where: bonds (distance) C4'-P energy: -125.938 bonds (distance) P-C4' energy: -133.267 flat angles C4'-P-C4' energy: -146.244 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -163.302 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: 348 Temperature: 1.200000 Total energy: -1969.193882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.193882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.193882 (E_RNA) where: Base-Base interactions energy: -1325.970 where: short stacking energy: -567.943 Base-Backbone interact. energy: -2.735 local terms energy: -640.489179 where: bonds (distance) C4'-P energy: -137.997 bonds (distance) P-C4' energy: -130.712 flat angles C4'-P-C4' energy: -148.649 flat angles P-C4'-P energy: -89.471 tors. eta vs tors. theta energy: -133.660 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: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1292.323592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.323592 (E_RNA) where: Base-Base interactions energy: -759.313 where: short stacking energy: -366.198 Base-Backbone interact. energy: -0.754 local terms energy: -532.256329 where: bonds (distance) C4'-P energy: -135.257 bonds (distance) P-C4' energy: -142.235 flat angles C4'-P-C4' energy: -110.093 flat angles P-C4'-P energy: -89.975 tors. eta vs tors. theta energy: -54.696 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: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1159.128186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.128186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.128186 (E_RNA) where: Base-Base interactions energy: -674.190 where: short stacking energy: -317.579 Base-Backbone interact. energy: 3.720 local terms energy: -488.657932 where: bonds (distance) C4'-P energy: -133.227 bonds (distance) P-C4' energy: -136.602 flat angles C4'-P-C4' energy: -124.102 flat angles P-C4'-P energy: -76.789 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: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -741.101254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.101254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.101254 (E_RNA) where: Base-Base interactions energy: -350.596 where: short stacking energy: -226.155 Base-Backbone interact. energy: -1.882 local terms energy: -388.622551 where: bonds (distance) C4'-P energy: -108.533 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -114.986 flat angles P-C4'-P energy: -69.429 tors. eta vs tors. theta energy: 24.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2729.074013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.074013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.074013 (E_RNA) where: Base-Base interactions energy: -1874.512 where: short stacking energy: -858.083 Base-Backbone interact. energy: -0.961 local terms energy: -853.600950 where: bonds (distance) C4'-P energy: -134.551 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -177.500 flat angles P-C4'-P energy: -118.480 tors. eta vs tors. theta energy: -266.995 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: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2640.961655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.961655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.961655 (E_RNA) where: Base-Base interactions energy: -1879.309 where: short stacking energy: -754.043 Base-Backbone interact. energy: -0.153 local terms energy: -761.500085 where: bonds (distance) C4'-P energy: -150.806 bonds (distance) P-C4' energy: -126.398 flat angles C4'-P-C4' energy: -165.133 flat angles P-C4'-P energy: -113.391 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: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2509.758078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.758078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.758078 (E_RNA) where: Base-Base interactions energy: -1738.347 where: short stacking energy: -707.089 Base-Backbone interact. energy: 0.396 local terms energy: -771.807058 where: bonds (distance) C4'-P energy: -138.325 bonds (distance) P-C4' energy: -159.407 flat angles C4'-P-C4' energy: -156.458 flat angles P-C4'-P energy: -130.683 tors. eta vs tors. theta energy: -186.934 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: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2404.339849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.339849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.339849 (E_RNA) where: Base-Base interactions energy: -1640.241 where: short stacking energy: -708.355 Base-Backbone interact. energy: -2.184 local terms energy: -761.915681 where: bonds (distance) C4'-P energy: -147.344 bonds (distance) P-C4' energy: -152.913 flat angles C4'-P-C4' energy: -164.375 flat angles P-C4'-P energy: -98.625 tors. eta vs tors. theta energy: -198.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2118.620591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.620591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.620591 (E_RNA) where: Base-Base interactions energy: -1455.310 where: short stacking energy: -627.958 Base-Backbone interact. energy: -0.531 local terms energy: -662.779230 where: bonds (distance) C4'-P energy: -118.938 bonds (distance) P-C4' energy: -145.039 flat angles C4'-P-C4' energy: -153.722 flat angles P-C4'-P energy: -100.242 tors. eta vs tors. theta energy: -144.838 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: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2052.227949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.227949 (E_RNA) where: Base-Base interactions energy: -1378.968 where: short stacking energy: -572.719 Base-Backbone interact. energy: -0.634 local terms energy: -672.625925 where: bonds (distance) C4'-P energy: -122.892 bonds (distance) P-C4' energy: -149.435 flat angles C4'-P-C4' energy: -147.947 flat angles P-C4'-P energy: -105.954 tors. eta vs tors. theta energy: -146.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1959.106097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.106097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.106097 (E_RNA) where: Base-Base interactions energy: -1302.072 where: short stacking energy: -556.371 Base-Backbone interact. energy: 3.086 local terms energy: -660.120462 where: bonds (distance) C4'-P energy: -125.956 bonds (distance) P-C4' energy: -151.412 flat angles C4'-P-C4' energy: -148.710 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -134.179 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: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1241.539084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.539084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.539084 (E_RNA) where: Base-Base interactions energy: -708.232 where: short stacking energy: -374.979 Base-Backbone interact. energy: -0.844 local terms energy: -532.463753 where: bonds (distance) C4'-P energy: -128.623 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -142.633 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -51.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1174.404024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.404024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.404024 (E_RNA) where: Base-Base interactions energy: -702.032 where: short stacking energy: -344.216 Base-Backbone interact. energy: -2.184 local terms energy: -470.188096 where: bonds (distance) C4'-P energy: -120.798 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -108.064 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -36.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -750.403557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.403557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.403557 (E_RNA) where: Base-Base interactions energy: -340.687 where: short stacking energy: -192.128 Base-Backbone interact. energy: -1.870 local terms energy: -407.847051 where: bonds (distance) C4'-P energy: -111.355 bonds (distance) P-C4' energy: -119.255 flat angles C4'-P-C4' energy: -112.275 flat angles P-C4'-P energy: -73.046 tors. eta vs tors. theta energy: 8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2737.643045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.643045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.643045 (E_RNA) where: Base-Base interactions energy: -1886.311 where: short stacking energy: -847.325 Base-Backbone interact. energy: -0.486 local terms energy: -850.845815 where: bonds (distance) C4'-P energy: -141.482 bonds (distance) P-C4' energy: -153.881 flat angles C4'-P-C4' energy: -178.591 flat angles P-C4'-P energy: -115.147 tors. eta vs tors. theta energy: -261.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2642.113719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.113719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.113719 (E_RNA) where: Base-Base interactions energy: -1828.178 where: short stacking energy: -746.202 Base-Backbone interact. energy: 1.881 local terms energy: -815.816360 where: bonds (distance) C4'-P energy: -136.554 bonds (distance) P-C4' energy: -164.679 flat angles C4'-P-C4' energy: -176.190 flat angles P-C4'-P energy: -123.075 tors. eta vs tors. theta energy: -215.318 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: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2459.039983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.039983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.039983 (E_RNA) where: Base-Base interactions energy: -1706.385 where: short stacking energy: -707.586 Base-Backbone interact. energy: 4.943 local terms energy: -757.598385 where: bonds (distance) C4'-P energy: -148.260 bonds (distance) P-C4' energy: -134.365 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -107.180 tors. eta vs tors. theta energy: -198.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2405.644815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.644815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.644815 (E_RNA) where: Base-Base interactions energy: -1642.142 where: short stacking energy: -708.105 Base-Backbone interact. energy: -0.940 local terms energy: -762.563198 where: bonds (distance) C4'-P energy: -138.815 bonds (distance) P-C4' energy: -146.685 flat angles C4'-P-C4' energy: -168.256 flat angles P-C4'-P energy: -108.198 tors. eta vs tors. theta energy: -200.609 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: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2127.871833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.871833 (E_RNA) where: Base-Base interactions energy: -1461.067 where: short stacking energy: -625.268 Base-Backbone interact. energy: -0.848 local terms energy: -665.956333 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -128.145 flat angles C4'-P-C4' energy: -152.452 flat angles P-C4'-P energy: -97.573 tors. eta vs tors. theta energy: -153.841 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: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2037.515223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.515223 (E_RNA) where: Base-Base interactions energy: -1371.295 where: short stacking energy: -607.375 Base-Backbone interact. energy: 5.963 local terms energy: -672.183003 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -134.549 flat angles P-C4'-P energy: -93.686 tors. eta vs tors. theta energy: -154.600 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: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1972.592408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.592408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.592408 (E_RNA) where: Base-Base interactions energy: -1322.711 where: short stacking energy: -579.702 Base-Backbone interact. energy: -0.451 local terms energy: -649.430084 where: bonds (distance) C4'-P energy: -121.807 bonds (distance) P-C4' energy: -143.322 flat angles C4'-P-C4' energy: -151.560 flat angles P-C4'-P energy: -91.703 tors. eta vs tors. theta energy: -141.038 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: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1244.697116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.697116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.697116 (E_RNA) where: Base-Base interactions energy: -705.750 where: short stacking energy: -352.769 Base-Backbone interact. energy: -0.984 local terms energy: -537.962749 where: bonds (distance) C4'-P energy: -130.234 bonds (distance) P-C4' energy: -149.973 flat angles C4'-P-C4' energy: -132.056 flat angles P-C4'-P energy: -76.997 tors. eta vs tors. theta energy: -48.704 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: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1195.296711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.296711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.296711 (E_RNA) where: Base-Base interactions energy: -712.984 where: short stacking energy: -365.255 Base-Backbone interact. energy: 1.620 local terms energy: -483.932998 where: bonds (distance) C4'-P energy: -108.553 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -114.013 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -64.228 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: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -758.317663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.317663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.317663 (E_RNA) where: Base-Base interactions energy: -369.858 where: short stacking energy: -232.653 Base-Backbone interact. energy: -1.008 local terms energy: -387.451331 where: bonds (distance) C4'-P energy: -116.816 bonds (distance) P-C4' energy: -133.122 flat angles C4'-P-C4' energy: -99.936 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: 22.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2753.000223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.000223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.000223 (E_RNA) where: Base-Base interactions energy: -1858.726 where: short stacking energy: -847.901 Base-Backbone interact. energy: -0.977 local terms energy: -893.296721 where: bonds (distance) C4'-P energy: -150.049 bonds (distance) P-C4' energy: -165.228 flat angles C4'-P-C4' energy: -179.998 flat angles P-C4'-P energy: -130.992 tors. eta vs tors. theta energy: -267.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2641.337741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.337741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.337741 (E_RNA) where: Base-Base interactions energy: -1840.447 where: short stacking energy: -747.915 Base-Backbone interact. energy: 3.107 local terms energy: -803.998086 where: bonds (distance) C4'-P energy: -158.280 bonds (distance) P-C4' energy: -150.366 flat angles C4'-P-C4' energy: -170.049 flat angles P-C4'-P energy: -115.752 tors. eta vs tors. theta energy: -209.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2482.652200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.652200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.652200 (E_RNA) where: Base-Base interactions energy: -1755.755 where: short stacking energy: -710.513 Base-Backbone interact. energy: -1.658 local terms energy: -725.238871 where: bonds (distance) C4'-P energy: -119.093 bonds (distance) P-C4' energy: -143.475 flat angles C4'-P-C4' energy: -156.185 flat angles P-C4'-P energy: -107.446 tors. eta vs tors. theta energy: -199.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2383.524213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.524213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.524213 (E_RNA) where: Base-Base interactions energy: -1655.093 where: short stacking energy: -699.803 Base-Backbone interact. energy: -1.763 local terms energy: -726.667909 where: bonds (distance) C4'-P energy: -147.483 bonds (distance) P-C4' energy: -134.861 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -99.584 tors. eta vs tors. theta energy: -186.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2122.276949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.276949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.276949 (E_RNA) where: Base-Base interactions energy: -1430.261 where: short stacking energy: -637.211 Base-Backbone interact. energy: -2.134 local terms energy: -689.881457 where: bonds (distance) C4'-P energy: -124.082 bonds (distance) P-C4' energy: -146.503 flat angles C4'-P-C4' energy: -153.285 flat angles P-C4'-P energy: -100.508 tors. eta vs tors. theta energy: -165.503 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2021.698599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.698599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.698599 (E_RNA) where: Base-Base interactions energy: -1378.659 where: short stacking energy: -620.891 Base-Backbone interact. energy: 3.839 local terms energy: -646.879106 where: bonds (distance) C4'-P energy: -125.881 bonds (distance) P-C4' energy: -133.735 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -92.422 tors. eta vs tors. theta energy: -156.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1876.546892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.546892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.546892 (E_RNA) where: Base-Base interactions energy: -1244.546 where: short stacking energy: -561.488 Base-Backbone interact. energy: 4.585 local terms energy: -636.585328 where: bonds (distance) C4'-P energy: -129.065 bonds (distance) P-C4' energy: -141.964 flat angles C4'-P-C4' energy: -142.419 flat angles P-C4'-P energy: -86.311 tors. eta vs tors. theta energy: -136.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1242.775389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.775389 (E_RNA) where: Base-Base interactions energy: -753.664 where: short stacking energy: -363.912 Base-Backbone interact. energy: 2.216 local terms energy: -491.327500 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -137.896 flat angles C4'-P-C4' energy: -115.207 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -52.330 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1195.312900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.312900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.312900 (E_RNA) where: Base-Base interactions energy: -717.881 where: short stacking energy: -345.401 Base-Backbone interact. energy: 2.824 local terms energy: -480.256638 where: bonds (distance) C4'-P energy: -113.725 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -143.303 flat angles P-C4'-P energy: -69.310 tors. eta vs tors. theta energy: -41.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -791.670874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.670874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.670874 (E_RNA) where: Base-Base interactions energy: -392.126 where: short stacking energy: -239.956 Base-Backbone interact. energy: 3.243 local terms energy: -402.787399 where: bonds (distance) C4'-P energy: -125.875 bonds (distance) P-C4' energy: -113.201 flat angles C4'-P-C4' energy: -118.037 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: 14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2725.352556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.352556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.352556 (E_RNA) where: Base-Base interactions energy: -1873.027 where: short stacking energy: -844.300 Base-Backbone interact. energy: -2.383 local terms energy: -849.942206 where: bonds (distance) C4'-P energy: -142.108 bonds (distance) P-C4' energy: -138.274 flat angles C4'-P-C4' energy: -184.004 flat angles P-C4'-P energy: -120.167 tors. eta vs tors. theta energy: -265.389 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: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2607.348292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.348292 (E_RNA) where: Base-Base interactions energy: -1854.581 where: short stacking energy: -732.385 Base-Backbone interact. energy: -3.128 local terms energy: -749.639005 where: bonds (distance) C4'-P energy: -123.865 bonds (distance) P-C4' energy: -159.174 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -106.138 tors. eta vs tors. theta energy: -203.577 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: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2461.356608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.356608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.356608 (E_RNA) where: Base-Base interactions energy: -1692.055 where: short stacking energy: -704.900 Base-Backbone interact. energy: -2.790 local terms energy: -766.511826 where: bonds (distance) C4'-P energy: -150.396 bonds (distance) P-C4' energy: -163.159 flat angles C4'-P-C4' energy: -165.504 flat angles P-C4'-P energy: -93.093 tors. eta vs tors. theta energy: -194.360 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2396.244133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.244133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.244133 (E_RNA) where: Base-Base interactions energy: -1649.375 where: short stacking energy: -685.272 Base-Backbone interact. energy: -2.701 local terms energy: -744.168849 where: bonds (distance) C4'-P energy: -145.064 bonds (distance) P-C4' energy: -139.090 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -199.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2126.907682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.907682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.907682 (E_RNA) where: Base-Base interactions energy: -1444.307 where: short stacking energy: -608.139 Base-Backbone interact. energy: -2.229 local terms energy: -680.371727 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -156.108 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -85.120 tors. eta vs tors. theta energy: -151.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2070.697077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.697077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.697077 (E_RNA) where: Base-Base interactions energy: -1373.995 where: short stacking energy: -605.929 Base-Backbone interact. energy: 1.444 local terms energy: -698.145964 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -146.596 flat angles C4'-P-C4' energy: -144.740 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -157.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1916.226108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.226108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.226108 (E_RNA) where: Base-Base interactions energy: -1284.749 where: short stacking energy: -577.594 Base-Backbone interact. energy: -1.688 local terms energy: -629.789288 where: bonds (distance) C4'-P energy: -102.410 bonds (distance) P-C4' energy: -141.755 flat angles C4'-P-C4' energy: -162.048 flat angles P-C4'-P energy: -81.690 tors. eta vs tors. theta energy: -141.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1280.280662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.280662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.280662 (E_RNA) where: Base-Base interactions energy: -789.888 where: short stacking energy: -380.659 Base-Backbone interact. energy: -2.641 local terms energy: -487.752378 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -122.796 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: -50.550 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: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1207.972524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.972524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.972524 (E_RNA) where: Base-Base interactions energy: -708.144 where: short stacking energy: -351.650 Base-Backbone interact. energy: 8.239 local terms energy: -508.068307 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -136.057 flat angles C4'-P-C4' energy: -135.805 flat angles P-C4'-P energy: -61.878 tors. eta vs tors. theta energy: -50.071 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: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -702.056771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.056771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.056771 (E_RNA) where: Base-Base interactions energy: -307.228 where: short stacking energy: -202.085 Base-Backbone interact. energy: 0.386 local terms energy: -395.214275 where: bonds (distance) C4'-P energy: -94.531 bonds (distance) P-C4' energy: -126.881 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: 24.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2706.745115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.745115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.745115 (E_RNA) where: Base-Base interactions energy: -1832.354 where: short stacking energy: -818.652 Base-Backbone interact. energy: -3.164 local terms energy: -871.226801 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -183.684 flat angles P-C4'-P energy: -125.322 tors. eta vs tors. theta energy: -255.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2622.259209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.259209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.259209 (E_RNA) where: Base-Base interactions energy: -1827.303 where: short stacking energy: -736.413 Base-Backbone interact. energy: 3.191 local terms energy: -798.146785 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -157.351 flat angles C4'-P-C4' energy: -162.630 flat angles P-C4'-P energy: -131.365 tors. eta vs tors. theta energy: -194.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2413.410380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.410380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.410380 (E_RNA) where: Base-Base interactions energy: -1655.954 where: short stacking energy: -696.663 Base-Backbone interact. energy: -0.939 local terms energy: -756.518094 where: bonds (distance) C4'-P energy: -145.908 bonds (distance) P-C4' energy: -156.399 flat angles C4'-P-C4' energy: -169.023 flat angles P-C4'-P energy: -106.853 tors. eta vs tors. theta energy: -178.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2363.887588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.887588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.887588 (E_RNA) where: Base-Base interactions energy: -1614.204 where: short stacking energy: -651.034 Base-Backbone interact. energy: -1.542 local terms energy: -748.141321 where: bonds (distance) C4'-P energy: -148.746 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -163.063 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -187.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2138.295435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.295435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.295435 (E_RNA) where: Base-Base interactions energy: -1452.211 where: short stacking energy: -604.408 Base-Backbone interact. energy: -2.585 local terms energy: -683.498876 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -148.102 flat angles P-C4'-P energy: -95.386 tors. eta vs tors. theta energy: -155.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2078.449400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.449400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.449400 (E_RNA) where: Base-Base interactions energy: -1406.460 where: short stacking energy: -609.778 Base-Backbone interact. energy: -4.734 local terms energy: -667.255144 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -136.357 flat angles C4'-P-C4' energy: -152.001 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -157.763 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: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1903.107804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.107804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.107804 (E_RNA) where: Base-Base interactions energy: -1275.707 where: short stacking energy: -537.610 Base-Backbone interact. energy: -1.680 local terms energy: -625.720839 where: bonds (distance) C4'-P energy: -119.872 bonds (distance) P-C4' energy: -129.128 flat angles C4'-P-C4' energy: -147.958 flat angles P-C4'-P energy: -89.429 tors. eta vs tors. theta energy: -139.334 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: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1304.677117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.677117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.677117 (E_RNA) where: Base-Base interactions energy: -765.158 where: short stacking energy: -392.837 Base-Backbone interact. energy: 6.479 local terms energy: -545.998496 where: bonds (distance) C4'-P energy: -120.441 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -149.289 flat angles P-C4'-P energy: -88.605 tors. eta vs tors. theta energy: -77.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1159.186997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.186997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.186997 (E_RNA) where: Base-Base interactions energy: -671.283 where: short stacking energy: -348.393 Base-Backbone interact. energy: 1.024 local terms energy: -488.928327 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -144.785 flat angles C4'-P-C4' energy: -123.536 flat angles P-C4'-P energy: -72.945 tors. eta vs tors. theta energy: -47.841 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: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -700.384599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.384599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.384599 (E_RNA) where: Base-Base interactions energy: -327.773 where: short stacking energy: -209.913 Base-Backbone interact. energy: 5.666 local terms energy: -378.278388 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -46.370 tors. eta vs tors. theta energy: 7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2721.219033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.219033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.219033 (E_RNA) where: Base-Base interactions energy: -1859.292 where: short stacking energy: -840.174 Base-Backbone interact. energy: 1.338 local terms energy: -863.265175 where: bonds (distance) C4'-P energy: -152.239 bonds (distance) P-C4' energy: -149.064 flat angles C4'-P-C4' energy: -174.071 flat angles P-C4'-P energy: -120.444 tors. eta vs tors. theta energy: -267.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2644.216522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.216522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.216522 (E_RNA) where: Base-Base interactions energy: -1849.752 where: short stacking energy: -744.711 Base-Backbone interact. energy: -5.089 local terms energy: -789.375369 where: bonds (distance) C4'-P energy: -148.728 bonds (distance) P-C4' energy: -162.493 flat angles C4'-P-C4' energy: -162.412 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -211.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2433.836185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.836185 (E_RNA) where: Base-Base interactions energy: -1683.583 where: short stacking energy: -716.390 Base-Backbone interact. energy: -1.591 local terms energy: -748.662522 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -150.369 flat angles C4'-P-C4' energy: -152.377 flat angles P-C4'-P energy: -105.660 tors. eta vs tors. theta energy: -211.109 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: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2293.666213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.666213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.666213 (E_RNA) where: Base-Base interactions energy: -1575.864 where: short stacking energy: -660.727 Base-Backbone interact. energy: -3.552 local terms energy: -714.250361 where: bonds (distance) C4'-P energy: -130.535 bonds (distance) P-C4' energy: -135.021 flat angles C4'-P-C4' energy: -162.840 flat angles P-C4'-P energy: -105.622 tors. eta vs tors. theta energy: -180.233 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: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2147.639679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.639679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.639679 (E_RNA) where: Base-Base interactions energy: -1463.035 where: short stacking energy: -640.877 Base-Backbone interact. energy: -2.256 local terms energy: -682.348845 where: bonds (distance) C4'-P energy: -122.552 bonds (distance) P-C4' energy: -149.349 flat angles C4'-P-C4' energy: -154.494 flat angles P-C4'-P energy: -90.806 tors. eta vs tors. theta energy: -165.148 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: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2022.273116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.273116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.273116 (E_RNA) where: Base-Base interactions energy: -1358.645 where: short stacking energy: -592.434 Base-Backbone interact. energy: -2.733 local terms energy: -660.895590 where: bonds (distance) C4'-P energy: -132.924 bonds (distance) P-C4' energy: -133.789 flat angles C4'-P-C4' energy: -132.055 flat angles P-C4'-P energy: -93.688 tors. eta vs tors. theta energy: -168.439 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: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1858.200615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.200615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.200615 (E_RNA) where: Base-Base interactions energy: -1258.194 where: short stacking energy: -532.130 Base-Backbone interact. energy: -0.540 local terms energy: -599.466569 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -113.706 flat angles C4'-P-C4' energy: -149.883 flat angles P-C4'-P energy: -107.279 tors. eta vs tors. theta energy: -123.156 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: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1322.025914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.025914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.025914 (E_RNA) where: Base-Base interactions energy: -843.286 where: short stacking energy: -400.013 Base-Backbone interact. energy: -2.508 local terms energy: -476.231155 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -123.388 flat angles C4'-P-C4' energy: -122.332 flat angles P-C4'-P energy: -60.952 tors. eta vs tors. theta energy: -53.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1135.866666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.866666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.866666 (E_RNA) where: Base-Base interactions energy: -665.200 where: short stacking energy: -307.847 Base-Backbone interact. energy: -0.834 local terms energy: -469.833210 where: bonds (distance) C4'-P energy: -132.898 bonds (distance) P-C4' energy: -111.829 flat angles C4'-P-C4' energy: -122.430 flat angles P-C4'-P energy: -67.474 tors. eta vs tors. theta energy: -35.202 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: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -694.329543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.329543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.329543 (E_RNA) where: Base-Base interactions energy: -287.799 where: short stacking energy: -178.452 Base-Backbone interact. energy: 1.344 local terms energy: -407.874935 where: bonds (distance) C4'-P energy: -107.531 bonds (distance) P-C4' energy: -114.139 flat angles C4'-P-C4' energy: -126.200 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: 14.931 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: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2731.097841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.097841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.097841 (E_RNA) where: Base-Base interactions energy: -1855.431 where: short stacking energy: -867.677 Base-Backbone interact. energy: -2.646 local terms energy: -873.020468 where: bonds (distance) C4'-P energy: -145.123 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -186.330 flat angles P-C4'-P energy: -124.080 tors. eta vs tors. theta energy: -268.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2650.088980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.088980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.088980 (E_RNA) where: Base-Base interactions energy: -1858.520 where: short stacking energy: -764.515 Base-Backbone interact. energy: -3.492 local terms energy: -788.076802 where: bonds (distance) C4'-P energy: -159.072 bonds (distance) P-C4' energy: -143.510 flat angles C4'-P-C4' energy: -153.951 flat angles P-C4'-P energy: -118.576 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: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2480.930594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.930594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.930594 (E_RNA) where: Base-Base interactions energy: -1718.948 where: short stacking energy: -734.102 Base-Backbone interact. energy: 0.758 local terms energy: -762.740685 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -173.491 flat angles P-C4'-P energy: -112.191 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: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2314.086829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.086829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.086829 (E_RNA) where: Base-Base interactions energy: -1575.000 where: short stacking energy: -663.429 Base-Backbone interact. energy: 3.691 local terms energy: -742.777483 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -153.299 flat angles C4'-P-C4' energy: -164.835 flat angles P-C4'-P energy: -115.560 tors. eta vs tors. theta energy: -172.376 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2171.301325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.301325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.301325 (E_RNA) where: Base-Base interactions energy: -1460.883 where: short stacking energy: -646.643 Base-Backbone interact. energy: -3.337 local terms energy: -707.081142 where: bonds (distance) C4'-P energy: -143.858 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -94.292 tors. eta vs tors. theta energy: -171.055 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: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2048.712921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.712921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.712921 (E_RNA) where: Base-Base interactions energy: -1372.716 where: short stacking energy: -574.195 Base-Backbone interact. energy: -4.901 local terms energy: -671.095817 where: bonds (distance) C4'-P energy: -122.438 bonds (distance) P-C4' energy: -143.149 flat angles C4'-P-C4' energy: -159.032 flat angles P-C4'-P energy: -102.129 tors. eta vs tors. theta energy: -144.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1891.600820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.600820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.600820 (E_RNA) where: Base-Base interactions energy: -1246.350 where: short stacking energy: -531.723 Base-Backbone interact. energy: -4.045 local terms energy: -641.205316 where: bonds (distance) C4'-P energy: -130.002 bonds (distance) P-C4' energy: -156.658 flat angles C4'-P-C4' energy: -140.533 flat angles P-C4'-P energy: -82.773 tors. eta vs tors. theta energy: -131.240 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: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1335.161349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.161349 (E_RNA) where: Base-Base interactions energy: -819.709 where: short stacking energy: -410.476 Base-Backbone interact. energy: -1.590 local terms energy: -513.862236 where: bonds (distance) C4'-P energy: -114.654 bonds (distance) P-C4' energy: -111.742 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -76.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1079.750246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.750246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.750246 (E_RNA) where: Base-Base interactions energy: -604.742 where: short stacking energy: -302.311 Base-Backbone interact. energy: 1.952 local terms energy: -476.959972 where: bonds (distance) C4'-P energy: -134.697 bonds (distance) P-C4' energy: -122.621 flat angles C4'-P-C4' energy: -114.074 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -37.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -701.928752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.928752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.928752 (E_RNA) where: Base-Base interactions energy: -341.562 where: short stacking energy: -226.062 Base-Backbone interact. energy: 1.405 local terms energy: -361.771346 where: bonds (distance) C4'-P energy: -111.174 bonds (distance) P-C4' energy: -111.204 flat angles C4'-P-C4' energy: -114.729 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: 25.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2742.416821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.416821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.416821 (E_RNA) where: Base-Base interactions energy: -1857.776 where: short stacking energy: -856.570 Base-Backbone interact. energy: -3.110 local terms energy: -881.531653 where: bonds (distance) C4'-P energy: -153.837 bonds (distance) P-C4' energy: -163.646 flat angles C4'-P-C4' energy: -174.348 flat angles P-C4'-P energy: -120.869 tors. eta vs tors. theta energy: -268.832 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: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2667.566222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.566222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.566222 (E_RNA) where: Base-Base interactions energy: -1883.401 where: short stacking energy: -773.016 Base-Backbone interact. energy: -3.792 local terms energy: -780.373772 where: bonds (distance) C4'-P energy: -143.302 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -170.748 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -217.489 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: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2512.129904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.129904 (E_RNA) where: Base-Base interactions energy: -1734.942 where: short stacking energy: -732.395 Base-Backbone interact. energy: 1.314 local terms energy: -778.502012 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -135.841 flat angles C4'-P-C4' energy: -174.759 flat angles P-C4'-P energy: -107.298 tors. eta vs tors. theta energy: -217.220 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: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2333.890073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.890073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.890073 (E_RNA) where: Base-Base interactions energy: -1616.056 where: short stacking energy: -688.229 Base-Backbone interact. energy: -1.517 local terms energy: -716.317291 where: bonds (distance) C4'-P energy: -139.388 bonds (distance) P-C4' energy: -137.649 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -86.223 tors. eta vs tors. theta energy: -192.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2116.008711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.008711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.008711 (E_RNA) where: Base-Base interactions energy: -1426.674 where: short stacking energy: -635.657 Base-Backbone interact. energy: 2.821 local terms energy: -692.155793 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -135.648 flat angles C4'-P-C4' energy: -150.936 flat angles P-C4'-P energy: -94.313 tors. eta vs tors. theta energy: -169.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2045.099635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.099635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.099635 (E_RNA) where: Base-Base interactions energy: -1395.566 where: short stacking energy: -614.864 Base-Backbone interact. energy: -3.977 local terms energy: -645.556148 where: bonds (distance) C4'-P energy: -126.786 bonds (distance) P-C4' energy: -150.842 flat angles C4'-P-C4' energy: -135.659 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -151.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1814.177783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.177783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.177783 (E_RNA) where: Base-Base interactions energy: -1204.956 where: short stacking energy: -512.180 Base-Backbone interact. energy: -3.136 local terms energy: -606.086282 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -112.025 flat angles C4'-P-C4' energy: -143.863 flat angles P-C4'-P energy: -100.717 tors. eta vs tors. theta energy: -125.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1409.905856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.905856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.905856 (E_RNA) where: Base-Base interactions energy: -876.675 where: short stacking energy: -442.811 Base-Backbone interact. energy: 4.644 local terms energy: -537.874844 where: bonds (distance) C4'-P energy: -111.421 bonds (distance) P-C4' energy: -127.365 flat angles C4'-P-C4' energy: -134.044 flat angles P-C4'-P energy: -90.673 tors. eta vs tors. theta energy: -74.372 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: 356 Temperature: 1.300000 Total energy: -1146.954175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.954175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.954175 (E_RNA) where: Base-Base interactions energy: -688.176 where: short stacking energy: -316.516 Base-Backbone interact. energy: -2.379 local terms energy: -456.399399 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -143.402 flat angles C4'-P-C4' energy: -87.176 flat angles P-C4'-P energy: -81.768 tors. eta vs tors. theta energy: -21.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -712.867191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.867191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.867191 (E_RNA) where: Base-Base interactions energy: -353.903 where: short stacking energy: -227.096 Base-Backbone interact. energy: 8.708 local terms energy: -367.672160 where: bonds (distance) C4'-P energy: -120.725 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -101.597 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: 20.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2731.989114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.989114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.989114 (E_RNA) where: Base-Base interactions energy: -1881.716 where: short stacking energy: -844.715 Base-Backbone interact. energy: -3.099 local terms energy: -847.174818 where: bonds (distance) C4'-P energy: -141.674 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -177.553 flat angles P-C4'-P energy: -119.462 tors. eta vs tors. theta energy: -255.397 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2654.381787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.381787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.381787 (E_RNA) where: Base-Base interactions energy: -1865.327 where: short stacking energy: -761.702 Base-Backbone interact. energy: -10.488 local terms energy: -778.567683 where: bonds (distance) C4'-P energy: -134.022 bonds (distance) P-C4' energy: -148.004 flat angles C4'-P-C4' energy: -183.937 flat angles P-C4'-P energy: -98.248 tors. eta vs tors. theta energy: -214.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2509.905841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.905841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.905841 (E_RNA) where: Base-Base interactions energy: -1736.466 where: short stacking energy: -757.585 Base-Backbone interact. energy: -0.246 local terms energy: -773.193404 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -145.332 flat angles C4'-P-C4' energy: -159.991 flat angles P-C4'-P energy: -125.524 tors. eta vs tors. theta energy: -213.694 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: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2340.924114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.924114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.924114 (E_RNA) where: Base-Base interactions energy: -1585.818 where: short stacking energy: -682.841 Base-Backbone interact. energy: -1.225 local terms energy: -753.881436 where: bonds (distance) C4'-P energy: -161.227 bonds (distance) P-C4' energy: -144.769 flat angles C4'-P-C4' energy: -166.258 flat angles P-C4'-P energy: -101.625 tors. eta vs tors. theta energy: -180.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2113.821918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.821918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.821918 (E_RNA) where: Base-Base interactions energy: -1447.556 where: short stacking energy: -637.486 Base-Backbone interact. energy: -1.495 local terms energy: -664.770521 where: bonds (distance) C4'-P energy: -130.198 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -145.168 flat angles P-C4'-P energy: -100.129 tors. eta vs tors. theta energy: -159.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2028.405159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.405159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.405159 (E_RNA) where: Base-Base interactions energy: -1359.304 where: short stacking energy: -606.012 Base-Backbone interact. energy: 1.730 local terms energy: -670.830969 where: bonds (distance) C4'-P energy: -132.198 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -139.927 flat angles P-C4'-P energy: -95.231 tors. eta vs tors. theta energy: -162.826 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: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1803.008993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.008993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.008993 (E_RNA) where: Base-Base interactions energy: -1191.673 where: short stacking energy: -546.841 Base-Backbone interact. energy: -2.843 local terms energy: -608.493009 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -142.045 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -133.504 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: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1398.966244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.966244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.966244 (E_RNA) where: Base-Base interactions energy: -885.192 where: short stacking energy: -402.944 Base-Backbone interact. energy: 5.205 local terms energy: -518.978573 where: bonds (distance) C4'-P energy: -125.117 bonds (distance) P-C4' energy: -129.600 flat angles C4'-P-C4' energy: -137.406 flat angles P-C4'-P energy: -68.026 tors. eta vs tors. theta energy: -58.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1059.518218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.518218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.518218 (E_RNA) where: Base-Base interactions energy: -569.307 where: short stacking energy: -290.037 Base-Backbone interact. energy: -3.099 local terms energy: -487.112485 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -127.902 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: -22.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -686.351234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.351234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.351234 (E_RNA) where: Base-Base interactions energy: -290.012 where: short stacking energy: -189.830 Base-Backbone interact. energy: -0.523 local terms energy: -395.816146 where: bonds (distance) C4'-P energy: -115.415 bonds (distance) P-C4' energy: -133.322 flat angles C4'-P-C4' energy: -103.533 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: 20.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2685.547049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.547049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.547049 (E_RNA) where: Base-Base interactions energy: -1827.428 where: short stacking energy: -841.566 Base-Backbone interact. energy: -1.813 local terms energy: -856.306421 where: bonds (distance) C4'-P energy: -142.932 bonds (distance) P-C4' energy: -158.559 flat angles C4'-P-C4' energy: -181.131 flat angles P-C4'-P energy: -121.914 tors. eta vs tors. theta energy: -251.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2640.155509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.155509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.155509 (E_RNA) where: Base-Base interactions energy: -1876.283 where: short stacking energy: -753.198 Base-Backbone interact. energy: 1.089 local terms energy: -764.962038 where: bonds (distance) C4'-P energy: -131.775 bonds (distance) P-C4' energy: -149.150 flat angles C4'-P-C4' energy: -169.429 flat angles P-C4'-P energy: -100.246 tors. eta vs tors. theta energy: -214.362 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: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2447.584716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.584716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.584716 (E_RNA) where: Base-Base interactions energy: -1653.089 where: short stacking energy: -732.796 Base-Backbone interact. energy: 2.430 local terms energy: -796.925422 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -154.191 flat angles C4'-P-C4' energy: -177.801 flat angles P-C4'-P energy: -117.123 tors. eta vs tors. theta energy: -217.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2336.148903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.148903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.148903 (E_RNA) where: Base-Base interactions energy: -1616.208 where: short stacking energy: -653.183 Base-Backbone interact. energy: 1.965 local terms energy: -721.906477 where: bonds (distance) C4'-P energy: -139.296 bonds (distance) P-C4' energy: -149.442 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -92.305 tors. eta vs tors. theta energy: -173.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2147.495379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.495379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.495379 (E_RNA) where: Base-Base interactions energy: -1441.045 where: short stacking energy: -644.351 Base-Backbone interact. energy: -0.171 local terms energy: -706.279133 where: bonds (distance) C4'-P energy: -140.684 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -157.042 flat angles P-C4'-P energy: -95.359 tors. eta vs tors. theta energy: -178.184 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: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2033.986789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.986789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.986789 (E_RNA) where: Base-Base interactions energy: -1377.127 where: short stacking energy: -624.400 Base-Backbone interact. energy: -2.581 local terms energy: -654.278583 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -126.770 flat angles C4'-P-C4' energy: -152.141 flat angles P-C4'-P energy: -91.611 tors. eta vs tors. theta energy: -164.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1785.941767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.941767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.941767 (E_RNA) where: Base-Base interactions energy: -1173.020 where: short stacking energy: -501.933 Base-Backbone interact. energy: -1.456 local terms energy: -611.465977 where: bonds (distance) C4'-P energy: -121.203 bonds (distance) P-C4' energy: -133.038 flat angles C4'-P-C4' energy: -143.554 flat angles P-C4'-P energy: -95.246 tors. eta vs tors. theta energy: -118.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1392.631406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.631406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.631406 (E_RNA) where: Base-Base interactions energy: -891.231 where: short stacking energy: -433.500 Base-Backbone interact. energy: 8.869 local terms energy: -510.268996 where: bonds (distance) C4'-P energy: -90.417 bonds (distance) P-C4' energy: -137.447 flat angles C4'-P-C4' energy: -136.175 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -88.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1029.850104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.850104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.850104 (E_RNA) where: Base-Base interactions energy: -572.080 where: short stacking energy: -268.941 Base-Backbone interact. energy: 4.429 local terms energy: -462.199349 where: bonds (distance) C4'-P energy: -115.496 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -66.322 tors. eta vs tors. theta energy: -8.963 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: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -752.173109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.173109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.173109 (E_RNA) where: Base-Base interactions energy: -396.189 where: short stacking energy: -218.800 Base-Backbone interact. energy: 1.666 local terms energy: -357.650364 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -78.131 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: 25.506 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: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2748.141936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.141936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.141936 (E_RNA) where: Base-Base interactions energy: -1863.487 where: short stacking energy: -854.838 Base-Backbone interact. energy: -3.175 local terms energy: -881.479727 where: bonds (distance) C4'-P energy: -164.178 bonds (distance) P-C4' energy: -150.253 flat angles C4'-P-C4' energy: -179.686 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -265.604 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: 359 Temperature: 0.950000 Total energy: -2635.307568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.307568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.307568 (E_RNA) where: Base-Base interactions energy: -1833.335 where: short stacking energy: -723.706 Base-Backbone interact. energy: -2.814 local terms energy: -799.158453 where: bonds (distance) C4'-P energy: -150.575 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -173.043 flat angles P-C4'-P energy: -124.607 tors. eta vs tors. theta energy: -201.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2473.757025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.757025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.757025 (E_RNA) where: Base-Base interactions energy: -1689.029 where: short stacking energy: -723.995 Base-Backbone interact. energy: -4.641 local terms energy: -780.086506 where: bonds (distance) C4'-P energy: -140.813 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -159.004 flat angles P-C4'-P energy: -123.170 tors. eta vs tors. theta energy: -207.659 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: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2322.794831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.794831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.794831 (E_RNA) where: Base-Base interactions energy: -1606.817 where: short stacking energy: -677.203 Base-Backbone interact. energy: -0.709 local terms energy: -715.268639 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -140.441 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -92.499 tors. eta vs tors. theta energy: -187.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2157.418756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.418756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.418756 (E_RNA) where: Base-Base interactions energy: -1445.329 where: short stacking energy: -659.860 Base-Backbone interact. energy: -1.706 local terms energy: -710.384705 where: bonds (distance) C4'-P energy: -139.910 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -139.770 flat angles P-C4'-P energy: -112.551 tors. eta vs tors. theta energy: -184.147 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2052.321930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.321930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.321930 (E_RNA) where: Base-Base interactions energy: -1398.159 where: short stacking energy: -600.415 Base-Backbone interact. energy: -3.211 local terms energy: -650.952458 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -130.746 flat angles C4'-P-C4' energy: -146.154 flat angles P-C4'-P energy: -96.003 tors. eta vs tors. theta energy: -161.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1840.625112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.625112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.625112 (E_RNA) where: Base-Base interactions energy: -1246.104 where: short stacking energy: -516.705 Base-Backbone interact. energy: -2.131 local terms energy: -592.391000 where: bonds (distance) C4'-P energy: -114.698 bonds (distance) P-C4' energy: -135.859 flat angles C4'-P-C4' energy: -140.484 flat angles P-C4'-P energy: -84.090 tors. eta vs tors. theta energy: -117.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1412.945637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.945637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.945637 (E_RNA) where: Base-Base interactions energy: -892.470 where: short stacking energy: -436.900 Base-Backbone interact. energy: 9.198 local terms energy: -529.673274 where: bonds (distance) C4'-P energy: -110.115 bonds (distance) P-C4' energy: -136.564 flat angles C4'-P-C4' energy: -136.324 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -80.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1070.723257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.723257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.723257 (E_RNA) where: Base-Base interactions energy: -639.468 where: short stacking energy: -315.208 Base-Backbone interact. energy: -2.839 local terms energy: -428.416345 where: bonds (distance) C4'-P energy: -119.698 bonds (distance) P-C4' energy: -103.679 flat angles C4'-P-C4' energy: -113.719 flat angles P-C4'-P energy: -57.952 tors. eta vs tors. theta energy: -33.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -843.765506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.765506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.765506 (E_RNA) where: Base-Base interactions energy: -418.564 where: short stacking energy: -224.451 Base-Backbone interact. energy: -1.857 local terms energy: -423.344393 where: bonds (distance) C4'-P energy: -117.405 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2731.251138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.251138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.251138 (E_RNA) where: Base-Base interactions energy: -1867.355 where: short stacking energy: -840.579 Base-Backbone interact. energy: -2.517 local terms energy: -861.379346 where: bonds (distance) C4'-P energy: -155.415 bonds (distance) P-C4' energy: -148.013 flat angles C4'-P-C4' energy: -175.761 flat angles P-C4'-P energy: -118.633 tors. eta vs tors. theta energy: -263.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2602.549135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.549135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.549135 (E_RNA) where: Base-Base interactions energy: -1833.595 where: short stacking energy: -731.700 Base-Backbone interact. energy: -4.899 local terms energy: -764.054441 where: bonds (distance) C4'-P energy: -138.376 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -166.340 flat angles P-C4'-P energy: -118.170 tors. eta vs tors. theta energy: -192.928 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2468.673384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.673384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.673384 (E_RNA) where: Base-Base interactions energy: -1663.333 where: short stacking energy: -704.781 Base-Backbone interact. energy: -4.145 local terms energy: -801.195535 where: bonds (distance) C4'-P energy: -150.619 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -168.921 flat angles P-C4'-P energy: -114.936 tors. eta vs tors. theta energy: -219.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2307.319742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.319742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.319742 (E_RNA) where: Base-Base interactions energy: -1579.525 where: short stacking energy: -648.053 Base-Backbone interact. energy: 1.320 local terms energy: -729.114831 where: bonds (distance) C4'-P energy: -158.320 bonds (distance) P-C4' energy: -141.975 flat angles C4'-P-C4' energy: -153.275 flat angles P-C4'-P energy: -105.977 tors. eta vs tors. theta energy: -169.569 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: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2134.392416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.392416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.392416 (E_RNA) where: Base-Base interactions energy: -1473.351 where: short stacking energy: -623.010 Base-Backbone interact. energy: 3.656 local terms energy: -664.697427 where: bonds (distance) C4'-P energy: -124.169 bonds (distance) P-C4' energy: -137.396 flat angles C4'-P-C4' energy: -148.732 flat angles P-C4'-P energy: -94.651 tors. eta vs tors. theta energy: -159.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2045.656596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.656596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.656596 (E_RNA) where: Base-Base interactions energy: -1357.378 where: short stacking energy: -585.737 Base-Backbone interact. energy: -6.653 local terms energy: -681.625603 where: bonds (distance) C4'-P energy: -145.976 bonds (distance) P-C4' energy: -135.477 flat angles C4'-P-C4' energy: -154.832 flat angles P-C4'-P energy: -98.733 tors. eta vs tors. theta energy: -146.607 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: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1796.049958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.049958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.049958 (E_RNA) where: Base-Base interactions energy: -1215.999 where: short stacking energy: -514.710 Base-Backbone interact. energy: -3.096 local terms energy: -576.954354 where: bonds (distance) C4'-P energy: -112.447 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -82.092 tors. eta vs tors. theta energy: -133.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1357.970802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.970802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.970802 (E_RNA) where: Base-Base interactions energy: -853.052 where: short stacking energy: -405.897 Base-Backbone interact. energy: -0.194 local terms energy: -504.724667 where: bonds (distance) C4'-P energy: -115.298 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -133.344 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -64.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1065.645153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.645153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.645153 (E_RNA) where: Base-Base interactions energy: -637.421 where: short stacking energy: -319.119 Base-Backbone interact. energy: 1.147 local terms energy: -429.371736 where: bonds (distance) C4'-P energy: -108.452 bonds (distance) P-C4' energy: -107.640 flat angles C4'-P-C4' energy: -98.362 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -29.700 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: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -789.527698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.527698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.527698 (E_RNA) where: Base-Base interactions energy: -385.531 where: short stacking energy: -210.350 Base-Backbone interact. energy: 0.814 local terms energy: -404.809982 where: bonds (distance) C4'-P energy: -117.524 bonds (distance) P-C4' energy: -126.963 flat angles C4'-P-C4' energy: -118.366 flat angles P-C4'-P energy: -59.336 tors. eta vs tors. theta energy: 17.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2729.572266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.572266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.572266 (E_RNA) where: Base-Base interactions energy: -1856.760 where: short stacking energy: -847.140 Base-Backbone interact. energy: -4.130 local terms energy: -868.681651 where: bonds (distance) C4'-P energy: -145.055 bonds (distance) P-C4' energy: -160.199 flat angles C4'-P-C4' energy: -178.731 flat angles P-C4'-P energy: -120.953 tors. eta vs tors. theta energy: -263.743 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: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2615.840037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.840037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.840037 (E_RNA) where: Base-Base interactions energy: -1835.906 where: short stacking energy: -747.871 Base-Backbone interact. energy: -2.691 local terms energy: -777.243301 where: bonds (distance) C4'-P energy: -139.675 bonds (distance) P-C4' energy: -151.334 flat angles C4'-P-C4' energy: -161.166 flat angles P-C4'-P energy: -121.922 tors. eta vs tors. theta energy: -203.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2475.865978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.865978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.865978 (E_RNA) where: Base-Base interactions energy: -1724.873 where: short stacking energy: -751.623 Base-Backbone interact. energy: 0.394 local terms energy: -751.386373 where: bonds (distance) C4'-P energy: -136.936 bonds (distance) P-C4' energy: -134.789 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -109.461 tors. eta vs tors. theta energy: -206.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2339.686345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.686345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.686345 (E_RNA) where: Base-Base interactions energy: -1606.920 where: short stacking energy: -672.108 Base-Backbone interact. energy: -6.509 local terms energy: -726.256858 where: bonds (distance) C4'-P energy: -126.813 bonds (distance) P-C4' energy: -160.608 flat angles C4'-P-C4' energy: -156.119 flat angles P-C4'-P energy: -102.951 tors. eta vs tors. theta energy: -179.766 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: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2176.676331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.676331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.676331 (E_RNA) where: Base-Base interactions energy: -1462.947 where: short stacking energy: -635.473 Base-Backbone interact. energy: -2.774 local terms energy: -710.954805 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -167.781 flat angles P-C4'-P energy: -100.864 tors. eta vs tors. theta energy: -166.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2010.494516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.494516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.494516 (E_RNA) where: Base-Base interactions energy: -1343.017 where: short stacking energy: -584.975 Base-Backbone interact. energy: -2.494 local terms energy: -664.984042 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -159.136 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -153.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1842.314616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.314616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.314616 (E_RNA) where: Base-Base interactions energy: -1234.153 where: short stacking energy: -534.253 Base-Backbone interact. energy: 1.345 local terms energy: -609.506418 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -141.419 flat angles C4'-P-C4' energy: -133.149 flat angles P-C4'-P energy: -90.668 tors. eta vs tors. theta energy: -116.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1383.141202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.141202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.141202 (E_RNA) where: Base-Base interactions energy: -861.388 where: short stacking energy: -402.714 Base-Backbone interact. energy: 0.822 local terms energy: -522.575398 where: bonds (distance) C4'-P energy: -115.004 bonds (distance) P-C4' energy: -132.929 flat angles C4'-P-C4' energy: -133.802 flat angles P-C4'-P energy: -82.267 tors. eta vs tors. theta energy: -58.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1148.241101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.241101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.241101 (E_RNA) where: Base-Base interactions energy: -661.845 where: short stacking energy: -348.658 Base-Backbone interact. energy: 2.043 local terms energy: -488.438988 where: bonds (distance) C4'-P energy: -128.119 bonds (distance) P-C4' energy: -116.060 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -49.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -818.938566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.938566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.938566 (E_RNA) where: Base-Base interactions energy: -414.139 where: short stacking energy: -224.081 Base-Backbone interact. energy: 0.149 local terms energy: -404.948928 where: bonds (distance) C4'-P energy: -124.643 bonds (distance) P-C4' energy: -132.372 flat angles C4'-P-C4' energy: -98.061 flat angles P-C4'-P energy: -58.815 tors. eta vs tors. theta energy: 8.942 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: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2724.373937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.373937 (E_RNA) where: Base-Base interactions energy: -1870.229 where: short stacking energy: -835.885 Base-Backbone interact. energy: -2.317 local terms energy: -851.828395 where: bonds (distance) C4'-P energy: -153.451 bonds (distance) P-C4' energy: -135.452 flat angles C4'-P-C4' energy: -184.452 flat angles P-C4'-P energy: -116.281 tors. eta vs tors. theta energy: -262.192 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2603.663265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.663265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.663265 (E_RNA) where: Base-Base interactions energy: -1785.569 where: short stacking energy: -740.616 Base-Backbone interact. energy: -4.058 local terms energy: -814.036480 where: bonds (distance) C4'-P energy: -146.378 bonds (distance) P-C4' energy: -152.376 flat angles C4'-P-C4' energy: -174.982 flat angles P-C4'-P energy: -122.925 tors. eta vs tors. theta energy: -217.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2467.200477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.200477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.200477 (E_RNA) where: Base-Base interactions energy: -1664.084 where: short stacking energy: -736.203 Base-Backbone interact. energy: -1.333 local terms energy: -801.782742 where: bonds (distance) C4'-P energy: -148.223 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -171.442 flat angles P-C4'-P energy: -113.738 tors. eta vs tors. theta energy: -217.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2320.934700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.934700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.934700 (E_RNA) where: Base-Base interactions energy: -1594.402 where: short stacking energy: -667.139 Base-Backbone interact. energy: -1.883 local terms energy: -724.649499 where: bonds (distance) C4'-P energy: -151.235 bonds (distance) P-C4' energy: -147.742 flat angles C4'-P-C4' energy: -153.619 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -168.363 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: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2117.828207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.828207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.828207 (E_RNA) where: Base-Base interactions energy: -1434.476 where: short stacking energy: -636.457 Base-Backbone interact. energy: -4.112 local terms energy: -679.239452 where: bonds (distance) C4'-P energy: -137.230 bonds (distance) P-C4' energy: -134.729 flat angles C4'-P-C4' energy: -141.391 flat angles P-C4'-P energy: -107.956 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: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2120.385229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.385229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.385229 (E_RNA) where: Base-Base interactions energy: -1440.642 where: short stacking energy: -607.102 Base-Backbone interact. energy: -4.949 local terms energy: -674.794458 where: bonds (distance) C4'-P energy: -130.818 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -145.358 flat angles P-C4'-P energy: -103.664 tors. eta vs tors. theta energy: -157.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1871.649502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.649502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.649502 (E_RNA) where: Base-Base interactions energy: -1230.321 where: short stacking energy: -567.466 Base-Backbone interact. energy: -3.059 local terms energy: -638.269572 where: bonds (distance) C4'-P energy: -128.122 bonds (distance) P-C4' energy: -136.250 flat angles C4'-P-C4' energy: -148.817 flat angles P-C4'-P energy: -87.621 tors. eta vs tors. theta energy: -137.459 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1389.989566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.989566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.989566 (E_RNA) where: Base-Base interactions energy: -856.224 where: short stacking energy: -380.190 Base-Backbone interact. energy: -4.942 local terms energy: -528.823860 where: bonds (distance) C4'-P energy: -112.014 bonds (distance) P-C4' energy: -137.202 flat angles C4'-P-C4' energy: -138.900 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -59.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1158.139122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.139122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.139122 (E_RNA) where: Base-Base interactions energy: -717.171 where: short stacking energy: -339.263 Base-Backbone interact. energy: 0.892 local terms energy: -441.860295 where: bonds (distance) C4'-P energy: -102.350 bonds (distance) P-C4' energy: -108.655 flat angles C4'-P-C4' energy: -109.295 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -42.570 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: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -781.569525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.569525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.569525 (E_RNA) where: Base-Base interactions energy: -389.496 where: short stacking energy: -251.449 Base-Backbone interact. energy: -0.132 local terms energy: -391.941929 where: bonds (distance) C4'-P energy: -119.381 bonds (distance) P-C4' energy: -140.057 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: 5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2723.385203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.385203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.385203 (E_RNA) where: Base-Base interactions energy: -1849.899 where: short stacking energy: -853.226 Base-Backbone interact. energy: -3.206 local terms energy: -870.280406 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -156.842 flat angles C4'-P-C4' energy: -172.710 flat angles P-C4'-P energy: -119.598 tors. eta vs tors. theta energy: -267.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2621.670228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.670228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.670228 (E_RNA) where: Base-Base interactions energy: -1817.983 where: short stacking energy: -758.155 Base-Backbone interact. energy: -4.596 local terms energy: -799.091295 where: bonds (distance) C4'-P energy: -151.213 bonds (distance) P-C4' energy: -161.383 flat angles C4'-P-C4' energy: -157.163 flat angles P-C4'-P energy: -115.601 tors. eta vs tors. theta energy: -213.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2447.947891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.947891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.947891 (E_RNA) where: Base-Base interactions energy: -1682.676 where: short stacking energy: -724.072 Base-Backbone interact. energy: -2.175 local terms energy: -763.096890 where: bonds (distance) C4'-P energy: -151.579 bonds (distance) P-C4' energy: -130.308 flat angles C4'-P-C4' energy: -160.580 flat angles P-C4'-P energy: -115.421 tors. eta vs tors. theta energy: -205.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2340.662937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.662937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.662937 (E_RNA) where: Base-Base interactions energy: -1628.161 where: short stacking energy: -669.217 Base-Backbone interact. energy: -2.824 local terms energy: -709.677962 where: bonds (distance) C4'-P energy: -127.350 bonds (distance) P-C4' energy: -135.332 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -172.835 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: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2137.540266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.540266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.540266 (E_RNA) where: Base-Base interactions energy: -1428.375 where: short stacking energy: -629.331 Base-Backbone interact. energy: -3.266 local terms energy: -705.899094 where: bonds (distance) C4'-P energy: -133.389 bonds (distance) P-C4' energy: -133.233 flat angles C4'-P-C4' energy: -160.199 flat angles P-C4'-P energy: -105.859 tors. eta vs tors. theta energy: -173.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2126.263001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.263001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.263001 (E_RNA) where: Base-Base interactions energy: -1423.324 where: short stacking energy: -620.537 Base-Backbone interact. energy: -3.013 local terms energy: -699.925951 where: bonds (distance) C4'-P energy: -125.220 bonds (distance) P-C4' energy: -139.122 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -109.096 tors. eta vs tors. theta energy: -165.622 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: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1914.722710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.722710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.722710 (E_RNA) where: Base-Base interactions energy: -1280.972 where: short stacking energy: -559.980 Base-Backbone interact. energy: -1.507 local terms energy: -632.243840 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -127.295 flat angles C4'-P-C4' energy: -133.132 flat angles P-C4'-P energy: -94.300 tors. eta vs tors. theta energy: -141.131 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: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1423.814540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.814540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.814540 (E_RNA) where: Base-Base interactions energy: -865.121 where: short stacking energy: -419.298 Base-Backbone interact. energy: -2.271 local terms energy: -556.421873 where: bonds (distance) C4'-P energy: -132.603 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -137.785 flat angles P-C4'-P energy: -75.497 tors. eta vs tors. theta energy: -88.570 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: 363 Temperature: 1.300000 Total energy: -1162.376584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.376584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.376584 (E_RNA) where: Base-Base interactions energy: -684.608 where: short stacking energy: -308.895 Base-Backbone interact. energy: -4.639 local terms energy: -473.129661 where: bonds (distance) C4'-P energy: -122.913 bonds (distance) P-C4' energy: -126.570 flat angles C4'-P-C4' energy: -129.431 flat angles P-C4'-P energy: -71.296 tors. eta vs tors. theta energy: -22.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -754.564133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.564133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.564133 (E_RNA) where: Base-Base interactions energy: -351.348 where: short stacking energy: -194.934 Base-Backbone interact. energy: -2.794 local terms energy: -400.422744 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -126.183 flat angles C4'-P-C4' energy: -105.704 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: 10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2706.345586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.345586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.345586 (E_RNA) where: Base-Base interactions energy: -1843.763 where: short stacking energy: -836.186 Base-Backbone interact. energy: -3.311 local terms energy: -859.270773 where: bonds (distance) C4'-P energy: -162.839 bonds (distance) P-C4' energy: -143.579 flat angles C4'-P-C4' energy: -174.305 flat angles P-C4'-P energy: -120.014 tors. eta vs tors. theta energy: -258.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2627.159643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.159643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.159643 (E_RNA) where: Base-Base interactions energy: -1863.676 where: short stacking energy: -750.431 Base-Backbone interact. energy: -3.541 local terms energy: -759.942782 where: bonds (distance) C4'-P energy: -133.924 bonds (distance) P-C4' energy: -153.907 flat angles C4'-P-C4' energy: -165.618 flat angles P-C4'-P energy: -100.781 tors. eta vs tors. theta energy: -205.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2445.270055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.270055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.270055 (E_RNA) where: Base-Base interactions energy: -1685.757 where: short stacking energy: -731.247 Base-Backbone interact. energy: -3.705 local terms energy: -755.807665 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -154.829 flat angles P-C4'-P energy: -104.063 tors. eta vs tors. theta energy: -213.654 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: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2350.858325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.858325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.858325 (E_RNA) where: Base-Base interactions energy: -1610.910 where: short stacking energy: -685.933 Base-Backbone interact. energy: 0.505 local terms energy: -740.453260 where: bonds (distance) C4'-P energy: -127.332 bonds (distance) P-C4' energy: -147.886 flat angles C4'-P-C4' energy: -161.816 flat angles P-C4'-P energy: -112.893 tors. eta vs tors. theta energy: -190.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2180.718299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.718299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.718299 (E_RNA) where: Base-Base interactions energy: -1484.321 where: short stacking energy: -663.118 Base-Backbone interact. energy: -1.124 local terms energy: -695.272596 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -130.476 flat angles C4'-P-C4' energy: -150.284 flat angles P-C4'-P energy: -84.143 tors. eta vs tors. theta energy: -193.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2070.890392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.890392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.890392 (E_RNA) where: Base-Base interactions energy: -1391.094 where: short stacking energy: -598.284 Base-Backbone interact. energy: -4.340 local terms energy: -675.456923 where: bonds (distance) C4'-P energy: -139.974 bonds (distance) P-C4' energy: -131.184 flat angles C4'-P-C4' energy: -145.978 flat angles P-C4'-P energy: -93.252 tors. eta vs tors. theta energy: -165.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1917.310787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.310787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.310787 (E_RNA) where: Base-Base interactions energy: -1280.047 where: short stacking energy: -554.708 Base-Backbone interact. energy: 4.524 local terms energy: -641.787829 where: bonds (distance) C4'-P energy: -136.375 bonds (distance) P-C4' energy: -132.913 flat angles C4'-P-C4' energy: -155.825 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -138.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1365.473347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.473347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.473347 (E_RNA) where: Base-Base interactions energy: -814.485 where: short stacking energy: -409.204 Base-Backbone interact. energy: -2.278 local terms energy: -548.709918 where: bonds (distance) C4'-P energy: -128.353 bonds (distance) P-C4' energy: -137.324 flat angles C4'-P-C4' energy: -121.579 flat angles P-C4'-P energy: -78.303 tors. eta vs tors. theta energy: -83.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1152.315439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.315439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.315439 (E_RNA) where: Base-Base interactions energy: -704.957 where: short stacking energy: -324.818 Base-Backbone interact. energy: 5.166 local terms energy: -452.524687 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -123.024 flat angles C4'-P-C4' energy: -116.523 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -27.152 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: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -790.171954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.171954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.171954 (E_RNA) where: Base-Base interactions energy: -390.006 where: short stacking energy: -238.061 Base-Backbone interact. energy: -3.253 local terms energy: -396.913573 where: bonds (distance) C4'-P energy: -104.973 bonds (distance) P-C4' energy: -137.148 flat angles C4'-P-C4' energy: -108.488 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: 7.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2750.681053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.681053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.681053 (E_RNA) where: Base-Base interactions energy: -1873.889 where: short stacking energy: -854.451 Base-Backbone interact. energy: -5.091 local terms energy: -871.701127 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -156.747 flat angles C4'-P-C4' energy: -187.135 flat angles P-C4'-P energy: -125.413 tors. eta vs tors. theta energy: -264.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2618.179204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.179204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.179204 (E_RNA) where: Base-Base interactions energy: -1852.644 where: short stacking energy: -753.852 Base-Backbone interact. energy: -1.533 local terms energy: -764.002469 where: bonds (distance) C4'-P energy: -144.203 bonds (distance) P-C4' energy: -138.912 flat angles C4'-P-C4' energy: -168.830 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -218.292 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: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2463.198943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.198943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.198943 (E_RNA) where: Base-Base interactions energy: -1681.804 where: short stacking energy: -718.091 Base-Backbone interact. energy: 0.990 local terms energy: -782.384708 where: bonds (distance) C4'-P energy: -158.054 bonds (distance) P-C4' energy: -135.423 flat angles C4'-P-C4' energy: -170.372 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -206.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2340.654376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.654376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.654376 (E_RNA) where: Base-Base interactions energy: -1612.050 where: short stacking energy: -679.387 Base-Backbone interact. energy: -2.083 local terms energy: -726.522244 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -148.340 flat angles C4'-P-C4' energy: -169.271 flat angles P-C4'-P energy: -100.881 tors. eta vs tors. theta energy: -185.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2141.553368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.553368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.553368 (E_RNA) where: Base-Base interactions energy: -1426.478 where: short stacking energy: -637.398 Base-Backbone interact. energy: -4.566 local terms energy: -710.509026 where: bonds (distance) C4'-P energy: -130.375 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -106.341 tors. eta vs tors. theta energy: -159.525 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: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2050.522273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.522273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.522273 (E_RNA) where: Base-Base interactions energy: -1363.316 where: short stacking energy: -578.890 Base-Backbone interact. energy: 1.933 local terms energy: -689.139675 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -153.606 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -101.401 tors. eta vs tors. theta energy: -164.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1984.826676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.826676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.826676 (E_RNA) where: Base-Base interactions energy: -1362.745 where: short stacking energy: -580.690 Base-Backbone interact. energy: -2.907 local terms energy: -619.174127 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -136.474 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -152.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1328.225569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.225569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.225569 (E_RNA) where: Base-Base interactions energy: -835.378 where: short stacking energy: -444.007 Base-Backbone interact. energy: -1.397 local terms energy: -491.450117 where: bonds (distance) C4'-P energy: -98.048 bonds (distance) P-C4' energy: -118.314 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -77.093 tors. eta vs tors. theta energy: -70.617 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: 365 Temperature: 1.300000 Total energy: -1091.417168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.417168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.417168 (E_RNA) where: Base-Base interactions energy: -643.170 where: short stacking energy: -314.879 Base-Backbone interact. energy: -0.986 local terms energy: -447.260335 where: bonds (distance) C4'-P energy: -119.089 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -129.387 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -28.477 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: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -742.689605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.689605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.689605 (E_RNA) where: Base-Base interactions energy: -362.722 where: short stacking energy: -236.123 Base-Backbone interact. energy: 7.475 local terms energy: -387.443372 where: bonds (distance) C4'-P energy: -126.836 bonds (distance) P-C4' energy: -118.976 flat angles C4'-P-C4' energy: -103.229 flat angles P-C4'-P energy: -56.102 tors. eta vs tors. theta energy: 17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2775.449077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.449077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.449077 (E_RNA) where: Base-Base interactions energy: -1903.159 where: short stacking energy: -879.155 Base-Backbone interact. energy: -6.782 local terms energy: -865.508012 where: bonds (distance) C4'-P energy: -146.475 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -183.878 flat angles P-C4'-P energy: -112.330 tors. eta vs tors. theta energy: -264.165 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: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2624.025471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.025471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.025471 (E_RNA) where: Base-Base interactions energy: -1857.396 where: short stacking energy: -767.565 Base-Backbone interact. energy: -4.869 local terms energy: -761.761161 where: bonds (distance) C4'-P energy: -134.296 bonds (distance) P-C4' energy: -129.565 flat angles C4'-P-C4' energy: -168.021 flat angles P-C4'-P energy: -115.395 tors. eta vs tors. theta energy: -214.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2470.890121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.890121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.890121 (E_RNA) where: Base-Base interactions energy: -1678.832 where: short stacking energy: -740.732 Base-Backbone interact. energy: -2.554 local terms energy: -789.504138 where: bonds (distance) C4'-P energy: -132.917 bonds (distance) P-C4' energy: -157.128 flat angles C4'-P-C4' energy: -179.597 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -222.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2305.610812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.610812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.610812 (E_RNA) where: Base-Base interactions energy: -1598.687 where: short stacking energy: -667.218 Base-Backbone interact. energy: 0.154 local terms energy: -707.077303 where: bonds (distance) C4'-P energy: -141.038 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -167.361 flat angles P-C4'-P energy: -93.159 tors. eta vs tors. theta energy: -171.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2169.598755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.598755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.598755 (E_RNA) where: Base-Base interactions energy: -1459.950 where: short stacking energy: -644.793 Base-Backbone interact. energy: 1.899 local terms energy: -711.547929 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -142.733 flat angles C4'-P-C4' energy: -162.443 flat angles P-C4'-P energy: -103.627 tors. eta vs tors. theta energy: -181.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2040.246470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.246470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.246470 (E_RNA) where: Base-Base interactions energy: -1391.570 where: short stacking energy: -606.884 Base-Backbone interact. energy: -2.211 local terms energy: -646.465632 where: bonds (distance) C4'-P energy: -124.546 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -81.494 tors. eta vs tors. theta energy: -144.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1974.063216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.063216 (E_RNA) where: Base-Base interactions energy: -1310.591 where: short stacking energy: -583.320 Base-Backbone interact. energy: 0.229 local terms energy: -663.701343 where: bonds (distance) C4'-P energy: -109.703 bonds (distance) P-C4' energy: -139.490 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -157.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1329.187706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.187706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.187706 (E_RNA) where: Base-Base interactions energy: -823.525 where: short stacking energy: -386.518 Base-Backbone interact. energy: -0.757 local terms energy: -504.905840 where: bonds (distance) C4'-P energy: -133.811 bonds (distance) P-C4' energy: -126.037 flat angles C4'-P-C4' energy: -116.102 flat angles P-C4'-P energy: -78.068 tors. eta vs tors. theta energy: -50.888 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: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1103.994385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.994385 (E_RNA) where: Base-Base interactions energy: -628.846 where: short stacking energy: -360.739 Base-Backbone interact. energy: 0.180 local terms energy: -475.328853 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -134.268 flat angles C4'-P-C4' energy: -116.467 flat angles P-C4'-P energy: -65.965 tors. eta vs tors. theta energy: -30.991 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -766.993882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.993882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.993882 (E_RNA) where: Base-Base interactions energy: -360.672 where: short stacking energy: -246.035 Base-Backbone interact. energy: 0.855 local terms energy: -407.177775 where: bonds (distance) C4'-P energy: -129.251 bonds (distance) P-C4' energy: -122.516 flat angles C4'-P-C4' energy: -99.646 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: -8.912 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: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2745.898976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.898976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.898976 (E_RNA) where: Base-Base interactions energy: -1885.409 where: short stacking energy: -848.664 Base-Backbone interact. energy: -3.708 local terms energy: -856.782273 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -164.088 flat angles C4'-P-C4' energy: -180.425 flat angles P-C4'-P energy: -110.108 tors. eta vs tors. theta energy: -271.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2607.034740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.034740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.034740 (E_RNA) where: Base-Base interactions energy: -1826.514 where: short stacking energy: -743.678 Base-Backbone interact. energy: -1.524 local terms energy: -778.996494 where: bonds (distance) C4'-P energy: -146.223 bonds (distance) P-C4' energy: -155.664 flat angles C4'-P-C4' energy: -157.827 flat angles P-C4'-P energy: -115.164 tors. eta vs tors. theta energy: -204.118 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: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2484.506466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.506466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.506466 (E_RNA) where: Base-Base interactions energy: -1682.904 where: short stacking energy: -725.146 Base-Backbone interact. energy: -2.654 local terms energy: -798.948659 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -155.331 flat angles C4'-P-C4' energy: -166.424 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -214.351 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: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2331.997358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.997358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.997358 (E_RNA) where: Base-Base interactions energy: -1607.143 where: short stacking energy: -649.663 Base-Backbone interact. energy: -3.032 local terms energy: -721.822032 where: bonds (distance) C4'-P energy: -131.908 bonds (distance) P-C4' energy: -136.018 flat angles C4'-P-C4' energy: -162.483 flat angles P-C4'-P energy: -106.597 tors. eta vs tors. theta energy: -184.816 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: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2153.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.705047 (E_RNA) where: Base-Base interactions energy: -1467.363 where: short stacking energy: -641.682 Base-Backbone interact. energy: -1.045 local terms energy: -685.297202 where: bonds (distance) C4'-P energy: -129.979 bonds (distance) P-C4' energy: -148.064 flat angles C4'-P-C4' energy: -141.381 flat angles P-C4'-P energy: -89.861 tors. eta vs tors. theta energy: -176.012 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: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2129.975340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.975340 (E_RNA) where: Base-Base interactions energy: -1445.161 where: short stacking energy: -657.546 Base-Backbone interact. energy: -1.361 local terms energy: -683.454042 where: bonds (distance) C4'-P energy: -142.053 bonds (distance) P-C4' energy: -121.995 flat angles C4'-P-C4' energy: -148.279 flat angles P-C4'-P energy: -88.105 tors. eta vs tors. theta energy: -183.022 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: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1946.679150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.679150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.679150 (E_RNA) where: Base-Base interactions energy: -1320.753 where: short stacking energy: -550.029 Base-Backbone interact. energy: -3.373 local terms energy: -622.553442 where: bonds (distance) C4'-P energy: -122.457 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -137.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1356.478912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.478912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.478912 (E_RNA) where: Base-Base interactions energy: -844.910 where: short stacking energy: -408.671 Base-Backbone interact. energy: 2.780 local terms energy: -514.349776 where: bonds (distance) C4'-P energy: -108.509 bonds (distance) P-C4' energy: -136.177 flat angles C4'-P-C4' energy: -131.451 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -66.008 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1082.841849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.841849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.841849 (E_RNA) where: Base-Base interactions energy: -604.106 where: short stacking energy: -302.266 Base-Backbone interact. energy: 3.058 local terms energy: -481.794096 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -124.718 flat angles P-C4'-P energy: -60.748 tors. eta vs tors. theta energy: -26.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -746.341540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.341540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.341540 (E_RNA) where: Base-Base interactions energy: -331.929 where: short stacking energy: -202.292 Base-Backbone interact. energy: 8.000 local terms energy: -422.413137 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -152.184 flat angles C4'-P-C4' energy: -109.960 flat angles P-C4'-P energy: -70.965 tors. eta vs tors. theta energy: 13.497 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: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2786.082916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.082916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.082916 (E_RNA) where: Base-Base interactions energy: -1888.501 where: short stacking energy: -854.929 Base-Backbone interact. energy: -4.683 local terms energy: -892.899328 where: bonds (distance) C4'-P energy: -162.662 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -179.362 flat angles P-C4'-P energy: -133.035 tors. eta vs tors. theta energy: -271.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2621.272379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.272379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.272379 (E_RNA) where: Base-Base interactions energy: -1848.051 where: short stacking energy: -734.193 Base-Backbone interact. energy: -0.885 local terms energy: -772.336479 where: bonds (distance) C4'-P energy: -133.314 bonds (distance) P-C4' energy: -165.953 flat angles C4'-P-C4' energy: -162.244 flat angles P-C4'-P energy: -111.651 tors. eta vs tors. theta energy: -199.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2474.208929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.208929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.208929 (E_RNA) where: Base-Base interactions energy: -1691.932 where: short stacking energy: -689.294 Base-Backbone interact. energy: -1.940 local terms energy: -780.336843 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -156.735 flat angles C4'-P-C4' energy: -165.267 flat angles P-C4'-P energy: -116.864 tors. eta vs tors. theta energy: -195.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2351.846262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.846262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.846262 (E_RNA) where: Base-Base interactions energy: -1607.371 where: short stacking energy: -698.895 Base-Backbone interact. energy: 2.576 local terms energy: -747.051740 where: bonds (distance) C4'-P energy: -141.740 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -167.367 flat angles P-C4'-P energy: -110.995 tors. eta vs tors. theta energy: -190.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2164.049006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.049006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.049006 (E_RNA) where: Base-Base interactions energy: -1451.439 where: short stacking energy: -641.744 Base-Backbone interact. energy: -4.751 local terms energy: -707.858874 where: bonds (distance) C4'-P energy: -143.970 bonds (distance) P-C4' energy: -138.265 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -98.930 tors. eta vs tors. theta energy: -171.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2060.643778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.643778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.643778 (E_RNA) where: Base-Base interactions energy: -1394.188 where: short stacking energy: -636.703 Base-Backbone interact. energy: -2.324 local terms energy: -664.131752 where: bonds (distance) C4'-P energy: -127.519 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -168.562 flat angles P-C4'-P energy: -85.681 tors. eta vs tors. theta energy: -155.617 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1958.528474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.528474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.528474 (E_RNA) where: Base-Base interactions energy: -1328.979 where: short stacking energy: -577.776 Base-Backbone interact. energy: -4.067 local terms energy: -625.483190 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -131.715 flat angles C4'-P-C4' energy: -133.761 flat angles P-C4'-P energy: -100.048 tors. eta vs tors. theta energy: -150.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1365.528334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.528334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.528334 (E_RNA) where: Base-Base interactions energy: -835.176 where: short stacking energy: -412.098 Base-Backbone interact. energy: -0.491 local terms energy: -529.861390 where: bonds (distance) C4'-P energy: -111.558 bonds (distance) P-C4' energy: -124.074 flat angles C4'-P-C4' energy: -139.992 flat angles P-C4'-P energy: -78.811 tors. eta vs tors. theta energy: -75.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1134.437312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.437312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.437312 (E_RNA) where: Base-Base interactions energy: -652.780 where: short stacking energy: -329.717 Base-Backbone interact. energy: 0.260 local terms energy: -481.917667 where: bonds (distance) C4'-P energy: -142.363 bonds (distance) P-C4' energy: -125.005 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -80.539 tors. eta vs tors. theta energy: -44.710 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: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -730.315388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.315388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.315388 (E_RNA) where: Base-Base interactions energy: -374.164 where: short stacking energy: -218.482 Base-Backbone interact. energy: 6.817 local terms energy: -362.967724 where: bonds (distance) C4'-P energy: -96.601 bonds (distance) P-C4' energy: -127.829 flat angles C4'-P-C4' energy: -103.123 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: 14.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2770.106033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.106033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.106033 (E_RNA) where: Base-Base interactions energy: -1909.282 where: short stacking energy: -854.190 Base-Backbone interact. energy: -0.413 local terms energy: -860.411159 where: bonds (distance) C4'-P energy: -148.568 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -169.684 flat angles P-C4'-P energy: -129.323 tors. eta vs tors. theta energy: -263.702 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: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2616.968631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.968631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.968631 (E_RNA) where: Base-Base interactions energy: -1814.945 where: short stacking energy: -744.051 Base-Backbone interact. energy: -2.289 local terms energy: -799.734658 where: bonds (distance) C4'-P energy: -146.275 bonds (distance) P-C4' energy: -150.302 flat angles C4'-P-C4' energy: -182.074 flat angles P-C4'-P energy: -117.644 tors. eta vs tors. theta energy: -203.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2451.014975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.014975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.014975 (E_RNA) where: Base-Base interactions energy: -1694.923 where: short stacking energy: -682.337 Base-Backbone interact. energy: -2.348 local terms energy: -753.744433 where: bonds (distance) C4'-P energy: -155.323 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -162.417 flat angles P-C4'-P energy: -98.032 tors. eta vs tors. theta energy: -199.327 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: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2341.641011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.641011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.641011 (E_RNA) where: Base-Base interactions energy: -1590.609 where: short stacking energy: -662.455 Base-Backbone interact. energy: -3.872 local terms energy: -747.160224 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -150.489 flat angles C4'-P-C4' energy: -164.905 flat angles P-C4'-P energy: -97.911 tors. eta vs tors. theta energy: -181.495 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: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2161.899036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.899036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.899036 (E_RNA) where: Base-Base interactions energy: -1432.648 where: short stacking energy: -621.262 Base-Backbone interact. energy: -1.154 local terms energy: -728.097324 where: bonds (distance) C4'-P energy: -130.847 bonds (distance) P-C4' energy: -164.078 flat angles C4'-P-C4' energy: -162.223 flat angles P-C4'-P energy: -94.490 tors. eta vs tors. theta energy: -176.460 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2117.148604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.148604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.148604 (E_RNA) where: Base-Base interactions energy: -1449.052 where: short stacking energy: -606.400 Base-Backbone interact. energy: -3.899 local terms energy: -664.197252 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -141.174 flat angles C4'-P-C4' energy: -149.620 flat angles P-C4'-P energy: -95.697 tors. eta vs tors. theta energy: -156.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1969.063689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.063689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.063689 (E_RNA) where: Base-Base interactions energy: -1333.350 where: short stacking energy: -524.263 Base-Backbone interact. energy: -2.803 local terms energy: -632.910185 where: bonds (distance) C4'-P energy: -126.344 bonds (distance) P-C4' energy: -146.136 flat angles C4'-P-C4' energy: -151.633 flat angles P-C4'-P energy: -69.828 tors. eta vs tors. theta energy: -138.970 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: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1344.483405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.483405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.483405 (E_RNA) where: Base-Base interactions energy: -847.434 where: short stacking energy: -393.258 Base-Backbone interact. energy: 1.374 local terms energy: -498.422859 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -128.771 flat angles C4'-P-C4' energy: -114.876 flat angles P-C4'-P energy: -83.648 tors. eta vs tors. theta energy: -56.532 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: 369 Temperature: 1.300000 Total energy: -1142.795730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.795730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.795730 (E_RNA) where: Base-Base interactions energy: -658.179 where: short stacking energy: -321.410 Base-Backbone interact. energy: 2.907 local terms energy: -487.523307 where: bonds (distance) C4'-P energy: -118.647 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -125.185 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -26.100 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -798.183667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.183667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.183667 (E_RNA) where: Base-Base interactions energy: -375.998 where: short stacking energy: -226.672 Base-Backbone interact. energy: 4.555 local terms energy: -426.740264 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -156.777 flat angles C4'-P-C4' energy: -96.244 flat angles P-C4'-P energy: -49.653 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2749.364031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.364031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.364031 (E_RNA) where: Base-Base interactions energy: -1889.982 where: short stacking energy: -855.020 Base-Backbone interact. energy: -0.888 local terms energy: -858.494107 where: bonds (distance) C4'-P energy: -145.805 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -185.408 flat angles P-C4'-P energy: -126.185 tors. eta vs tors. theta energy: -264.506 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: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2638.608496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.608496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.608496 (E_RNA) where: Base-Base interactions energy: -1830.740 where: short stacking energy: -748.244 Base-Backbone interact. energy: -0.595 local terms energy: -807.272839 where: bonds (distance) C4'-P energy: -161.721 bonds (distance) P-C4' energy: -151.445 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -119.784 tors. eta vs tors. theta energy: -205.712 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: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2484.799935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.799935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.799935 (E_RNA) where: Base-Base interactions energy: -1695.818 where: short stacking energy: -728.674 Base-Backbone interact. energy: -4.184 local terms energy: -784.798517 where: bonds (distance) C4'-P energy: -142.569 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -171.498 flat angles P-C4'-P energy: -105.746 tors. eta vs tors. theta energy: -213.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2343.277838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.277838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.277838 (E_RNA) where: Base-Base interactions energy: -1622.846 where: short stacking energy: -683.864 Base-Backbone interact. energy: -2.781 local terms energy: -717.650885 where: bonds (distance) C4'-P energy: -143.207 bonds (distance) P-C4' energy: -135.924 flat angles C4'-P-C4' energy: -164.269 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -179.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2106.093004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.093004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.093004 (E_RNA) where: Base-Base interactions energy: -1414.118 where: short stacking energy: -630.250 Base-Backbone interact. energy: -2.476 local terms energy: -689.499089 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -122.000 flat angles C4'-P-C4' energy: -154.963 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -171.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2127.572750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.572750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.572750 (E_RNA) where: Base-Base interactions energy: -1439.893 where: short stacking energy: -629.322 Base-Backbone interact. energy: -4.769 local terms energy: -682.910649 where: bonds (distance) C4'-P energy: -129.308 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -96.317 tors. eta vs tors. theta energy: -193.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2028.880051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.880051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.880051 (E_RNA) where: Base-Base interactions energy: -1363.887 where: short stacking energy: -569.641 Base-Backbone interact. energy: -2.464 local terms energy: -662.528307 where: bonds (distance) C4'-P energy: -137.067 bonds (distance) P-C4' energy: -142.794 flat angles C4'-P-C4' energy: -155.602 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -140.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1367.968780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.968780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.968780 (E_RNA) where: Base-Base interactions energy: -832.432 where: short stacking energy: -392.622 Base-Backbone interact. energy: 1.341 local terms energy: -536.878533 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -128.608 flat angles P-C4'-P energy: -91.758 tors. eta vs tors. theta energy: -63.776 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: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1180.146916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.146916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.146916 (E_RNA) where: Base-Base interactions energy: -655.548 where: short stacking energy: -311.037 Base-Backbone interact. energy: -3.802 local terms energy: -520.796610 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -143.309 flat angles C4'-P-C4' energy: -134.769 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -41.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -770.792624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.792624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.792624 (E_RNA) where: Base-Base interactions energy: -316.537 where: short stacking energy: -214.174 Base-Backbone interact. energy: 1.030 local terms energy: -455.285639 where: bonds (distance) C4'-P energy: -130.732 bonds (distance) P-C4' energy: -136.797 flat angles C4'-P-C4' energy: -115.444 flat angles P-C4'-P energy: -79.788 tors. eta vs tors. theta energy: 7.476 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: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2749.189655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.189655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.189655 (E_RNA) where: Base-Base interactions energy: -1866.813 where: short stacking energy: -838.328 Base-Backbone interact. energy: -2.994 local terms energy: -879.382666 where: bonds (distance) C4'-P energy: -155.838 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -133.559 tors. eta vs tors. theta energy: -261.196 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: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2601.869348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.869348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.869348 (E_RNA) where: Base-Base interactions energy: -1809.851 where: short stacking energy: -750.851 Base-Backbone interact. energy: -3.117 local terms energy: -788.901845 where: bonds (distance) C4'-P energy: -152.943 bonds (distance) P-C4' energy: -155.728 flat angles C4'-P-C4' energy: -161.860 flat angles P-C4'-P energy: -106.795 tors. eta vs tors. theta energy: -211.576 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: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2484.096436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.096436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.096436 (E_RNA) where: Base-Base interactions energy: -1714.103 where: short stacking energy: -735.805 Base-Backbone interact. energy: -3.104 local terms energy: -766.890092 where: bonds (distance) C4'-P energy: -154.745 bonds (distance) P-C4' energy: -116.220 flat angles C4'-P-C4' energy: -176.731 flat angles P-C4'-P energy: -116.860 tors. eta vs tors. theta energy: -202.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2321.803378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.803378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.803378 (E_RNA) where: Base-Base interactions energy: -1619.480 where: short stacking energy: -693.703 Base-Backbone interact. energy: -5.331 local terms energy: -696.992447 where: bonds (distance) C4'-P energy: -123.684 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -161.962 flat angles P-C4'-P energy: -96.360 tors. eta vs tors. theta energy: -187.417 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: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2090.722941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.722941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.722941 (E_RNA) where: Base-Base interactions energy: -1391.844 where: short stacking energy: -626.927 Base-Backbone interact. energy: -4.295 local terms energy: -694.583047 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -157.549 flat angles P-C4'-P energy: -94.220 tors. eta vs tors. theta energy: -176.677 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: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2061.727288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.727288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.727288 (E_RNA) where: Base-Base interactions energy: -1390.668 where: short stacking energy: -602.610 Base-Backbone interact. energy: 2.405 local terms energy: -673.464299 where: bonds (distance) C4'-P energy: -131.855 bonds (distance) P-C4' energy: -138.315 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -102.079 tors. eta vs tors. theta energy: -157.579 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: 371 Temperature: 1.200000 Total energy: -1992.375512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.375512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.375512 (E_RNA) where: Base-Base interactions energy: -1367.241 where: short stacking energy: -566.174 Base-Backbone interact. energy: -0.421 local terms energy: -624.713051 where: bonds (distance) C4'-P energy: -140.094 bonds (distance) P-C4' energy: -140.623 flat angles C4'-P-C4' energy: -135.387 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -130.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1435.862519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.862519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.862519 (E_RNA) where: Base-Base interactions energy: -914.176 where: short stacking energy: -441.140 Base-Backbone interact. energy: 1.167 local terms energy: -522.853071 where: bonds (distance) C4'-P energy: -130.559 bonds (distance) P-C4' energy: -129.298 flat angles C4'-P-C4' energy: -121.797 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -75.496 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: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1167.908020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.908020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.908020 (E_RNA) where: Base-Base interactions energy: -671.647 where: short stacking energy: -299.895 Base-Backbone interact. energy: -4.991 local terms energy: -491.269203 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -126.381 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -88.045 tors. eta vs tors. theta energy: -29.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -710.397372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.397372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.397372 (E_RNA) where: Base-Base interactions energy: -341.298 where: short stacking energy: -210.963 Base-Backbone interact. energy: -2.390 local terms energy: -366.709680 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -127.770 flat angles C4'-P-C4' energy: -79.203 flat angles P-C4'-P energy: -68.211 tors. eta vs tors. theta energy: 16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2728.594796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.594796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.594796 (E_RNA) where: Base-Base interactions energy: -1847.451 where: short stacking energy: -852.634 Base-Backbone interact. energy: -1.800 local terms energy: -879.343662 where: bonds (distance) C4'-P energy: -154.774 bonds (distance) P-C4' energy: -151.448 flat angles C4'-P-C4' energy: -181.422 flat angles P-C4'-P energy: -124.545 tors. eta vs tors. theta energy: -267.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2605.146582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.146582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.146582 (E_RNA) where: Base-Base interactions energy: -1832.472 where: short stacking energy: -773.700 Base-Backbone interact. energy: -4.051 local terms energy: -768.623510 where: bonds (distance) C4'-P energy: -142.483 bonds (distance) P-C4' energy: -139.020 flat angles C4'-P-C4' energy: -172.817 flat angles P-C4'-P energy: -106.604 tors. eta vs tors. theta energy: -207.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2465.801675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.801675 (E_RNA) where: Base-Base interactions energy: -1689.651 where: short stacking energy: -724.454 Base-Backbone interact. energy: 1.483 local terms energy: -777.633533 where: bonds (distance) C4'-P energy: -154.450 bonds (distance) P-C4' energy: -152.211 flat angles C4'-P-C4' energy: -158.938 flat angles P-C4'-P energy: -100.792 tors. eta vs tors. theta energy: -211.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2345.644728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.644728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.644728 (E_RNA) where: Base-Base interactions energy: -1623.712 where: short stacking energy: -680.742 Base-Backbone interact. energy: -4.966 local terms energy: -716.966438 where: bonds (distance) C4'-P energy: -142.148 bonds (distance) P-C4' energy: -127.223 flat angles C4'-P-C4' energy: -160.207 flat angles P-C4'-P energy: -93.244 tors. eta vs tors. theta energy: -194.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2132.378087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.378087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.378087 (E_RNA) where: Base-Base interactions energy: -1436.345 where: short stacking energy: -597.900 Base-Backbone interact. energy: 4.098 local terms energy: -700.130909 where: bonds (distance) C4'-P energy: -126.881 bonds (distance) P-C4' energy: -136.257 flat angles C4'-P-C4' energy: -164.604 flat angles P-C4'-P energy: -95.030 tors. eta vs tors. theta energy: -177.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2107.521670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.521670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.521670 (E_RNA) where: Base-Base interactions energy: -1425.433 where: short stacking energy: -629.619 Base-Backbone interact. energy: -2.782 local terms energy: -679.307063 where: bonds (distance) C4'-P energy: -130.424 bonds (distance) P-C4' energy: -133.368 flat angles C4'-P-C4' energy: -146.172 flat angles P-C4'-P energy: -99.902 tors. eta vs tors. theta energy: -169.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1957.292407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.292407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.292407 (E_RNA) where: Base-Base interactions energy: -1306.104 where: short stacking energy: -551.777 Base-Backbone interact. energy: -1.393 local terms energy: -649.794537 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -149.659 flat angles C4'-P-C4' energy: -144.045 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -142.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1425.758883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.758883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.758883 (E_RNA) where: Base-Base interactions energy: -866.948 where: short stacking energy: -427.281 Base-Backbone interact. energy: 0.162 local terms energy: -558.972467 where: bonds (distance) C4'-P energy: -122.467 bonds (distance) P-C4' energy: -122.796 flat angles C4'-P-C4' energy: -139.328 flat angles P-C4'-P energy: -87.933 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1159.904638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.904638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.904638 (E_RNA) where: Base-Base interactions energy: -684.123 where: short stacking energy: -334.672 Base-Backbone interact. energy: -1.713 local terms energy: -474.068081 where: bonds (distance) C4'-P energy: -139.559 bonds (distance) P-C4' energy: -110.176 flat angles C4'-P-C4' energy: -121.449 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: -37.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -760.962401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.962401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.962401 (E_RNA) where: Base-Base interactions energy: -353.709 where: short stacking energy: -218.515 Base-Backbone interact. energy: -3.479 local terms energy: -403.773473 where: bonds (distance) C4'-P energy: -98.734 bonds (distance) P-C4' energy: -130.574 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -9.602 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: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2754.120259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.120259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.120259 (E_RNA) where: Base-Base interactions energy: -1860.390 where: short stacking energy: -841.536 Base-Backbone interact. energy: -4.491 local terms energy: -889.239058 where: bonds (distance) C4'-P energy: -141.851 bonds (distance) P-C4' energy: -168.030 flat angles C4'-P-C4' energy: -187.698 flat angles P-C4'-P energy: -126.062 tors. eta vs tors. theta energy: -265.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2574.988349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.988349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.988349 (E_RNA) where: Base-Base interactions energy: -1789.301 where: short stacking energy: -716.604 Base-Backbone interact. energy: -5.842 local terms energy: -779.845365 where: bonds (distance) C4'-P energy: -140.916 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -170.673 flat angles P-C4'-P energy: -119.324 tors. eta vs tors. theta energy: -195.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2483.661814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.661814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.661814 (E_RNA) where: Base-Base interactions energy: -1710.361 where: short stacking energy: -745.053 Base-Backbone interact. energy: -3.940 local terms energy: -769.360551 where: bonds (distance) C4'-P energy: -146.295 bonds (distance) P-C4' energy: -124.690 flat angles C4'-P-C4' energy: -176.878 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -212.826 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: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2311.896171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.896171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.896171 (E_RNA) where: Base-Base interactions energy: -1603.642 where: short stacking energy: -684.795 Base-Backbone interact. energy: -3.749 local terms energy: -704.505164 where: bonds (distance) C4'-P energy: -146.946 bonds (distance) P-C4' energy: -135.096 flat angles C4'-P-C4' energy: -149.338 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -184.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2098.312332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.312332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.312332 (E_RNA) where: Base-Base interactions energy: -1399.008 where: short stacking energy: -620.235 Base-Backbone interact. energy: -1.028 local terms energy: -698.276350 where: bonds (distance) C4'-P energy: -133.494 bonds (distance) P-C4' energy: -134.339 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -101.003 tors. eta vs tors. theta energy: -169.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2050.873307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.873307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.873307 (E_RNA) where: Base-Base interactions energy: -1386.012 where: short stacking energy: -608.466 Base-Backbone interact. energy: 1.552 local terms energy: -666.413103 where: bonds (distance) C4'-P energy: -134.476 bonds (distance) P-C4' energy: -143.604 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -103.022 tors. eta vs tors. theta energy: -155.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1954.632764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.632764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.632764 (E_RNA) where: Base-Base interactions energy: -1343.850 where: short stacking energy: -583.889 Base-Backbone interact. energy: 3.212 local terms energy: -613.994213 where: bonds (distance) C4'-P energy: -112.409 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -82.410 tors. eta vs tors. theta energy: -154.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1402.167372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.167372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.167372 (E_RNA) where: Base-Base interactions energy: -885.117 where: short stacking energy: -411.560 Base-Backbone interact. energy: -2.145 local terms energy: -514.905283 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -136.716 flat angles P-C4'-P energy: -78.724 tors. eta vs tors. theta energy: -76.240 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: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1235.002145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.002145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.002145 (E_RNA) where: Base-Base interactions energy: -754.839 where: short stacking energy: -356.633 Base-Backbone interact. energy: 3.766 local terms energy: -483.928937 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -138.382 flat angles C4'-P-C4' energy: -121.564 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -52.309 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: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -828.299628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.299628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.299628 (E_RNA) where: Base-Base interactions energy: -427.829 where: short stacking energy: -227.402 Base-Backbone interact. energy: 0.248 local terms energy: -400.718158 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -119.216 flat angles C4'-P-C4' energy: -84.075 flat angles P-C4'-P energy: -54.302 tors. eta vs tors. theta energy: -0.058 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: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2761.194399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.194399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.194399 (E_RNA) where: Base-Base interactions energy: -1880.457 where: short stacking energy: -829.673 Base-Backbone interact. energy: -4.563 local terms energy: -876.173833 where: bonds (distance) C4'-P energy: -151.727 bonds (distance) P-C4' energy: -164.041 flat angles C4'-P-C4' energy: -176.734 flat angles P-C4'-P energy: -120.137 tors. eta vs tors. theta energy: -263.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2581.638144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.638144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.638144 (E_RNA) where: Base-Base interactions energy: -1798.134 where: short stacking energy: -758.935 Base-Backbone interact. energy: -4.357 local terms energy: -779.147259 where: bonds (distance) C4'-P energy: -133.842 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -175.359 flat angles P-C4'-P energy: -100.905 tors. eta vs tors. theta energy: -220.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2479.123098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.123098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.123098 (E_RNA) where: Base-Base interactions energy: -1726.009 where: short stacking energy: -722.938 Base-Backbone interact. energy: -2.805 local terms energy: -750.309694 where: bonds (distance) C4'-P energy: -138.326 bonds (distance) P-C4' energy: -142.855 flat angles C4'-P-C4' energy: -161.562 flat angles P-C4'-P energy: -103.124 tors. eta vs tors. theta energy: -204.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2337.456692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.456692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.456692 (E_RNA) where: Base-Base interactions energy: -1622.870 where: short stacking energy: -700.226 Base-Backbone interact. energy: -3.982 local terms energy: -710.604647 where: bonds (distance) C4'-P energy: -126.631 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -164.924 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -189.173 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: 374 Temperature: 1.100000 Total energy: -2146.747793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.747793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.747793 (E_RNA) where: Base-Base interactions energy: -1464.984 where: short stacking energy: -630.475 Base-Backbone interact. energy: -0.864 local terms energy: -680.899441 where: bonds (distance) C4'-P energy: -129.807 bonds (distance) P-C4' energy: -133.409 flat angles C4'-P-C4' energy: -152.407 flat angles P-C4'-P energy: -106.250 tors. eta vs tors. theta energy: -159.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2121.749225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.749225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.749225 (E_RNA) where: Base-Base interactions energy: -1408.371 where: short stacking energy: -636.328 Base-Backbone interact. energy: -1.003 local terms energy: -712.374876 where: bonds (distance) C4'-P energy: -140.574 bonds (distance) P-C4' energy: -132.553 flat angles C4'-P-C4' energy: -146.849 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -181.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1912.465415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.465415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.465415 (E_RNA) where: Base-Base interactions energy: -1273.887 where: short stacking energy: -576.625 Base-Backbone interact. energy: -1.820 local terms energy: -636.758787 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -123.977 flat angles C4'-P-C4' energy: -171.176 flat angles P-C4'-P energy: -96.571 tors. eta vs tors. theta energy: -133.069 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: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1402.601928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.601928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.601928 (E_RNA) where: Base-Base interactions energy: -872.228 where: short stacking energy: -414.681 Base-Backbone interact. energy: -1.407 local terms energy: -528.966908 where: bonds (distance) C4'-P energy: -134.091 bonds (distance) P-C4' energy: -121.817 flat angles C4'-P-C4' energy: -109.367 flat angles P-C4'-P energy: -93.217 tors. eta vs tors. theta energy: -70.476 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: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1324.198751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.198751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.198751 (E_RNA) where: Base-Base interactions energy: -840.046 where: short stacking energy: -402.445 Base-Backbone interact. energy: -2.601 local terms energy: -481.552178 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -109.652 flat angles C4'-P-C4' energy: -110.484 flat angles P-C4'-P energy: -77.690 tors. eta vs tors. theta energy: -61.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -833.334225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.334225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.334225 (E_RNA) where: Base-Base interactions energy: -448.013 where: short stacking energy: -228.997 Base-Backbone interact. energy: 1.396 local terms energy: -386.717666 where: bonds (distance) C4'-P energy: -107.121 bonds (distance) P-C4' energy: -124.450 flat angles C4'-P-C4' energy: -101.775 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: 16.135 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: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2739.894380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.894380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.894380 (E_RNA) where: Base-Base interactions energy: -1877.837 where: short stacking energy: -855.404 Base-Backbone interact. energy: -3.117 local terms energy: -858.939780 where: bonds (distance) C4'-P energy: -145.064 bonds (distance) P-C4' energy: -152.080 flat angles C4'-P-C4' energy: -185.953 flat angles P-C4'-P energy: -121.387 tors. eta vs tors. theta energy: -254.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2601.276265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.276265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.276265 (E_RNA) where: Base-Base interactions energy: -1809.059 where: short stacking energy: -743.541 Base-Backbone interact. energy: -2.539 local terms energy: -789.678387 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -149.883 flat angles C4'-P-C4' energy: -155.425 flat angles P-C4'-P energy: -118.361 tors. eta vs tors. theta energy: -215.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2502.199830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.199830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.199830 (E_RNA) where: Base-Base interactions energy: -1710.492 where: short stacking energy: -717.264 Base-Backbone interact. energy: -4.861 local terms energy: -786.846428 where: bonds (distance) C4'-P energy: -151.769 bonds (distance) P-C4' energy: -153.750 flat angles C4'-P-C4' energy: -178.340 flat angles P-C4'-P energy: -88.550 tors. eta vs tors. theta energy: -214.438 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: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2344.584354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.584354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.584354 (E_RNA) where: Base-Base interactions energy: -1601.157 where: short stacking energy: -656.136 Base-Backbone interact. energy: -4.841 local terms energy: -738.586848 where: bonds (distance) C4'-P energy: -140.185 bonds (distance) P-C4' energy: -145.265 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -111.629 tors. eta vs tors. theta energy: -185.222 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: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2174.057696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.057696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.057696 (E_RNA) where: Base-Base interactions energy: -1446.283 where: short stacking energy: -674.914 Base-Backbone interact. energy: -2.329 local terms energy: -725.444862 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -141.013 flat angles C4'-P-C4' energy: -142.551 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -199.256 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: 375 Temperature: 1.150000 Total energy: -2028.738100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.738100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.738100 (E_RNA) where: Base-Base interactions energy: -1371.880 where: short stacking energy: -600.820 Base-Backbone interact. energy: 2.531 local terms energy: -659.388765 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -143.079 flat angles C4'-P-C4' energy: -148.383 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -152.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1963.548243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.548243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.548243 (E_RNA) where: Base-Base interactions energy: -1319.563 where: short stacking energy: -587.883 Base-Backbone interact. energy: -2.595 local terms energy: -641.389422 where: bonds (distance) C4'-P energy: -121.634 bonds (distance) P-C4' energy: -129.655 flat angles C4'-P-C4' energy: -151.725 flat angles P-C4'-P energy: -83.968 tors. eta vs tors. theta energy: -154.407 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: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1441.811615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.811615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.811615 (E_RNA) where: Base-Base interactions energy: -874.158 where: short stacking energy: -405.359 Base-Backbone interact. energy: 5.130 local terms energy: -572.783521 where: bonds (distance) C4'-P energy: -124.045 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -126.933 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -70.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1340.996919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.996919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.996919 (E_RNA) where: Base-Base interactions energy: -813.376 where: short stacking energy: -382.968 Base-Backbone interact. energy: -4.623 local terms energy: -522.997747 where: bonds (distance) C4'-P energy: -119.627 bonds (distance) P-C4' energy: -126.538 flat angles C4'-P-C4' energy: -142.109 flat angles P-C4'-P energy: -69.795 tors. eta vs tors. theta energy: -64.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -782.863708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.863708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.863708 (E_RNA) where: Base-Base interactions energy: -352.505 where: short stacking energy: -207.023 Base-Backbone interact. energy: 0.582 local terms energy: -430.940646 where: bonds (distance) C4'-P energy: -134.763 bonds (distance) P-C4' energy: -120.900 flat angles C4'-P-C4' energy: -106.648 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: 5.977 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: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2736.268419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.268419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.268419 (E_RNA) where: Base-Base interactions energy: -1896.922 where: short stacking energy: -853.231 Base-Backbone interact. energy: -4.442 local terms energy: -834.904698 where: bonds (distance) C4'-P energy: -147.749 bonds (distance) P-C4' energy: -166.123 flat angles C4'-P-C4' energy: -164.442 flat angles P-C4'-P energy: -106.170 tors. eta vs tors. theta energy: -250.421 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: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2620.009075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.009075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.009075 (E_RNA) where: Base-Base interactions energy: -1815.002 where: short stacking energy: -766.098 Base-Backbone interact. energy: -3.474 local terms energy: -801.533046 where: bonds (distance) C4'-P energy: -147.066 bonds (distance) P-C4' energy: -156.457 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -117.246 tors. eta vs tors. theta energy: -211.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2475.910374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.910374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.910374 (E_RNA) where: Base-Base interactions energy: -1708.553 where: short stacking energy: -718.657 Base-Backbone interact. energy: -1.431 local terms energy: -765.926728 where: bonds (distance) C4'-P energy: -160.250 bonds (distance) P-C4' energy: -146.379 flat angles C4'-P-C4' energy: -160.278 flat angles P-C4'-P energy: -98.520 tors. eta vs tors. theta energy: -200.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2346.737940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.737940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.737940 (E_RNA) where: Base-Base interactions energy: -1643.382 where: short stacking energy: -698.551 Base-Backbone interact. energy: 1.024 local terms energy: -704.380588 where: bonds (distance) C4'-P energy: -123.127 bonds (distance) P-C4' energy: -148.535 flat angles C4'-P-C4' energy: -146.496 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -188.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2209.096939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.096939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.096939 (E_RNA) where: Base-Base interactions energy: -1494.962 where: short stacking energy: -662.268 Base-Backbone interact. energy: -4.130 local terms energy: -710.004423 where: bonds (distance) C4'-P energy: -124.085 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -157.370 flat angles P-C4'-P energy: -99.025 tors. eta vs tors. theta energy: -193.927 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: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2059.765978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.765978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.765978 (E_RNA) where: Base-Base interactions energy: -1400.744 where: short stacking energy: -612.234 Base-Backbone interact. energy: -1.684 local terms energy: -657.337964 where: bonds (distance) C4'-P energy: -125.624 bonds (distance) P-C4' energy: -137.880 flat angles C4'-P-C4' energy: -139.887 flat angles P-C4'-P energy: -91.147 tors. eta vs tors. theta energy: -162.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1975.511276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.511276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.511276 (E_RNA) where: Base-Base interactions energy: -1356.290 where: short stacking energy: -571.759 Base-Backbone interact. energy: -3.710 local terms energy: -615.510511 where: bonds (distance) C4'-P energy: -123.565 bonds (distance) P-C4' energy: -113.057 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -143.172 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: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1464.091911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.091911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.091911 (E_RNA) where: Base-Base interactions energy: -904.339 where: short stacking energy: -439.015 Base-Backbone interact. energy: -3.534 local terms energy: -556.218572 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -124.956 flat angles C4'-P-C4' energy: -130.765 flat angles P-C4'-P energy: -95.767 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: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1244.789725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.789725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.789725 (E_RNA) where: Base-Base interactions energy: -732.673 where: short stacking energy: -356.407 Base-Backbone interact. energy: -2.490 local terms energy: -509.626318 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -138.797 flat angles P-C4'-P energy: -74.129 tors. eta vs tors. theta energy: -48.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -746.822991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.822991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.822991 (E_RNA) where: Base-Base interactions energy: -349.034 where: short stacking energy: -194.523 Base-Backbone interact. energy: -0.216 local terms energy: -397.572756 where: bonds (distance) C4'-P energy: -109.970 bonds (distance) P-C4' energy: -118.573 flat angles C4'-P-C4' energy: -116.173 flat angles P-C4'-P energy: -67.890 tors. eta vs tors. theta energy: 15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2716.844615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.844615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.844615 (E_RNA) where: Base-Base interactions energy: -1829.356 where: short stacking energy: -840.932 Base-Backbone interact. energy: -3.366 local terms energy: -884.123073 where: bonds (distance) C4'-P energy: -164.593 bonds (distance) P-C4' energy: -158.670 flat angles C4'-P-C4' energy: -181.657 flat angles P-C4'-P energy: -131.233 tors. eta vs tors. theta energy: -247.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2619.739643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.739643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.739643 (E_RNA) where: Base-Base interactions energy: -1834.376 where: short stacking energy: -741.987 Base-Backbone interact. energy: -2.568 local terms energy: -782.796435 where: bonds (distance) C4'-P energy: -137.730 bonds (distance) P-C4' energy: -148.475 flat angles C4'-P-C4' energy: -168.777 flat angles P-C4'-P energy: -123.648 tors. eta vs tors. theta energy: -204.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2440.323425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.323425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.323425 (E_RNA) where: Base-Base interactions energy: -1649.495 where: short stacking energy: -729.008 Base-Backbone interact. energy: 0.644 local terms energy: -791.471777 where: bonds (distance) C4'-P energy: -140.426 bonds (distance) P-C4' energy: -161.756 flat angles C4'-P-C4' energy: -165.949 flat angles P-C4'-P energy: -115.531 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: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2332.933792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.933792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.933792 (E_RNA) where: Base-Base interactions energy: -1651.270 where: short stacking energy: -675.879 Base-Backbone interact. energy: 4.911 local terms energy: -686.574723 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -127.979 flat angles C4'-P-C4' energy: -142.835 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -177.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2211.725242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.725242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.725242 (E_RNA) where: Base-Base interactions energy: -1506.156 where: short stacking energy: -640.817 Base-Backbone interact. energy: -0.568 local terms energy: -705.001774 where: bonds (distance) C4'-P energy: -150.320 bonds (distance) P-C4' energy: -139.510 flat angles C4'-P-C4' energy: -153.269 flat angles P-C4'-P energy: -92.410 tors. eta vs tors. theta energy: -169.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2010.144006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.144006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.144006 (E_RNA) where: Base-Base interactions energy: -1372.604 where: short stacking energy: -596.129 Base-Backbone interact. energy: -2.290 local terms energy: -635.250372 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -134.829 flat angles C4'-P-C4' energy: -138.765 flat angles P-C4'-P energy: -90.224 tors. eta vs tors. theta energy: -155.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1960.814780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.814780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.814780 (E_RNA) where: Base-Base interactions energy: -1313.191 where: short stacking energy: -577.537 Base-Backbone interact. energy: 0.846 local terms energy: -648.470025 where: bonds (distance) C4'-P energy: -119.803 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -156.837 flat angles P-C4'-P energy: -89.749 tors. eta vs tors. theta energy: -137.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1465.507914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.507914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.507914 (E_RNA) where: Base-Base interactions energy: -903.120 where: short stacking energy: -439.196 Base-Backbone interact. energy: 2.177 local terms energy: -564.565029 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -142.149 flat angles C4'-P-C4' energy: -133.925 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -98.335 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: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1164.176234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.176234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.176234 (E_RNA) where: Base-Base interactions energy: -717.158 where: short stacking energy: -332.845 Base-Backbone interact. energy: -4.318 local terms energy: -442.700608 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -118.120 flat angles C4'-P-C4' energy: -108.121 flat angles P-C4'-P energy: -59.363 tors. eta vs tors. theta energy: -50.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -763.103655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.103655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.103655 (E_RNA) where: Base-Base interactions energy: -334.983 where: short stacking energy: -230.656 Base-Backbone interact. energy: 2.062 local terms energy: -430.182584 where: bonds (distance) C4'-P energy: -102.777 bonds (distance) P-C4' energy: -137.063 flat angles C4'-P-C4' energy: -108.725 flat angles P-C4'-P energy: -72.547 tors. eta vs tors. theta energy: -9.070 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: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2735.695826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.695826 (E_RNA) where: Base-Base interactions energy: -1861.444 where: short stacking energy: -821.006 Base-Backbone interact. energy: -2.835 local terms energy: -871.416732 where: bonds (distance) C4'-P energy: -139.233 bonds (distance) P-C4' energy: -167.212 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -125.554 tors. eta vs tors. theta energy: -258.880 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: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2637.998814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.998814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.998814 (E_RNA) where: Base-Base interactions energy: -1845.441 where: short stacking energy: -772.086 Base-Backbone interact. energy: -0.123 local terms energy: -792.434802 where: bonds (distance) C4'-P energy: -147.457 bonds (distance) P-C4' energy: -139.503 flat angles C4'-P-C4' energy: -174.202 flat angles P-C4'-P energy: -118.475 tors. eta vs tors. theta energy: -212.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2493.106185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.106185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.106185 (E_RNA) where: Base-Base interactions energy: -1686.984 where: short stacking energy: -748.514 Base-Backbone interact. energy: -3.713 local terms energy: -802.408368 where: bonds (distance) C4'-P energy: -153.937 bonds (distance) P-C4' energy: -154.221 flat angles C4'-P-C4' energy: -182.109 flat angles P-C4'-P energy: -101.286 tors. eta vs tors. theta energy: -210.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2369.316224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.316224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.316224 (E_RNA) where: Base-Base interactions energy: -1625.829 where: short stacking energy: -665.264 Base-Backbone interact. energy: 3.090 local terms energy: -746.576402 where: bonds (distance) C4'-P energy: -137.024 bonds (distance) P-C4' energy: -138.914 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -119.543 tors. eta vs tors. theta energy: -178.650 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: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2199.871677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.871677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.871677 (E_RNA) where: Base-Base interactions energy: -1468.827 where: short stacking energy: -664.469 Base-Backbone interact. energy: -1.365 local terms energy: -729.679330 where: bonds (distance) C4'-P energy: -132.459 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -155.815 flat angles P-C4'-P energy: -105.263 tors. eta vs tors. theta energy: -193.631 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: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1993.116215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.116215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.116215 (E_RNA) where: Base-Base interactions energy: -1328.210 where: short stacking energy: -576.369 Base-Backbone interact. energy: -0.975 local terms energy: -663.930569 where: bonds (distance) C4'-P energy: -142.767 bonds (distance) P-C4' energy: -127.433 flat angles C4'-P-C4' energy: -154.838 flat angles P-C4'-P energy: -92.851 tors. eta vs tors. theta energy: -146.041 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: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1921.761782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.761782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.761782 (E_RNA) where: Base-Base interactions energy: -1281.353 where: short stacking energy: -534.214 Base-Backbone interact. energy: 4.397 local terms energy: -644.806002 where: bonds (distance) C4'-P energy: -139.653 bonds (distance) P-C4' energy: -139.840 flat angles C4'-P-C4' energy: -128.207 flat angles P-C4'-P energy: -97.543 tors. eta vs tors. theta energy: -139.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1469.045135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.045135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.045135 (E_RNA) where: Base-Base interactions energy: -918.491 where: short stacking energy: -462.674 Base-Backbone interact. energy: -2.648 local terms energy: -547.906215 where: bonds (distance) C4'-P energy: -111.759 bonds (distance) P-C4' energy: -123.901 flat angles C4'-P-C4' energy: -141.929 flat angles P-C4'-P energy: -72.852 tors. eta vs tors. theta energy: -97.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1214.280744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.280744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.280744 (E_RNA) where: Base-Base interactions energy: -724.639 where: short stacking energy: -347.109 Base-Backbone interact. energy: 1.246 local terms energy: -490.887527 where: bonds (distance) C4'-P energy: -133.893 bonds (distance) P-C4' energy: -134.793 flat angles C4'-P-C4' energy: -108.188 flat angles P-C4'-P energy: -70.670 tors. eta vs tors. theta energy: -43.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -765.897332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.897332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.897332 (E_RNA) where: Base-Base interactions energy: -365.794 where: short stacking energy: -224.154 Base-Backbone interact. energy: 0.370 local terms energy: -400.472817 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -147.954 flat angles C4'-P-C4' energy: -113.244 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -1.552 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: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2763.649942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.649942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.649942 (E_RNA) where: Base-Base interactions energy: -1878.176 where: short stacking energy: -841.327 Base-Backbone interact. energy: -3.267 local terms energy: -882.207692 where: bonds (distance) C4'-P energy: -159.629 bonds (distance) P-C4' energy: -159.663 flat angles C4'-P-C4' energy: -175.424 flat angles P-C4'-P energy: -118.220 tors. eta vs tors. theta energy: -269.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2605.771480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.771480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.771480 (E_RNA) where: Base-Base interactions energy: -1793.979 where: short stacking energy: -755.734 Base-Backbone interact. energy: -3.229 local terms energy: -808.563711 where: bonds (distance) C4'-P energy: -152.387 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -172.032 flat angles P-C4'-P energy: -117.278 tors. eta vs tors. theta energy: -217.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2445.539237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.539237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.539237 (E_RNA) where: Base-Base interactions energy: -1663.184 where: short stacking energy: -717.274 Base-Backbone interact. energy: -3.081 local terms energy: -779.273557 where: bonds (distance) C4'-P energy: -143.275 bonds (distance) P-C4' energy: -150.263 flat angles C4'-P-C4' energy: -170.010 flat angles P-C4'-P energy: -110.619 tors. eta vs tors. theta energy: -205.106 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2329.299576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.299576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.299576 (E_RNA) where: Base-Base interactions energy: -1596.446 where: short stacking energy: -659.209 Base-Backbone interact. energy: -3.556 local terms energy: -729.298016 where: bonds (distance) C4'-P energy: -151.694 bonds (distance) P-C4' energy: -143.151 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -170.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2143.016138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.016138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.016138 (E_RNA) where: Base-Base interactions energy: -1456.293 where: short stacking energy: -642.697 Base-Backbone interact. energy: 1.594 local terms energy: -688.317426 where: bonds (distance) C4'-P energy: -146.136 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -147.565 flat angles P-C4'-P energy: -85.229 tors. eta vs tors. theta energy: -173.495 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: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1963.937733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.937733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.937733 (E_RNA) where: Base-Base interactions energy: -1331.264 where: short stacking energy: -608.591 Base-Backbone interact. energy: -2.236 local terms energy: -630.437676 where: bonds (distance) C4'-P energy: -131.075 bonds (distance) P-C4' energy: -117.005 flat angles C4'-P-C4' energy: -150.442 flat angles P-C4'-P energy: -81.127 tors. eta vs tors. theta energy: -150.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1868.981637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.981637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.981637 (E_RNA) where: Base-Base interactions energy: -1239.981 where: short stacking energy: -545.064 Base-Backbone interact. energy: 1.012 local terms energy: -630.012591 where: bonds (distance) C4'-P energy: -127.324 bonds (distance) P-C4' energy: -141.452 flat angles C4'-P-C4' energy: -144.309 flat angles P-C4'-P energy: -95.750 tors. eta vs tors. theta energy: -121.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1416.883913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.883913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.883913 (E_RNA) where: Base-Base interactions energy: -851.950 where: short stacking energy: -402.790 Base-Backbone interact. energy: 1.841 local terms energy: -566.774808 where: bonds (distance) C4'-P energy: -114.706 bonds (distance) P-C4' energy: -152.093 flat angles C4'-P-C4' energy: -127.989 flat angles P-C4'-P energy: -92.514 tors. eta vs tors. theta energy: -79.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1176.160969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.160969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.160969 (E_RNA) where: Base-Base interactions energy: -716.540 where: short stacking energy: -328.914 Base-Backbone interact. energy: 0.491 local terms energy: -460.111391 where: bonds (distance) C4'-P energy: -131.751 bonds (distance) P-C4' energy: -130.225 flat angles C4'-P-C4' energy: -103.780 flat angles P-C4'-P energy: -82.283 tors. eta vs tors. theta energy: -12.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -731.602865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.602865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.602865 (E_RNA) where: Base-Base interactions energy: -375.524 where: short stacking energy: -206.674 Base-Backbone interact. energy: 3.776 local terms energy: -359.854876 where: bonds (distance) C4'-P energy: -109.401 bonds (distance) P-C4' energy: -125.511 flat angles C4'-P-C4' energy: -101.487 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: 25.494 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2724.681626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.681626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.681626 (E_RNA) where: Base-Base interactions energy: -1856.608 where: short stacking energy: -852.780 Base-Backbone interact. energy: -0.857 local terms energy: -867.216168 where: bonds (distance) C4'-P energy: -151.484 bonds (distance) P-C4' energy: -165.613 flat angles C4'-P-C4' energy: -171.044 flat angles P-C4'-P energy: -122.772 tors. eta vs tors. theta energy: -256.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2575.039622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.039622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.039622 (E_RNA) where: Base-Base interactions energy: -1794.399 where: short stacking energy: -738.054 Base-Backbone interact. energy: 1.797 local terms energy: -782.437728 where: bonds (distance) C4'-P energy: -155.748 bonds (distance) P-C4' energy: -134.928 flat angles C4'-P-C4' energy: -173.702 flat angles P-C4'-P energy: -110.628 tors. eta vs tors. theta energy: -207.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2494.136255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.136255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.136255 (E_RNA) where: Base-Base interactions energy: -1733.137 where: short stacking energy: -730.394 Base-Backbone interact. energy: -2.804 local terms energy: -758.195117 where: bonds (distance) C4'-P energy: -130.343 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -173.441 flat angles P-C4'-P energy: -104.705 tors. eta vs tors. theta energy: -201.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2345.108228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.108228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.108228 (E_RNA) where: Base-Base interactions energy: -1630.929 where: short stacking energy: -655.136 Base-Backbone interact. energy: 1.246 local terms energy: -715.425994 where: bonds (distance) C4'-P energy: -136.755 bonds (distance) P-C4' energy: -154.722 flat angles C4'-P-C4' energy: -147.651 flat angles P-C4'-P energy: -110.021 tors. eta vs tors. theta energy: -166.278 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: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2228.226471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.226471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.226471 (E_RNA) where: Base-Base interactions energy: -1529.777 where: short stacking energy: -676.171 Base-Backbone interact. energy: -1.252 local terms energy: -697.197743 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -91.611 tors. eta vs tors. theta energy: -188.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1993.806319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.806319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.806319 (E_RNA) where: Base-Base interactions energy: -1349.135 where: short stacking energy: -581.319 Base-Backbone interact. energy: -2.016 local terms energy: -642.655260 where: bonds (distance) C4'-P energy: -132.307 bonds (distance) P-C4' energy: -133.901 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -89.992 tors. eta vs tors. theta energy: -152.200 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: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1937.344637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.344637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.344637 (E_RNA) where: Base-Base interactions energy: -1303.126 where: short stacking energy: -600.026 Base-Backbone interact. energy: -5.154 local terms energy: -629.065034 where: bonds (distance) C4'-P energy: -119.658 bonds (distance) P-C4' energy: -136.217 flat angles C4'-P-C4' energy: -136.181 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -151.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1377.482869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.482869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.482869 (E_RNA) where: Base-Base interactions energy: -863.947 where: short stacking energy: -421.071 Base-Backbone interact. energy: -3.215 local terms energy: -510.320314 where: bonds (distance) C4'-P energy: -111.256 bonds (distance) P-C4' energy: -139.040 flat angles C4'-P-C4' energy: -124.342 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -75.993 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: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1287.862957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.862957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.862957 (E_RNA) where: Base-Base interactions energy: -790.336 where: short stacking energy: -383.503 Base-Backbone interact. energy: 3.800 local terms energy: -501.326402 where: bonds (distance) C4'-P energy: -135.600 bonds (distance) P-C4' energy: -118.821 flat angles C4'-P-C4' energy: -118.192 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: -57.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -725.431910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.431910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.431910 (E_RNA) where: Base-Base interactions energy: -311.368 where: short stacking energy: -190.162 Base-Backbone interact. energy: 0.487 local terms energy: -414.550299 where: bonds (distance) C4'-P energy: -125.683 bonds (distance) P-C4' energy: -134.997 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -67.561 tors. eta vs tors. theta energy: 27.539 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: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2760.497402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.497402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.497402 (E_RNA) where: Base-Base interactions energy: -1897.248 where: short stacking energy: -851.668 Base-Backbone interact. energy: 0.318 local terms energy: -863.567034 where: bonds (distance) C4'-P energy: -150.405 bonds (distance) P-C4' energy: -147.001 flat angles C4'-P-C4' energy: -183.117 flat angles P-C4'-P energy: -124.488 tors. eta vs tors. theta energy: -258.557 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: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2598.030280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.030280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.030280 (E_RNA) where: Base-Base interactions energy: -1811.745 where: short stacking energy: -750.668 Base-Backbone interact. energy: -3.517 local terms energy: -782.768258 where: bonds (distance) C4'-P energy: -138.906 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -172.872 flat angles P-C4'-P energy: -107.140 tors. eta vs tors. theta energy: -210.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2448.064593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.064593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.064593 (E_RNA) where: Base-Base interactions energy: -1669.242 where: short stacking energy: -706.930 Base-Backbone interact. energy: -2.644 local terms energy: -776.177758 where: bonds (distance) C4'-P energy: -144.936 bonds (distance) P-C4' energy: -149.376 flat angles C4'-P-C4' energy: -164.453 flat angles P-C4'-P energy: -121.144 tors. eta vs tors. theta energy: -196.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2320.645637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.645637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.645637 (E_RNA) where: Base-Base interactions energy: -1623.099 where: short stacking energy: -663.148 Base-Backbone interact. energy: -0.139 local terms energy: -697.407565 where: bonds (distance) C4'-P energy: -138.605 bonds (distance) P-C4' energy: -132.919 flat angles C4'-P-C4' energy: -162.100 flat angles P-C4'-P energy: -105.218 tors. eta vs tors. theta energy: -158.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2223.202726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.202726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.202726 (E_RNA) where: Base-Base interactions energy: -1491.601 where: short stacking energy: -657.000 Base-Backbone interact. energy: -1.219 local terms energy: -730.382117 where: bonds (distance) C4'-P energy: -136.585 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -150.915 flat angles P-C4'-P energy: -98.845 tors. eta vs tors. theta energy: -202.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2049.860253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.860253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.860253 (E_RNA) where: Base-Base interactions energy: -1384.409 where: short stacking energy: -602.179 Base-Backbone interact. energy: 2.194 local terms energy: -667.645281 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -120.427 flat angles C4'-P-C4' energy: -153.384 flat angles P-C4'-P energy: -101.756 tors. eta vs tors. theta energy: -157.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1887.477292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.477292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.477292 (E_RNA) where: Base-Base interactions energy: -1264.057 where: short stacking energy: -536.623 Base-Backbone interact. energy: -2.401 local terms energy: -621.019245 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -124.448 flat angles C4'-P-C4' energy: -144.215 flat angles P-C4'-P energy: -103.757 tors. eta vs tors. theta energy: -124.101 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1403.778140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.778140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.778140 (E_RNA) where: Base-Base interactions energy: -917.431 where: short stacking energy: -425.666 Base-Backbone interact. energy: 2.893 local terms energy: -489.239888 where: bonds (distance) C4'-P energy: -95.372 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -129.870 flat angles P-C4'-P energy: -66.435 tors. eta vs tors. theta energy: -67.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1199.849955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.849955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.849955 (E_RNA) where: Base-Base interactions energy: -727.605 where: short stacking energy: -342.772 Base-Backbone interact. energy: -5.485 local terms energy: -466.759396 where: bonds (distance) C4'-P energy: -126.302 bonds (distance) P-C4' energy: -136.353 flat angles C4'-P-C4' energy: -108.425 flat angles P-C4'-P energy: -67.424 tors. eta vs tors. theta energy: -28.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -758.977860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.977860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.977860 (E_RNA) where: Base-Base interactions energy: -343.198 where: short stacking energy: -201.993 Base-Backbone interact. energy: 3.183 local terms energy: -418.962529 where: bonds (distance) C4'-P energy: -127.728 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -111.860 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: 20.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2736.213205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.213205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.213205 (E_RNA) where: Base-Base interactions energy: -1860.773 where: short stacking energy: -856.791 Base-Backbone interact. energy: -3.698 local terms energy: -871.742051 where: bonds (distance) C4'-P energy: -156.179 bonds (distance) P-C4' energy: -157.190 flat angles C4'-P-C4' energy: -181.228 flat angles P-C4'-P energy: -116.040 tors. eta vs tors. theta energy: -261.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2620.386032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.386032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.386032 (E_RNA) where: Base-Base interactions energy: -1830.998 where: short stacking energy: -724.771 Base-Backbone interact. energy: -1.403 local terms energy: -787.985136 where: bonds (distance) C4'-P energy: -168.641 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -167.472 flat angles P-C4'-P energy: -102.340 tors. eta vs tors. theta energy: -201.878 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: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2451.406318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.406318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.406318 (E_RNA) where: Base-Base interactions energy: -1659.783 where: short stacking energy: -722.819 Base-Backbone interact. energy: -4.133 local terms energy: -787.490111 where: bonds (distance) C4'-P energy: -141.459 bonds (distance) P-C4' energy: -148.686 flat angles C4'-P-C4' energy: -169.821 flat angles P-C4'-P energy: -116.215 tors. eta vs tors. theta energy: -211.309 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: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2276.286510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.286510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.286510 (E_RNA) where: Base-Base interactions energy: -1579.910 where: short stacking energy: -636.096 Base-Backbone interact. energy: -3.179 local terms energy: -693.197134 where: bonds (distance) C4'-P energy: -143.199 bonds (distance) P-C4' energy: -135.163 flat angles C4'-P-C4' energy: -159.817 flat angles P-C4'-P energy: -103.725 tors. eta vs tors. theta energy: -151.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2124.894254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.894254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.894254 (E_RNA) where: Base-Base interactions energy: -1452.406 where: short stacking energy: -646.834 Base-Backbone interact. energy: -1.547 local terms energy: -670.941121 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -147.782 flat angles P-C4'-P energy: -100.087 tors. eta vs tors. theta energy: -167.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2112.561688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.561688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.561688 (E_RNA) where: Base-Base interactions energy: -1422.918 where: short stacking energy: -613.323 Base-Backbone interact. energy: -0.095 local terms energy: -689.548534 where: bonds (distance) C4'-P energy: -137.298 bonds (distance) P-C4' energy: -144.511 flat angles C4'-P-C4' energy: -145.969 flat angles P-C4'-P energy: -91.145 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: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1895.456460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.456460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.456460 (E_RNA) where: Base-Base interactions energy: -1274.692 where: short stacking energy: -532.572 Base-Backbone interact. energy: 7.273 local terms energy: -628.036927 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -149.271 flat angles C4'-P-C4' energy: -135.505 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -131.835 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1414.330492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.330492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.330492 (E_RNA) where: Base-Base interactions energy: -895.988 where: short stacking energy: -411.462 Base-Backbone interact. energy: -2.605 local terms energy: -515.738162 where: bonds (distance) C4'-P energy: -112.695 bonds (distance) P-C4' energy: -124.961 flat angles C4'-P-C4' energy: -136.564 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -67.424 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: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1284.502077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.502077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.502077 (E_RNA) where: Base-Base interactions energy: -773.559 where: short stacking energy: -361.883 Base-Backbone interact. energy: -0.048 local terms energy: -510.894243 where: bonds (distance) C4'-P energy: -136.833 bonds (distance) P-C4' energy: -133.038 flat angles C4'-P-C4' energy: -105.982 flat angles P-C4'-P energy: -71.893 tors. eta vs tors. theta energy: -63.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -740.296459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.296459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.296459 (E_RNA) where: Base-Base interactions energy: -328.789 where: short stacking energy: -211.945 Base-Backbone interact. energy: -1.892 local terms energy: -409.615937 where: bonds (distance) C4'-P energy: -109.171 bonds (distance) P-C4' energy: -127.554 flat angles C4'-P-C4' energy: -125.715 flat angles P-C4'-P energy: -69.892 tors. eta vs tors. theta energy: 22.716 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2730.459125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.459125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.459125 (E_RNA) where: Base-Base interactions energy: -1852.440 where: short stacking energy: -825.458 Base-Backbone interact. energy: 0.415 local terms energy: -878.434298 where: bonds (distance) C4'-P energy: -157.181 bonds (distance) P-C4' energy: -157.342 flat angles C4'-P-C4' energy: -183.963 flat angles P-C4'-P energy: -127.258 tors. eta vs tors. theta energy: -252.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2600.269318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.269318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.269318 (E_RNA) where: Base-Base interactions energy: -1801.842 where: short stacking energy: -730.695 Base-Backbone interact. energy: -1.118 local terms energy: -797.309098 where: bonds (distance) C4'-P energy: -135.576 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -179.566 flat angles P-C4'-P energy: -130.666 tors. eta vs tors. theta energy: -200.989 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2485.330642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.330642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.330642 (E_RNA) where: Base-Base interactions energy: -1706.718 where: short stacking energy: -733.670 Base-Backbone interact. energy: -3.264 local terms energy: -775.347978 where: bonds (distance) C4'-P energy: -134.433 bonds (distance) P-C4' energy: -138.552 flat angles C4'-P-C4' energy: -168.393 flat angles P-C4'-P energy: -119.658 tors. eta vs tors. theta energy: -214.312 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: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2309.995812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.995812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.995812 (E_RNA) where: Base-Base interactions energy: -1592.963 where: short stacking energy: -667.453 Base-Backbone interact. energy: 2.076 local terms energy: -719.108904 where: bonds (distance) C4'-P energy: -135.051 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -176.185 flat angles P-C4'-P energy: -93.447 tors. eta vs tors. theta energy: -169.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2133.323705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.323705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.323705 (E_RNA) where: Base-Base interactions energy: -1436.219 where: short stacking energy: -608.676 Base-Backbone interact. energy: -5.108 local terms energy: -691.996179 where: bonds (distance) C4'-P energy: -135.505 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -147.189 flat angles P-C4'-P energy: -108.106 tors. eta vs tors. theta energy: -165.867 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: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2066.011134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.011134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.011134 (E_RNA) where: Base-Base interactions energy: -1377.057 where: short stacking energy: -636.571 Base-Backbone interact. energy: -1.259 local terms energy: -687.694891 where: bonds (distance) C4'-P energy: -136.229 bonds (distance) P-C4' energy: -116.665 flat angles C4'-P-C4' energy: -161.251 flat angles P-C4'-P energy: -106.876 tors. eta vs tors. theta energy: -166.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1853.889789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.889789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.889789 (E_RNA) where: Base-Base interactions energy: -1243.508 where: short stacking energy: -518.710 Base-Backbone interact. energy: 7.636 local terms energy: -618.017527 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -90.481 tors. eta vs tors. theta energy: -114.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1404.032525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.032525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.032525 (E_RNA) where: Base-Base interactions energy: -858.442 where: short stacking energy: -399.047 Base-Backbone interact. energy: 2.843 local terms energy: -548.432838 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -129.792 flat angles C4'-P-C4' energy: -125.848 flat angles P-C4'-P energy: -92.096 tors. eta vs tors. theta energy: -67.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1328.445072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.445072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.445072 (E_RNA) where: Base-Base interactions energy: -834.307 where: short stacking energy: -396.600 Base-Backbone interact. energy: 0.737 local terms energy: -494.875085 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -132.913 flat angles C4'-P-C4' energy: -119.459 flat angles P-C4'-P energy: -59.364 tors. eta vs tors. theta energy: -65.554 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -720.139692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.139692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.139692 (E_RNA) where: Base-Base interactions energy: -329.087 where: short stacking energy: -206.182 Base-Backbone interact. energy: 1.094 local terms energy: -392.146718 where: bonds (distance) C4'-P energy: -111.040 bonds (distance) P-C4' energy: -124.899 flat angles C4'-P-C4' energy: -112.809 flat angles P-C4'-P energy: -61.359 tors. eta vs tors. theta energy: 17.961 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2745.183930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.183930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.183930 (E_RNA) where: Base-Base interactions energy: -1889.506 where: short stacking energy: -845.349 Base-Backbone interact. energy: -0.311 local terms energy: -855.367756 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -153.998 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -125.310 tors. eta vs tors. theta energy: -267.494 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: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2618.652487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.652487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.652487 (E_RNA) where: Base-Base interactions energy: -1804.868 where: short stacking energy: -739.607 Base-Backbone interact. energy: -5.048 local terms energy: -808.736481 where: bonds (distance) C4'-P energy: -163.126 bonds (distance) P-C4' energy: -148.945 flat angles C4'-P-C4' energy: -179.172 flat angles P-C4'-P energy: -113.471 tors. eta vs tors. theta energy: -204.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2477.541495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.541495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.541495 (E_RNA) where: Base-Base interactions energy: -1701.470 where: short stacking energy: -711.646 Base-Backbone interact. energy: -2.442 local terms energy: -773.629560 where: bonds (distance) C4'-P energy: -152.653 bonds (distance) P-C4' energy: -150.542 flat angles C4'-P-C4' energy: -175.074 flat angles P-C4'-P energy: -93.528 tors. eta vs tors. theta energy: -201.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2342.054391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.054391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.054391 (E_RNA) where: Base-Base interactions energy: -1602.454 where: short stacking energy: -669.841 Base-Backbone interact. energy: -5.649 local terms energy: -733.951304 where: bonds (distance) C4'-P energy: -140.943 bonds (distance) P-C4' energy: -146.152 flat angles C4'-P-C4' energy: -163.801 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -177.492 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2110.977630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.977630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.977630 (E_RNA) where: Base-Base interactions energy: -1393.986 where: short stacking energy: -595.894 Base-Backbone interact. energy: -0.140 local terms energy: -716.850894 where: bonds (distance) C4'-P energy: -138.060 bonds (distance) P-C4' energy: -162.028 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -95.844 tors. eta vs tors. theta energy: -164.365 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: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1978.646344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.646344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.646344 (E_RNA) where: Base-Base interactions energy: -1295.357 where: short stacking energy: -574.187 Base-Backbone interact. energy: -0.151 local terms energy: -683.138763 where: bonds (distance) C4'-P energy: -145.374 bonds (distance) P-C4' energy: -146.019 flat angles C4'-P-C4' energy: -145.805 flat angles P-C4'-P energy: -97.630 tors. eta vs tors. theta energy: -148.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1926.199525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.199525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.199525 (E_RNA) where: Base-Base interactions energy: -1267.959 where: short stacking energy: -548.470 Base-Backbone interact. energy: -4.006 local terms energy: -654.234614 where: bonds (distance) C4'-P energy: -145.493 bonds (distance) P-C4' energy: -129.869 flat angles C4'-P-C4' energy: -155.074 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -137.134 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: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1334.540234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.540234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.540234 (E_RNA) where: Base-Base interactions energy: -795.588 where: short stacking energy: -361.794 Base-Backbone interact. energy: 0.883 local terms energy: -539.834512 where: bonds (distance) C4'-P energy: -125.438 bonds (distance) P-C4' energy: -139.960 flat angles C4'-P-C4' energy: -122.622 flat angles P-C4'-P energy: -79.109 tors. eta vs tors. theta energy: -72.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1289.774946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.774946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.774946 (E_RNA) where: Base-Base interactions energy: -782.985 where: short stacking energy: -385.961 Base-Backbone interact. energy: -0.377 local terms energy: -506.413046 where: bonds (distance) C4'-P energy: -117.442 bonds (distance) P-C4' energy: -121.055 flat angles C4'-P-C4' energy: -125.545 flat angles P-C4'-P energy: -81.663 tors. eta vs tors. theta energy: -60.708 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: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -736.054831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.054831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.054831 (E_RNA) where: Base-Base interactions energy: -358.071 where: short stacking energy: -228.475 Base-Backbone interact. energy: 3.154 local terms energy: -381.138641 where: bonds (distance) C4'-P energy: -122.316 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -58.270 tors. eta vs tors. theta energy: 19.173 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: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2769.711120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.711120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.711120 (E_RNA) where: Base-Base interactions energy: -1874.437 where: short stacking energy: -849.510 Base-Backbone interact. energy: 0.647 local terms energy: -895.920608 where: bonds (distance) C4'-P energy: -166.177 bonds (distance) P-C4' energy: -159.533 flat angles C4'-P-C4' energy: -186.825 flat angles P-C4'-P energy: -116.158 tors. eta vs tors. theta energy: -267.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2620.119215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.119215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.119215 (E_RNA) where: Base-Base interactions energy: -1839.909 where: short stacking energy: -767.050 Base-Backbone interact. energy: -1.442 local terms energy: -778.768454 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -142.932 flat angles C4'-P-C4' energy: -190.967 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -205.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2502.869501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.869501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.869501 (E_RNA) where: Base-Base interactions energy: -1734.619 where: short stacking energy: -736.198 Base-Backbone interact. energy: -1.996 local terms energy: -766.254988 where: bonds (distance) C4'-P energy: -139.704 bonds (distance) P-C4' energy: -153.309 flat angles C4'-P-C4' energy: -161.133 flat angles P-C4'-P energy: -113.995 tors. eta vs tors. theta energy: -198.113 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: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2366.067768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.067768 (E_RNA) where: Base-Base interactions energy: -1632.560 where: short stacking energy: -687.664 Base-Backbone interact. energy: -1.901 local terms energy: -731.607572 where: bonds (distance) C4'-P energy: -142.170 bonds (distance) P-C4' energy: -133.573 flat angles C4'-P-C4' energy: -172.359 flat angles P-C4'-P energy: -104.158 tors. eta vs tors. theta energy: -179.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2180.455192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.455192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.455192 (E_RNA) where: Base-Base interactions energy: -1483.010 where: short stacking energy: -623.131 Base-Backbone interact. energy: 0.477 local terms energy: -697.922761 where: bonds (distance) C4'-P energy: -141.848 bonds (distance) P-C4' energy: -128.763 flat angles C4'-P-C4' energy: -161.559 flat angles P-C4'-P energy: -98.723 tors. eta vs tors. theta energy: -167.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1998.672098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.672098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.672098 (E_RNA) where: Base-Base interactions energy: -1358.228 where: short stacking energy: -582.510 Base-Backbone interact. energy: -3.319 local terms energy: -637.125417 where: bonds (distance) C4'-P energy: -122.787 bonds (distance) P-C4' energy: -139.616 flat angles C4'-P-C4' energy: -146.745 flat angles P-C4'-P energy: -86.525 tors. eta vs tors. theta energy: -141.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1858.031848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.031848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.031848 (E_RNA) where: Base-Base interactions energy: -1227.990 where: short stacking energy: -558.171 Base-Backbone interact. energy: 1.556 local terms energy: -631.598030 where: bonds (distance) C4'-P energy: -131.061 bonds (distance) P-C4' energy: -121.639 flat angles C4'-P-C4' energy: -127.259 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -154.130 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: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1386.537001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.537001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.537001 (E_RNA) where: Base-Base interactions energy: -894.437 where: short stacking energy: -436.629 Base-Backbone interact. energy: 0.981 local terms energy: -493.081434 where: bonds (distance) C4'-P energy: -116.835 bonds (distance) P-C4' energy: -98.267 flat angles C4'-P-C4' energy: -117.625 flat angles P-C4'-P energy: -73.843 tors. eta vs tors. theta energy: -86.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1237.621892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.621892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.621892 (E_RNA) where: Base-Base interactions energy: -768.456 where: short stacking energy: -348.692 Base-Backbone interact. energy: -2.408 local terms energy: -466.757214 where: bonds (distance) C4'-P energy: -113.570 bonds (distance) P-C4' energy: -133.076 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -50.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -770.534452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.534452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.534452 (E_RNA) where: Base-Base interactions energy: -356.175 where: short stacking energy: -234.435 Base-Backbone interact. energy: -3.700 local terms energy: -410.659119 where: bonds (distance) C4'-P energy: -109.953 bonds (distance) P-C4' energy: -135.262 flat angles C4'-P-C4' energy: -94.296 flat angles P-C4'-P energy: -66.814 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2772.129102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.129102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.129102 (E_RNA) where: Base-Base interactions energy: -1881.765 where: short stacking energy: -852.049 Base-Backbone interact. energy: -0.626 local terms energy: -889.737972 where: bonds (distance) C4'-P energy: -148.437 bonds (distance) P-C4' energy: -160.304 flat angles C4'-P-C4' energy: -190.736 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -264.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2609.359312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.359312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.359312 (E_RNA) where: Base-Base interactions energy: -1787.079 where: short stacking energy: -764.400 Base-Backbone interact. energy: 0.765 local terms energy: -823.045006 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -170.341 flat angles C4'-P-C4' energy: -175.864 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -212.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2445.034282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.034282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.034282 (E_RNA) where: Base-Base interactions energy: -1668.989 where: short stacking energy: -720.746 Base-Backbone interact. energy: -3.603 local terms energy: -772.442931 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -140.779 flat angles C4'-P-C4' energy: -165.712 flat angles P-C4'-P energy: -112.647 tors. eta vs tors. theta energy: -207.604 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: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2313.262257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.262257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.262257 (E_RNA) where: Base-Base interactions energy: -1575.332 where: short stacking energy: -656.378 Base-Backbone interact. energy: -4.555 local terms energy: -733.375628 where: bonds (distance) C4'-P energy: -153.793 bonds (distance) P-C4' energy: -154.909 flat angles C4'-P-C4' energy: -149.602 flat angles P-C4'-P energy: -103.812 tors. eta vs tors. theta energy: -171.260 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: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2172.560157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.560157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.560157 (E_RNA) where: Base-Base interactions energy: -1459.687 where: short stacking energy: -690.216 Base-Backbone interact. energy: 2.301 local terms energy: -715.174686 where: bonds (distance) C4'-P energy: -138.144 bonds (distance) P-C4' energy: -138.302 flat angles C4'-P-C4' energy: -165.447 flat angles P-C4'-P energy: -83.654 tors. eta vs tors. theta energy: -189.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2038.628816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.628816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.628816 (E_RNA) where: Base-Base interactions energy: -1389.538 where: short stacking energy: -581.815 Base-Backbone interact. energy: 0.223 local terms energy: -649.313907 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -120.503 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -94.466 tors. eta vs tors. theta energy: -157.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1861.369609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.369609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.369609 (E_RNA) where: Base-Base interactions energy: -1235.334 where: short stacking energy: -578.731 Base-Backbone interact. energy: -0.145 local terms energy: -625.890516 where: bonds (distance) C4'-P energy: -114.766 bonds (distance) P-C4' energy: -137.549 flat angles C4'-P-C4' energy: -133.726 flat angles P-C4'-P energy: -104.455 tors. eta vs tors. theta energy: -135.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1373.281015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.281015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.281015 (E_RNA) where: Base-Base interactions energy: -851.693 where: short stacking energy: -383.925 Base-Backbone interact. energy: -3.456 local terms energy: -518.131794 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -130.733 flat angles C4'-P-C4' energy: -124.997 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -58.131 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: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1193.033732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.033732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.033732 (E_RNA) where: Base-Base interactions energy: -730.608 where: short stacking energy: -320.127 Base-Backbone interact. energy: 0.299 local terms energy: -462.724467 where: bonds (distance) C4'-P energy: -118.738 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -114.251 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -29.943 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: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -737.392429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.392429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.392429 (E_RNA) where: Base-Base interactions energy: -300.872 where: short stacking energy: -187.662 Base-Backbone interact. energy: -0.894 local terms energy: -435.626455 where: bonds (distance) C4'-P energy: -134.783 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -111.360 flat angles P-C4'-P energy: -58.080 tors. eta vs tors. theta energy: 2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2756.908829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.908829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.908829 (E_RNA) where: Base-Base interactions energy: -1876.964 where: short stacking energy: -847.309 Base-Backbone interact. energy: -2.119 local terms energy: -877.825021 where: bonds (distance) C4'-P energy: -149.865 bonds (distance) P-C4' energy: -151.476 flat angles C4'-P-C4' energy: -178.954 flat angles P-C4'-P energy: -139.785 tors. eta vs tors. theta energy: -257.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2603.350990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.350990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.350990 (E_RNA) where: Base-Base interactions energy: -1817.717 where: short stacking energy: -752.790 Base-Backbone interact. energy: -0.119 local terms energy: -785.515037 where: bonds (distance) C4'-P energy: -157.543 bonds (distance) P-C4' energy: -131.408 flat angles C4'-P-C4' energy: -178.981 flat angles P-C4'-P energy: -106.550 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: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2448.859265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.859265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.859265 (E_RNA) where: Base-Base interactions energy: -1730.806 where: short stacking energy: -718.198 Base-Backbone interact. energy: -0.625 local terms energy: -717.427413 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -128.213 flat angles C4'-P-C4' energy: -161.800 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -187.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2374.559221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.559221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.559221 (E_RNA) where: Base-Base interactions energy: -1642.093 where: short stacking energy: -686.791 Base-Backbone interact. energy: -0.183 local terms energy: -732.283235 where: bonds (distance) C4'-P energy: -140.684 bonds (distance) P-C4' energy: -153.892 flat angles C4'-P-C4' energy: -153.751 flat angles P-C4'-P energy: -95.283 tors. eta vs tors. theta energy: -188.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2136.245183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.245183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.245183 (E_RNA) where: Base-Base interactions energy: -1423.477 where: short stacking energy: -608.733 Base-Backbone interact. energy: -1.840 local terms energy: -710.928386 where: bonds (distance) C4'-P energy: -158.970 bonds (distance) P-C4' energy: -138.132 flat angles C4'-P-C4' energy: -157.343 flat angles P-C4'-P energy: -94.139 tors. eta vs tors. theta energy: -162.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2097.411694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.411694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.411694 (E_RNA) where: Base-Base interactions energy: -1458.372 where: short stacking energy: -626.892 Base-Backbone interact. energy: 2.032 local terms energy: -641.071909 where: bonds (distance) C4'-P energy: -124.278 bonds (distance) P-C4' energy: -128.661 flat angles C4'-P-C4' energy: -129.753 flat angles P-C4'-P energy: -91.160 tors. eta vs tors. theta energy: -167.219 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: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1786.520479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.520479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.520479 (E_RNA) where: Base-Base interactions energy: -1183.679 where: short stacking energy: -540.474 Base-Backbone interact. energy: -2.420 local terms energy: -600.421512 where: bonds (distance) C4'-P energy: -123.356 bonds (distance) P-C4' energy: -128.626 flat angles C4'-P-C4' energy: -134.859 flat angles P-C4'-P energy: -104.866 tors. eta vs tors. theta energy: -108.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1410.517413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.517413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.517413 (E_RNA) where: Base-Base interactions energy: -884.980 where: short stacking energy: -402.753 Base-Backbone interact. energy: -1.462 local terms energy: -524.074790 where: bonds (distance) C4'-P energy: -130.917 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -122.822 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -64.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1286.170530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.170530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.170530 (E_RNA) where: Base-Base interactions energy: -767.130 where: short stacking energy: -376.901 Base-Backbone interact. energy: -2.397 local terms energy: -516.643583 where: bonds (distance) C4'-P energy: -132.379 bonds (distance) P-C4' energy: -131.916 flat angles C4'-P-C4' energy: -130.703 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -54.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -744.187299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.187299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.187299 (E_RNA) where: Base-Base interactions energy: -312.473 where: short stacking energy: -212.497 Base-Backbone interact. energy: -0.166 local terms energy: -431.548359 where: bonds (distance) C4'-P energy: -121.352 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -114.442 flat angles P-C4'-P energy: -71.015 tors. eta vs tors. theta energy: 8.013 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: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2713.013539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.013539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.013539 (E_RNA) where: Base-Base interactions energy: -1856.488 where: short stacking energy: -839.317 Base-Backbone interact. energy: -2.439 local terms energy: -854.086520 where: bonds (distance) C4'-P energy: -132.931 bonds (distance) P-C4' energy: -159.311 flat angles C4'-P-C4' energy: -184.645 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -250.506 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: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2587.127479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.127479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.127479 (E_RNA) where: Base-Base interactions energy: -1804.894 where: short stacking energy: -723.923 Base-Backbone interact. energy: 5.140 local terms energy: -787.374008 where: bonds (distance) C4'-P energy: -158.855 bonds (distance) P-C4' energy: -153.200 flat angles C4'-P-C4' energy: -168.852 flat angles P-C4'-P energy: -103.665 tors. eta vs tors. theta energy: -202.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2477.356400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.356400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.356400 (E_RNA) where: Base-Base interactions energy: -1703.243 where: short stacking energy: -718.094 Base-Backbone interact. energy: -3.623 local terms energy: -770.490595 where: bonds (distance) C4'-P energy: -136.829 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -164.709 flat angles P-C4'-P energy: -118.070 tors. eta vs tors. theta energy: -196.687 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: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2380.975130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.975130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.975130 (E_RNA) where: Base-Base interactions energy: -1666.841 where: short stacking energy: -671.451 Base-Backbone interact. energy: -2.633 local terms energy: -711.501531 where: bonds (distance) C4'-P energy: -127.915 bonds (distance) P-C4' energy: -144.336 flat angles C4'-P-C4' energy: -155.815 flat angles P-C4'-P energy: -104.439 tors. eta vs tors. theta energy: -178.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2130.934710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.934710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.934710 (E_RNA) where: Base-Base interactions energy: -1439.834 where: short stacking energy: -638.839 Base-Backbone interact. energy: 0.295 local terms energy: -691.395844 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -122.092 flat angles C4'-P-C4' energy: -166.033 flat angles P-C4'-P energy: -97.037 tors. eta vs tors. theta energy: -173.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2080.507886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.507886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.507886 (E_RNA) where: Base-Base interactions energy: -1365.252 where: short stacking energy: -601.744 Base-Backbone interact. energy: -4.858 local terms energy: -710.398647 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -138.207 flat angles C4'-P-C4' energy: -152.939 flat angles P-C4'-P energy: -104.351 tors. eta vs tors. theta energy: -174.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1843.695900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.695900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.695900 (E_RNA) where: Base-Base interactions energy: -1209.328 where: short stacking energy: -547.841 Base-Backbone interact. energy: -3.119 local terms energy: -631.248752 where: bonds (distance) C4'-P energy: -119.690 bonds (distance) P-C4' energy: -144.424 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -97.066 tors. eta vs tors. theta energy: -135.194 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: 388 Temperature: 1.250000 Total energy: -1403.710616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.710616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.710616 (E_RNA) where: Base-Base interactions energy: -883.842 where: short stacking energy: -401.799 Base-Backbone interact. energy: 4.403 local terms energy: -524.271542 where: bonds (distance) C4'-P energy: -117.298 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -130.354 flat angles P-C4'-P energy: -82.139 tors. eta vs tors. theta energy: -66.272 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: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1315.733269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.733269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.733269 (E_RNA) where: Base-Base interactions energy: -796.636 where: short stacking energy: -356.833 Base-Backbone interact. energy: -4.749 local terms energy: -514.348568 where: bonds (distance) C4'-P energy: -119.413 bonds (distance) P-C4' energy: -127.452 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -86.821 tors. eta vs tors. theta energy: -53.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -751.769021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.769021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.769021 (E_RNA) where: Base-Base interactions energy: -335.630 where: short stacking energy: -225.750 Base-Backbone interact. energy: 1.269 local terms energy: -417.407955 where: bonds (distance) C4'-P energy: -104.863 bonds (distance) P-C4' energy: -139.504 flat angles C4'-P-C4' energy: -115.473 flat angles P-C4'-P energy: -69.593 tors. eta vs tors. theta energy: 12.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2743.970810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.970810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.970810 (E_RNA) where: Base-Base interactions energy: -1871.103 where: short stacking energy: -844.407 Base-Backbone interact. energy: -3.587 local terms energy: -869.281543 where: bonds (distance) C4'-P energy: -153.599 bonds (distance) P-C4' energy: -153.123 flat angles C4'-P-C4' energy: -181.974 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -260.349 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: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2621.106792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.106792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.106792 (E_RNA) where: Base-Base interactions energy: -1823.591 where: short stacking energy: -734.717 Base-Backbone interact. energy: -4.995 local terms energy: -792.520378 where: bonds (distance) C4'-P energy: -152.994 bonds (distance) P-C4' energy: -155.631 flat angles C4'-P-C4' energy: -165.472 flat angles P-C4'-P energy: -107.440 tors. eta vs tors. theta energy: -210.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2507.786738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.786738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.786738 (E_RNA) where: Base-Base interactions energy: -1745.733 where: short stacking energy: -732.265 Base-Backbone interact. energy: -2.495 local terms energy: -759.558713 where: bonds (distance) C4'-P energy: -146.087 bonds (distance) P-C4' energy: -137.934 flat angles C4'-P-C4' energy: -174.284 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -198.329 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: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2391.385434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.385434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.385434 (E_RNA) where: Base-Base interactions energy: -1652.318 where: short stacking energy: -683.711 Base-Backbone interact. energy: -3.580 local terms energy: -735.486676 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -131.577 flat angles C4'-P-C4' energy: -163.632 flat angles P-C4'-P energy: -127.844 tors. eta vs tors. theta energy: -185.729 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2159.381726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.381726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.381726 (E_RNA) where: Base-Base interactions energy: -1446.660 where: short stacking energy: -639.475 Base-Backbone interact. energy: -1.065 local terms energy: -711.656590 where: bonds (distance) C4'-P energy: -139.767 bonds (distance) P-C4' energy: -139.310 flat angles C4'-P-C4' energy: -138.762 flat angles P-C4'-P energy: -104.765 tors. eta vs tors. theta energy: -189.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2046.280402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.280402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.280402 (E_RNA) where: Base-Base interactions energy: -1406.103 where: short stacking energy: -591.644 Base-Backbone interact. energy: -1.562 local terms energy: -638.615065 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -129.354 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -92.164 tors. eta vs tors. theta energy: -145.244 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: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1830.493734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.493734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.493734 (E_RNA) where: Base-Base interactions energy: -1211.992 where: short stacking energy: -549.424 Base-Backbone interact. energy: -1.008 local terms energy: -617.493453 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -143.627 flat angles C4'-P-C4' energy: -133.199 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -143.383 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: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1439.040861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.040861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.040861 (E_RNA) where: Base-Base interactions energy: -875.268 where: short stacking energy: -426.260 Base-Backbone interact. energy: -1.119 local terms energy: -562.653836 where: bonds (distance) C4'-P energy: -142.095 bonds (distance) P-C4' energy: -134.463 flat angles C4'-P-C4' energy: -120.833 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: -94.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1250.410274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.410274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.410274 (E_RNA) where: Base-Base interactions energy: -753.757 where: short stacking energy: -337.959 Base-Backbone interact. energy: -0.958 local terms energy: -495.695384 where: bonds (distance) C4'-P energy: -119.720 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -111.199 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -54.341 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: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -692.416749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.416749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.416749 (E_RNA) where: Base-Base interactions energy: -287.624 where: short stacking energy: -203.124 Base-Backbone interact. energy: 1.730 local terms energy: -406.522841 where: bonds (distance) C4'-P energy: -99.383 bonds (distance) P-C4' energy: -131.682 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: 25.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2644.774465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.774465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.774465 (E_RNA) where: Base-Base interactions energy: -1843.958 where: short stacking energy: -738.673 Base-Backbone interact. energy: -1.334 local terms energy: -799.482587 where: bonds (distance) C4'-P energy: -153.514 bonds (distance) P-C4' energy: -146.725 flat angles C4'-P-C4' energy: -174.830 flat angles P-C4'-P energy: -118.996 tors. eta vs tors. theta energy: -205.418 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: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2679.424004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.424004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.424004 (E_RNA) where: Base-Base interactions energy: -1829.348 where: short stacking energy: -843.651 Base-Backbone interact. energy: -4.785 local terms energy: -845.291764 where: bonds (distance) C4'-P energy: -138.239 bonds (distance) P-C4' energy: -145.008 flat angles C4'-P-C4' energy: -180.242 flat angles P-C4'-P energy: -125.875 tors. eta vs tors. theta energy: -255.928 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: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2503.549130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.549130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.549130 (E_RNA) where: Base-Base interactions energy: -1726.544 where: short stacking energy: -713.568 Base-Backbone interact. energy: -6.203 local terms energy: -770.802500 where: bonds (distance) C4'-P energy: -140.724 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -158.875 flat angles P-C4'-P energy: -107.658 tors. eta vs tors. theta energy: -206.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2353.259364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.259364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.259364 (E_RNA) where: Base-Base interactions energy: -1622.169 where: short stacking energy: -666.996 Base-Backbone interact. energy: -3.041 local terms energy: -728.049723 where: bonds (distance) C4'-P energy: -136.311 bonds (distance) P-C4' energy: -152.910 flat angles C4'-P-C4' energy: -164.930 flat angles P-C4'-P energy: -88.794 tors. eta vs tors. theta energy: -185.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2174.300203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.300203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.300203 (E_RNA) where: Base-Base interactions energy: -1465.623 where: short stacking energy: -639.482 Base-Backbone interact. energy: -0.739 local terms energy: -707.938628 where: bonds (distance) C4'-P energy: -123.455 bonds (distance) P-C4' energy: -130.890 flat angles C4'-P-C4' energy: -157.587 flat angles P-C4'-P energy: -116.523 tors. eta vs tors. theta energy: -179.484 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: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1957.406965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.406965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.406965 (E_RNA) where: Base-Base interactions energy: -1309.940 where: short stacking energy: -578.417 Base-Backbone interact. energy: 1.064 local terms energy: -648.531435 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -136.001 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -156.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1813.131580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.131580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.131580 (E_RNA) where: Base-Base interactions energy: -1206.508 where: short stacking energy: -551.867 Base-Backbone interact. energy: -4.020 local terms energy: -602.604044 where: bonds (distance) C4'-P energy: -124.852 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -133.881 flat angles P-C4'-P energy: -92.402 tors. eta vs tors. theta energy: -127.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1458.812021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.812021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.812021 (E_RNA) where: Base-Base interactions energy: -928.536 where: short stacking energy: -437.132 Base-Backbone interact. energy: 5.831 local terms energy: -536.106457 where: bonds (distance) C4'-P energy: -131.715 bonds (distance) P-C4' energy: -125.995 flat angles C4'-P-C4' energy: -122.569 flat angles P-C4'-P energy: -73.831 tors. eta vs tors. theta energy: -81.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1203.022314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.022314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.022314 (E_RNA) where: Base-Base interactions energy: -735.041 where: short stacking energy: -334.447 Base-Backbone interact. energy: 0.355 local terms energy: -468.335794 where: bonds (distance) C4'-P energy: -122.034 bonds (distance) P-C4' energy: -127.633 flat angles C4'-P-C4' energy: -119.325 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -29.594 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: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -700.034589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.034589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.034589 (E_RNA) where: Base-Base interactions energy: -322.653 where: short stacking energy: -199.424 Base-Backbone interact. energy: 11.542 local terms energy: -388.923868 where: bonds (distance) C4'-P energy: -136.233 bonds (distance) P-C4' energy: -117.865 flat angles C4'-P-C4' energy: -121.021 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: 27.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2680.766869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.766869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.766869 (E_RNA) where: Base-Base interactions energy: -1845.703 where: short stacking energy: -774.401 Base-Backbone interact. energy: -2.114 local terms energy: -832.950196 where: bonds (distance) C4'-P energy: -151.252 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -173.083 flat angles P-C4'-P energy: -133.945 tors. eta vs tors. theta energy: -222.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2666.695889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.695889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.695889 (E_RNA) where: Base-Base interactions energy: -1821.170 where: short stacking energy: -813.617 Base-Backbone interact. energy: -2.159 local terms energy: -843.367061 where: bonds (distance) C4'-P energy: -157.281 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -166.584 flat angles P-C4'-P energy: -121.831 tors. eta vs tors. theta energy: -255.508 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: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2467.268938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.268938 (E_RNA) where: Base-Base interactions energy: -1707.093 where: short stacking energy: -708.336 Base-Backbone interact. energy: -3.792 local terms energy: -756.383494 where: bonds (distance) C4'-P energy: -151.830 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -152.252 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -194.055 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: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2364.325227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.325227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.325227 (E_RNA) where: Base-Base interactions energy: -1646.151 where: short stacking energy: -670.742 Base-Backbone interact. energy: -2.117 local terms energy: -716.057207 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -151.953 flat angles C4'-P-C4' energy: -164.459 flat angles P-C4'-P energy: -91.356 tors. eta vs tors. theta energy: -177.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2199.024799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.024799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.024799 (E_RNA) where: Base-Base interactions energy: -1487.591 where: short stacking energy: -659.691 Base-Backbone interact. energy: -3.236 local terms energy: -708.197343 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -159.906 flat angles P-C4'-P energy: -100.298 tors. eta vs tors. theta energy: -185.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2030.510702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.510702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.510702 (E_RNA) where: Base-Base interactions energy: -1370.977 where: short stacking energy: -609.500 Base-Backbone interact. energy: 1.866 local terms energy: -661.400161 where: bonds (distance) C4'-P energy: -144.734 bonds (distance) P-C4' energy: -129.393 flat angles C4'-P-C4' energy: -145.522 flat angles P-C4'-P energy: -92.740 tors. eta vs tors. theta energy: -149.013 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: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1807.779334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.779334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.779334 (E_RNA) where: Base-Base interactions energy: -1180.576 where: short stacking energy: -528.370 Base-Backbone interact. energy: -3.046 local terms energy: -624.156882 where: bonds (distance) C4'-P energy: -141.686 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -137.098 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: -123.756 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: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1482.154593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.154593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.154593 (E_RNA) where: Base-Base interactions energy: -930.856 where: short stacking energy: -458.911 Base-Backbone interact. energy: 3.044 local terms energy: -554.342818 where: bonds (distance) C4'-P energy: -125.978 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -75.613 tors. eta vs tors. theta energy: -91.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1218.925751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.925751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.925751 (E_RNA) where: Base-Base interactions energy: -717.435 where: short stacking energy: -353.726 Base-Backbone interact. energy: -0.752 local terms energy: -500.739116 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -129.880 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -46.600 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: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -790.596584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.596584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.596584 (E_RNA) where: Base-Base interactions energy: -378.445 where: short stacking energy: -222.871 Base-Backbone interact. energy: 3.780 local terms energy: -415.931121 where: bonds (distance) C4'-P energy: -113.877 bonds (distance) P-C4' energy: -128.903 flat angles C4'-P-C4' energy: -108.935 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: 11.527 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: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2712.729958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.729958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.729958 (E_RNA) where: Base-Base interactions energy: -1842.201 where: short stacking energy: -835.000 Base-Backbone interact. energy: -2.242 local terms energy: -868.287699 where: bonds (distance) C4'-P energy: -146.610 bonds (distance) P-C4' energy: -161.843 flat angles C4'-P-C4' energy: -186.714 flat angles P-C4'-P energy: -117.433 tors. eta vs tors. theta energy: -255.687 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: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2646.956527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.956527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.956527 (E_RNA) where: Base-Base interactions energy: -1849.303 where: short stacking energy: -771.163 Base-Backbone interact. energy: 1.663 local terms energy: -799.316661 where: bonds (distance) C4'-P energy: -149.821 bonds (distance) P-C4' energy: -148.212 flat angles C4'-P-C4' energy: -167.490 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -210.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2511.727063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.727063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.727063 (E_RNA) where: Base-Base interactions energy: -1709.551 where: short stacking energy: -747.992 Base-Backbone interact. energy: -0.687 local terms energy: -801.488439 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -161.381 flat angles C4'-P-C4' energy: -173.753 flat angles P-C4'-P energy: -124.510 tors. eta vs tors. theta energy: -213.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2316.879887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.879887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.879887 (E_RNA) where: Base-Base interactions energy: -1622.285 where: short stacking energy: -642.075 Base-Backbone interact. energy: -2.389 local terms energy: -692.205178 where: bonds (distance) C4'-P energy: -131.941 bonds (distance) P-C4' energy: -139.977 flat angles C4'-P-C4' energy: -151.791 flat angles P-C4'-P energy: -99.955 tors. eta vs tors. theta energy: -168.541 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: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2201.569114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.569114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.569114 (E_RNA) where: Base-Base interactions energy: -1505.069 where: short stacking energy: -647.072 Base-Backbone interact. energy: -1.118 local terms energy: -695.382629 where: bonds (distance) C4'-P energy: -141.170 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -149.705 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -181.518 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: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2000.278570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.278570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.278570 (E_RNA) where: Base-Base interactions energy: -1322.462 where: short stacking energy: -602.546 Base-Backbone interact. energy: -5.202 local terms energy: -672.614323 where: bonds (distance) C4'-P energy: -148.986 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -153.284 flat angles P-C4'-P energy: -80.192 tors. eta vs tors. theta energy: -156.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1763.640052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.640052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.640052 (E_RNA) where: Base-Base interactions energy: -1165.108 where: short stacking energy: -527.371 Base-Backbone interact. energy: -3.335 local terms energy: -595.197796 where: bonds (distance) C4'-P energy: -136.118 bonds (distance) P-C4' energy: -116.961 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -87.681 tors. eta vs tors. theta energy: -119.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1466.748460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.748460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.748460 (E_RNA) where: Base-Base interactions energy: -914.127 where: short stacking energy: -461.488 Base-Backbone interact. energy: 4.077 local terms energy: -556.698806 where: bonds (distance) C4'-P energy: -139.201 bonds (distance) P-C4' energy: -117.592 flat angles C4'-P-C4' energy: -129.592 flat angles P-C4'-P energy: -74.691 tors. eta vs tors. theta energy: -95.623 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1179.280277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.280277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.280277 (E_RNA) where: Base-Base interactions energy: -665.312 where: short stacking energy: -288.351 Base-Backbone interact. energy: -1.238 local terms energy: -512.729532 where: bonds (distance) C4'-P energy: -126.454 bonds (distance) P-C4' energy: -143.192 flat angles C4'-P-C4' energy: -123.663 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: -39.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -712.862332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.862332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.862332 (E_RNA) where: Base-Base interactions energy: -316.570 where: short stacking energy: -204.088 Base-Backbone interact. energy: -0.766 local terms energy: -395.526626 where: bonds (distance) C4'-P energy: -112.985 bonds (distance) P-C4' energy: -131.910 flat angles C4'-P-C4' energy: -121.108 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: 28.037 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: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2737.260705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.260705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.260705 (E_RNA) where: Base-Base interactions energy: -1853.099 where: short stacking energy: -856.733 Base-Backbone interact. energy: -2.074 local terms energy: -882.087972 where: bonds (distance) C4'-P energy: -158.637 bonds (distance) P-C4' energy: -151.805 flat angles C4'-P-C4' energy: -178.309 flat angles P-C4'-P energy: -126.047 tors. eta vs tors. theta energy: -267.291 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: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2641.973677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.973677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.973677 (E_RNA) where: Base-Base interactions energy: -1848.206 where: short stacking energy: -749.881 Base-Backbone interact. energy: -3.411 local terms energy: -790.356622 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -167.107 flat angles C4'-P-C4' energy: -167.985 flat angles P-C4'-P energy: -113.238 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: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2500.729866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.729866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.729866 (E_RNA) where: Base-Base interactions energy: -1717.856 where: short stacking energy: -753.405 Base-Backbone interact. energy: -4.180 local terms energy: -778.694400 where: bonds (distance) C4'-P energy: -119.278 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -167.291 flat angles P-C4'-P energy: -121.422 tors. eta vs tors. theta energy: -219.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2389.862791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.862791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.862791 (E_RNA) where: Base-Base interactions energy: -1658.036 where: short stacking energy: -696.301 Base-Backbone interact. energy: 0.116 local terms energy: -731.942041 where: bonds (distance) C4'-P energy: -124.375 bonds (distance) P-C4' energy: -141.377 flat angles C4'-P-C4' energy: -175.682 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -195.438 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: 393 Temperature: 1.100000 Total energy: -2150.893292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.893292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.893292 (E_RNA) where: Base-Base interactions energy: -1450.541 where: short stacking energy: -655.097 Base-Backbone interact. energy: -1.188 local terms energy: -699.164511 where: bonds (distance) C4'-P energy: -131.538 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -139.218 flat angles P-C4'-P energy: -93.087 tors. eta vs tors. theta energy: -188.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2051.088425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.088425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.088425 (E_RNA) where: Base-Base interactions energy: -1404.710 where: short stacking energy: -598.480 Base-Backbone interact. energy: -1.281 local terms energy: -645.097406 where: bonds (distance) C4'-P energy: -116.373 bonds (distance) P-C4' energy: -130.090 flat angles C4'-P-C4' energy: -130.539 flat angles P-C4'-P energy: -108.215 tors. eta vs tors. theta energy: -159.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1810.508319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.508319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.508319 (E_RNA) where: Base-Base interactions energy: -1206.585 where: short stacking energy: -545.314 Base-Backbone interact. energy: -1.209 local terms energy: -602.714554 where: bonds (distance) C4'-P energy: -109.836 bonds (distance) P-C4' energy: -133.261 flat angles C4'-P-C4' energy: -137.701 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -137.837 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: 393 Temperature: 1.250000 Total energy: -1466.150500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.150500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.150500 (E_RNA) where: Base-Base interactions energy: -930.367 where: short stacking energy: -412.448 Base-Backbone interact. energy: -0.303 local terms energy: -535.480591 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -132.315 flat angles P-C4'-P energy: -85.645 tors. eta vs tors. theta energy: -67.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1186.483089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.483089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.483089 (E_RNA) where: Base-Base interactions energy: -713.504 where: short stacking energy: -353.116 Base-Backbone interact. energy: -3.175 local terms energy: -469.803806 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -115.003 flat angles C4'-P-C4' energy: -117.660 flat angles P-C4'-P energy: -80.848 tors. eta vs tors. theta energy: -49.210 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: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -718.637206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.637206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.637206 (E_RNA) where: Base-Base interactions energy: -318.209 where: short stacking energy: -213.051 Base-Backbone interact. energy: 4.131 local terms energy: -404.559361 where: bonds (distance) C4'-P energy: -124.452 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -96.071 flat angles P-C4'-P energy: -58.255 tors. eta vs tors. theta energy: 14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2738.335930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.335930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.335930 (E_RNA) where: Base-Base interactions energy: -1864.699 where: short stacking energy: -858.005 Base-Backbone interact. energy: -3.727 local terms energy: -869.910410 where: bonds (distance) C4'-P energy: -143.267 bonds (distance) P-C4' energy: -164.464 flat angles C4'-P-C4' energy: -189.331 flat angles P-C4'-P energy: -110.003 tors. eta vs tors. theta energy: -262.846 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: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2641.489811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.489811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.489811 (E_RNA) where: Base-Base interactions energy: -1863.730 where: short stacking energy: -753.577 Base-Backbone interact. energy: -2.217 local terms energy: -775.542988 where: bonds (distance) C4'-P energy: -148.166 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -171.186 flat angles P-C4'-P energy: -102.130 tors. eta vs tors. theta energy: -204.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2493.708951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.708951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.708951 (E_RNA) where: Base-Base interactions energy: -1734.426 where: short stacking energy: -703.535 Base-Backbone interact. energy: -4.025 local terms energy: -755.258311 where: bonds (distance) C4'-P energy: -145.089 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -164.943 flat angles P-C4'-P energy: -102.650 tors. eta vs tors. theta energy: -203.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2387.489329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.489329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.489329 (E_RNA) where: Base-Base interactions energy: -1623.105 where: short stacking energy: -684.171 Base-Backbone interact. energy: -0.763 local terms energy: -763.621571 where: bonds (distance) C4'-P energy: -152.357 bonds (distance) P-C4' energy: -149.411 flat angles C4'-P-C4' energy: -170.225 flat angles P-C4'-P energy: -107.828 tors. eta vs tors. theta energy: -183.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2202.690585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.690585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.690585 (E_RNA) where: Base-Base interactions energy: -1483.017 where: short stacking energy: -641.518 Base-Backbone interact. energy: 2.336 local terms energy: -722.009676 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -152.836 flat angles C4'-P-C4' energy: -171.249 flat angles P-C4'-P energy: -92.407 tors. eta vs tors. theta energy: -180.281 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: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2091.144294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.144294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.144294 (E_RNA) where: Base-Base interactions energy: -1426.970 where: short stacking energy: -626.213 Base-Backbone interact. energy: -1.562 local terms energy: -662.612808 where: bonds (distance) C4'-P energy: -120.206 bonds (distance) P-C4' energy: -142.470 flat angles C4'-P-C4' energy: -143.614 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -171.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1888.957046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.957046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.957046 (E_RNA) where: Base-Base interactions energy: -1267.861 where: short stacking energy: -533.557 Base-Backbone interact. energy: -5.144 local terms energy: -615.952365 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -134.195 flat angles C4'-P-C4' energy: -137.172 flat angles P-C4'-P energy: -73.375 tors. eta vs tors. theta energy: -130.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1367.698581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.698581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.698581 (E_RNA) where: Base-Base interactions energy: -826.502 where: short stacking energy: -388.462 Base-Backbone interact. energy: 1.494 local terms energy: -542.690388 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -133.203 flat angles C4'-P-C4' energy: -141.426 flat angles P-C4'-P energy: -61.828 tors. eta vs tors. theta energy: -85.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1045.431237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.431237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.431237 (E_RNA) where: Base-Base interactions energy: -545.019 where: short stacking energy: -271.808 Base-Backbone interact. energy: -6.568 local terms energy: -493.845039 where: bonds (distance) C4'-P energy: -127.728 bonds (distance) P-C4' energy: -132.205 flat angles C4'-P-C4' energy: -128.337 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -28.296 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -744.070460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.070460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.070460 (E_RNA) where: Base-Base interactions energy: -320.594 where: short stacking energy: -194.332 Base-Backbone interact. energy: 2.541 local terms energy: -426.017072 where: bonds (distance) C4'-P energy: -116.209 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -126.789 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: 11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2738.301649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.301649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.301649 (E_RNA) where: Base-Base interactions energy: -1860.772 where: short stacking energy: -847.634 Base-Backbone interact. energy: 0.019 local terms energy: -877.549020 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -154.511 flat angles C4'-P-C4' energy: -187.467 flat angles P-C4'-P energy: -124.089 tors. eta vs tors. theta energy: -261.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2642.224386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.224386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.224386 (E_RNA) where: Base-Base interactions energy: -1836.422 where: short stacking energy: -770.394 Base-Backbone interact. energy: 1.045 local terms energy: -806.847494 where: bonds (distance) C4'-P energy: -144.216 bonds (distance) P-C4' energy: -156.748 flat angles C4'-P-C4' energy: -167.000 flat angles P-C4'-P energy: -120.247 tors. eta vs tors. theta energy: -218.637 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: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2471.907467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.907467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.907467 (E_RNA) where: Base-Base interactions energy: -1668.939 where: short stacking energy: -753.041 Base-Backbone interact. energy: 3.555 local terms energy: -806.522622 where: bonds (distance) C4'-P energy: -145.329 bonds (distance) P-C4' energy: -153.810 flat angles C4'-P-C4' energy: -180.749 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -219.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2380.771417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.771417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.771417 (E_RNA) where: Base-Base interactions energy: -1648.908 where: short stacking energy: -693.495 Base-Backbone interact. energy: -1.088 local terms energy: -730.775190 where: bonds (distance) C4'-P energy: -127.412 bonds (distance) P-C4' energy: -133.251 flat angles C4'-P-C4' energy: -172.691 flat angles P-C4'-P energy: -120.637 tors. eta vs tors. theta energy: -176.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2226.690941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.690941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.690941 (E_RNA) where: Base-Base interactions energy: -1526.593 where: short stacking energy: -681.380 Base-Backbone interact. energy: -0.106 local terms energy: -699.991464 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -142.400 flat angles C4'-P-C4' energy: -152.698 flat angles P-C4'-P energy: -90.324 tors. eta vs tors. theta energy: -189.073 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: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2071.950332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.950332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.950332 (E_RNA) where: Base-Base interactions energy: -1379.818 where: short stacking energy: -607.464 Base-Backbone interact. energy: -3.597 local terms energy: -688.535629 where: bonds (distance) C4'-P energy: -129.256 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -162.414 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -164.497 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: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1807.372105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.372105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.372105 (E_RNA) where: Base-Base interactions energy: -1201.963 where: short stacking energy: -542.432 Base-Backbone interact. energy: -4.418 local terms energy: -600.990894 where: bonds (distance) C4'-P energy: -128.318 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -144.700 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -120.837 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: 395 Temperature: 1.250000 Total energy: -1420.917354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.917354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.917354 (E_RNA) where: Base-Base interactions energy: -864.410 where: short stacking energy: -423.362 Base-Backbone interact. energy: 1.848 local terms energy: -558.354894 where: bonds (distance) C4'-P energy: -135.268 bonds (distance) P-C4' energy: -131.223 flat angles C4'-P-C4' energy: -136.919 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -87.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1046.106118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.106118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.106118 (E_RNA) where: Base-Base interactions energy: -545.685 where: short stacking energy: -291.261 Base-Backbone interact. energy: -1.918 local terms energy: -498.503772 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -114.954 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -37.991 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -713.289682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.289682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.289682 (E_RNA) where: Base-Base interactions energy: -297.290 where: short stacking energy: -192.862 Base-Backbone interact. energy: 2.121 local terms energy: -418.120309 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -112.221 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: 5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2746.928128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.928128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.928128 (E_RNA) where: Base-Base interactions energy: -1889.408 where: short stacking energy: -838.259 Base-Backbone interact. energy: -0.842 local terms energy: -856.678799 where: bonds (distance) C4'-P energy: -139.969 bonds (distance) P-C4' energy: -148.386 flat angles C4'-P-C4' energy: -177.818 flat angles P-C4'-P energy: -133.431 tors. eta vs tors. theta energy: -257.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2668.830342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.830342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.830342 (E_RNA) where: Base-Base interactions energy: -1855.446 where: short stacking energy: -767.714 Base-Backbone interact. energy: -5.160 local terms energy: -808.224466 where: bonds (distance) C4'-P energy: -141.965 bonds (distance) P-C4' energy: -163.352 flat angles C4'-P-C4' energy: -170.268 flat angles P-C4'-P energy: -115.332 tors. eta vs tors. theta energy: -217.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2472.686228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.686228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.686228 (E_RNA) where: Base-Base interactions energy: -1681.414 where: short stacking energy: -746.995 Base-Backbone interact. energy: -1.554 local terms energy: -789.718792 where: bonds (distance) C4'-P energy: -136.140 bonds (distance) P-C4' energy: -151.085 flat angles C4'-P-C4' energy: -167.693 flat angles P-C4'-P energy: -119.941 tors. eta vs tors. theta energy: -214.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2328.648428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.648428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.648428 (E_RNA) where: Base-Base interactions energy: -1624.295 where: short stacking energy: -668.224 Base-Backbone interact. energy: 4.192 local terms energy: -708.545117 where: bonds (distance) C4'-P energy: -132.421 bonds (distance) P-C4' energy: -131.289 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -106.026 tors. eta vs tors. theta energy: -187.467 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: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2112.529561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.529561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.529561 (E_RNA) where: Base-Base interactions energy: -1437.552 where: short stacking energy: -610.847 Base-Backbone interact. energy: -3.620 local terms energy: -671.358077 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -151.958 flat angles C4'-P-C4' energy: -125.538 flat angles P-C4'-P energy: -91.433 tors. eta vs tors. theta energy: -167.318 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: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2082.151245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.151245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.151245 (E_RNA) where: Base-Base interactions energy: -1417.136 where: short stacking energy: -622.788 Base-Backbone interact. energy: -1.485 local terms energy: -663.530304 where: bonds (distance) C4'-P energy: -123.726 bonds (distance) P-C4' energy: -135.839 flat angles C4'-P-C4' energy: -148.957 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -169.303 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: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1818.435052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.435052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.435052 (E_RNA) where: Base-Base interactions energy: -1199.584 where: short stacking energy: -538.892 Base-Backbone interact. energy: -2.432 local terms energy: -616.418220 where: bonds (distance) C4'-P energy: -121.468 bonds (distance) P-C4' energy: -133.546 flat angles C4'-P-C4' energy: -151.818 flat angles P-C4'-P energy: -83.074 tors. eta vs tors. theta energy: -126.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1445.726509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.726509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.726509 (E_RNA) where: Base-Base interactions energy: -926.924 where: short stacking energy: -472.801 Base-Backbone interact. energy: -1.158 local terms energy: -517.644268 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -113.200 flat angles C4'-P-C4' energy: -131.055 flat angles P-C4'-P energy: -61.449 tors. eta vs tors. theta energy: -95.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1111.145455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.145455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.145455 (E_RNA) where: Base-Base interactions energy: -622.518 where: short stacking energy: -311.377 Base-Backbone interact. energy: 4.933 local terms energy: -493.561136 where: bonds (distance) C4'-P energy: -114.799 bonds (distance) P-C4' energy: -137.050 flat angles C4'-P-C4' energy: -134.229 flat angles P-C4'-P energy: -71.142 tors. eta vs tors. theta energy: -36.343 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -827.044317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.044317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.044317 (E_RNA) where: Base-Base interactions energy: -419.635 where: short stacking energy: -243.833 Base-Backbone interact. energy: 4.142 local terms energy: -411.551862 where: bonds (distance) C4'-P energy: -119.053 bonds (distance) P-C4' energy: -120.350 flat angles C4'-P-C4' energy: -104.341 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: 6.497 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: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2735.390216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.390216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.390216 (E_RNA) where: Base-Base interactions energy: -1885.134 where: short stacking energy: -849.533 Base-Backbone interact. energy: 0.851 local terms energy: -851.107048 where: bonds (distance) C4'-P energy: -150.611 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -173.403 flat angles P-C4'-P energy: -114.666 tors. eta vs tors. theta energy: -253.456 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: 397 Temperature: 0.950000 Total energy: -2630.188593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.188593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.188593 (E_RNA) where: Base-Base interactions energy: -1831.215 where: short stacking energy: -722.488 Base-Backbone interact. energy: -2.542 local terms energy: -796.431599 where: bonds (distance) C4'-P energy: -142.055 bonds (distance) P-C4' energy: -160.170 flat angles C4'-P-C4' energy: -171.225 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -209.928 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: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2483.871298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.871298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.871298 (E_RNA) where: Base-Base interactions energy: -1711.559 where: short stacking energy: -757.779 Base-Backbone interact. energy: -4.953 local terms energy: -767.359188 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -142.780 flat angles C4'-P-C4' energy: -176.887 flat angles P-C4'-P energy: -107.796 tors. eta vs tors. theta energy: -205.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2347.927189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.927189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.927189 (E_RNA) where: Base-Base interactions energy: -1648.456 where: short stacking energy: -648.330 Base-Backbone interact. energy: -5.653 local terms energy: -693.818041 where: bonds (distance) C4'-P energy: -124.030 bonds (distance) P-C4' energy: -140.123 flat angles C4'-P-C4' energy: -177.180 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -174.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2105.544181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.544181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.544181 (E_RNA) where: Base-Base interactions energy: -1417.622 where: short stacking energy: -615.159 Base-Backbone interact. energy: -2.062 local terms energy: -685.860319 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -136.921 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -92.151 tors. eta vs tors. theta energy: -178.272 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: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2018.581315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.581315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.581315 (E_RNA) where: Base-Base interactions energy: -1325.857 where: short stacking energy: -562.308 Base-Backbone interact. energy: -3.091 local terms energy: -689.633287 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -150.144 flat angles C4'-P-C4' energy: -163.995 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -146.409 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: 397 Temperature: 1.200000 Total energy: -1817.575997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.575997 (E_RNA) where: Base-Base interactions energy: -1206.210 where: short stacking energy: -530.411 Base-Backbone interact. energy: -4.179 local terms energy: -607.187657 where: bonds (distance) C4'-P energy: -119.645 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -143.628 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -127.352 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: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1511.047156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.047156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.047156 (E_RNA) where: Base-Base interactions energy: -939.620 where: short stacking energy: -434.864 Base-Backbone interact. energy: 1.241 local terms energy: -572.668341 where: bonds (distance) C4'-P energy: -123.324 bonds (distance) P-C4' energy: -140.999 flat angles C4'-P-C4' energy: -122.311 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -95.690 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: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1075.884996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.884996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.884996 (E_RNA) where: Base-Base interactions energy: -617.703 where: short stacking energy: -314.408 Base-Backbone interact. energy: 0.599 local terms energy: -458.780773 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -122.386 flat angles C4'-P-C4' energy: -120.043 flat angles P-C4'-P energy: -63.384 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: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -825.774394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.774394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.774394 (E_RNA) where: Base-Base interactions energy: -405.253 where: short stacking energy: -230.274 Base-Backbone interact. energy: 1.839 local terms energy: -422.360947 where: bonds (distance) C4'-P energy: -133.533 bonds (distance) P-C4' energy: -121.326 flat angles C4'-P-C4' energy: -109.683 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: 7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2732.216508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.216508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.216508 (E_RNA) where: Base-Base interactions energy: -1858.465 where: short stacking energy: -856.385 Base-Backbone interact. energy: -2.030 local terms energy: -871.721604 where: bonds (distance) C4'-P energy: -155.956 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -178.337 flat angles P-C4'-P energy: -127.684 tors. eta vs tors. theta energy: -261.084 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: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2644.523138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.523138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.523138 (E_RNA) where: Base-Base interactions energy: -1835.658 where: short stacking energy: -729.334 Base-Backbone interact. energy: -4.147 local terms energy: -804.718506 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -159.956 flat angles C4'-P-C4' energy: -170.260 flat angles P-C4'-P energy: -121.539 tors. eta vs tors. theta energy: -201.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2469.830041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.830041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.830041 (E_RNA) where: Base-Base interactions energy: -1729.060 where: short stacking energy: -702.636 Base-Backbone interact. energy: 1.201 local terms energy: -741.971329 where: bonds (distance) C4'-P energy: -155.340 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -181.903 flat angles P-C4'-P energy: -77.784 tors. eta vs tors. theta energy: -190.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2376.920051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.920051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.920051 (E_RNA) where: Base-Base interactions energy: -1638.464 where: short stacking energy: -655.707 Base-Backbone interact. energy: 2.243 local terms energy: -740.698772 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -148.930 flat angles C4'-P-C4' energy: -157.565 flat angles P-C4'-P energy: -108.799 tors. eta vs tors. theta energy: -186.520 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: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2101.025230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.025230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.025230 (E_RNA) where: Base-Base interactions energy: -1418.789 where: short stacking energy: -623.424 Base-Backbone interact. energy: -7.122 local terms energy: -675.115006 where: bonds (distance) C4'-P energy: -107.608 bonds (distance) P-C4' energy: -151.343 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -91.432 tors. eta vs tors. theta energy: -162.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1943.209614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.209614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.209614 (E_RNA) where: Base-Base interactions energy: -1290.056 where: short stacking energy: -558.255 Base-Backbone interact. energy: -0.656 local terms energy: -652.497522 where: bonds (distance) C4'-P energy: -122.920 bonds (distance) P-C4' energy: -155.745 flat angles C4'-P-C4' energy: -135.836 flat angles P-C4'-P energy: -91.877 tors. eta vs tors. theta energy: -146.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1884.223268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.223268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.223268 (E_RNA) where: Base-Base interactions energy: -1281.025 where: short stacking energy: -559.338 Base-Backbone interact. energy: 5.259 local terms energy: -608.456887 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -118.499 flat angles C4'-P-C4' energy: -141.444 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -122.862 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: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1511.543667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.543667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.543667 (E_RNA) where: Base-Base interactions energy: -968.527 where: short stacking energy: -440.084 Base-Backbone interact. energy: -1.189 local terms energy: -541.827700 where: bonds (distance) C4'-P energy: -121.803 bonds (distance) P-C4' energy: -125.252 flat angles C4'-P-C4' energy: -119.926 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -94.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1113.765704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.765704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.765704 (E_RNA) where: Base-Base interactions energy: -632.120 where: short stacking energy: -321.210 Base-Backbone interact. energy: -0.169 local terms energy: -481.476606 where: bonds (distance) C4'-P energy: -122.520 bonds (distance) P-C4' energy: -122.796 flat angles C4'-P-C4' energy: -123.510 flat angles P-C4'-P energy: -64.838 tors. eta vs tors. theta energy: -47.814 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: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -841.046931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.046931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.046931 (E_RNA) where: Base-Base interactions energy: -441.669 where: short stacking energy: -246.363 Base-Backbone interact. energy: 0.559 local terms energy: -399.936912 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -104.569 flat angles C4'-P-C4' energy: -94.180 flat angles P-C4'-P energy: -76.852 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2742.155225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.155225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.155225 (E_RNA) where: Base-Base interactions energy: -1895.661 where: short stacking energy: -855.438 Base-Backbone interact. energy: -1.707 local terms energy: -844.786756 where: bonds (distance) C4'-P energy: -136.127 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -180.728 flat angles P-C4'-P energy: -120.620 tors. eta vs tors. theta energy: -258.743 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: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2646.541782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.541782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.541782 (E_RNA) where: Base-Base interactions energy: -1884.660 where: short stacking energy: -754.681 Base-Backbone interact. energy: -3.526 local terms energy: -758.355584 where: bonds (distance) C4'-P energy: -133.394 bonds (distance) P-C4' energy: -140.329 flat angles C4'-P-C4' energy: -172.288 flat angles P-C4'-P energy: -106.378 tors. eta vs tors. theta energy: -205.967 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: 399 Temperature: 1.000000 Total energy: -2470.386705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.386705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.386705 (E_RNA) where: Base-Base interactions energy: -1659.438 where: short stacking energy: -715.188 Base-Backbone interact. energy: -3.449 local terms energy: -807.499811 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -143.833 flat angles C4'-P-C4' energy: -177.826 flat angles P-C4'-P energy: -120.763 tors. eta vs tors. theta energy: -212.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2368.518787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.518787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.518787 (E_RNA) where: Base-Base interactions energy: -1636.165 where: short stacking energy: -698.665 Base-Backbone interact. energy: -0.867 local terms energy: -731.487462 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -127.867 flat angles C4'-P-C4' energy: -178.664 flat angles P-C4'-P energy: -99.318 tors. eta vs tors. theta energy: -193.372 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: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2158.564195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.564195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.564195 (E_RNA) where: Base-Base interactions energy: -1471.226 where: short stacking energy: -643.312 Base-Backbone interact. energy: 2.592 local terms energy: -689.930159 where: bonds (distance) C4'-P energy: -127.076 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -179.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1990.901926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.901926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.901926 (E_RNA) where: Base-Base interactions energy: -1318.930 where: short stacking energy: -589.096 Base-Backbone interact. energy: -2.002 local terms energy: -669.970693 where: bonds (distance) C4'-P energy: -149.735 bonds (distance) P-C4' energy: -124.585 flat angles C4'-P-C4' energy: -144.721 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -153.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1795.201417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.201417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.201417 (E_RNA) where: Base-Base interactions energy: -1186.275 where: short stacking energy: -559.614 Base-Backbone interact. energy: 0.057 local terms energy: -608.982811 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -129.218 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -130.038 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: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1492.898700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.898700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.898700 (E_RNA) where: Base-Base interactions energy: -968.694 where: short stacking energy: -452.093 Base-Backbone interact. energy: 0.026 local terms energy: -524.230508 where: bonds (distance) C4'-P energy: -103.571 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -133.393 flat angles P-C4'-P energy: -83.956 tors. eta vs tors. theta energy: -78.873 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: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1130.153692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.153692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.153692 (E_RNA) where: Base-Base interactions energy: -653.946 where: short stacking energy: -277.121 Base-Backbone interact. energy: 2.934 local terms energy: -479.141810 where: bonds (distance) C4'-P energy: -146.498 bonds (distance) P-C4' energy: -103.381 flat angles C4'-P-C4' energy: -124.200 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -27.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -807.429806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.429806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.429806 (E_RNA) where: Base-Base interactions energy: -403.453 where: short stacking energy: -235.269 Base-Backbone interact. energy: 4.273 local terms energy: -408.249909 where: bonds (distance) C4'-P energy: -123.387 bonds (distance) P-C4' energy: -104.987 flat angles C4'-P-C4' energy: -130.696 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: 5.688 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: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2738.387110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.387110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.387110 (E_RNA) where: Base-Base interactions energy: -1887.773 where: short stacking energy: -869.919 Base-Backbone interact. energy: -1.465 local terms energy: -849.148849 where: bonds (distance) C4'-P energy: -151.891 bonds (distance) P-C4' energy: -146.006 flat angles C4'-P-C4' energy: -178.440 flat angles P-C4'-P energy: -112.955 tors. eta vs tors. theta energy: -259.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2632.172704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.172704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.172704 (E_RNA) where: Base-Base interactions energy: -1836.291 where: short stacking energy: -741.921 Base-Backbone interact. energy: -0.259 local terms energy: -795.622407 where: bonds (distance) C4'-P energy: -139.027 bonds (distance) P-C4' energy: -157.330 flat angles C4'-P-C4' energy: -161.033 flat angles P-C4'-P energy: -131.848 tors. eta vs tors. theta energy: -206.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2456.161940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.161940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.161940 (E_RNA) where: Base-Base interactions energy: -1721.421 where: short stacking energy: -693.503 Base-Backbone interact. energy: -3.151 local terms energy: -731.590307 where: bonds (distance) C4'-P energy: -137.795 bonds (distance) P-C4' energy: -142.632 flat angles C4'-P-C4' energy: -164.672 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -193.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2377.315089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.315089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.315089 (E_RNA) where: Base-Base interactions energy: -1630.145 where: short stacking energy: -683.801 Base-Backbone interact. energy: -3.962 local terms energy: -743.208785 where: bonds (distance) C4'-P energy: -148.378 bonds (distance) P-C4' energy: -146.150 flat angles C4'-P-C4' energy: -153.354 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -188.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2167.735417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.735417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.735417 (E_RNA) where: Base-Base interactions energy: -1467.493 where: short stacking energy: -616.460 Base-Backbone interact. energy: -2.395 local terms energy: -697.847442 where: bonds (distance) C4'-P energy: -140.201 bonds (distance) P-C4' energy: -146.080 flat angles C4'-P-C4' energy: -141.831 flat angles P-C4'-P energy: -99.004 tors. eta vs tors. theta energy: -170.732 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: 400 Temperature: 1.150000 Total energy: -2018.232791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.232791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.232791 (E_RNA) where: Base-Base interactions energy: -1343.672 where: short stacking energy: -588.396 Base-Backbone interact. energy: -2.021 local terms energy: -672.540208 where: bonds (distance) C4'-P energy: -137.709 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -159.743 flat angles P-C4'-P energy: -99.468 tors. eta vs tors. theta energy: -150.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1818.769426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.769426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.769426 (E_RNA) where: Base-Base interactions energy: -1228.086 where: short stacking energy: -544.207 Base-Backbone interact. energy: 3.178 local terms energy: -593.861165 where: bonds (distance) C4'-P energy: -126.343 bonds (distance) P-C4' energy: -122.776 flat angles C4'-P-C4' energy: -132.520 flat angles P-C4'-P energy: -89.725 tors. eta vs tors. theta energy: -122.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1512.965706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.965706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.965706 (E_RNA) where: Base-Base interactions energy: -974.675 where: short stacking energy: -421.738 Base-Backbone interact. energy: -3.596 local terms energy: -534.694608 where: bonds (distance) C4'-P energy: -109.291 bonds (distance) P-C4' energy: -125.279 flat angles C4'-P-C4' energy: -126.982 flat angles P-C4'-P energy: -91.754 tors. eta vs tors. theta energy: -81.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1065.722941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.722941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.722941 (E_RNA) where: Base-Base interactions energy: -615.974 where: short stacking energy: -314.211 Base-Backbone interact. energy: -2.216 local terms energy: -447.532784 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -131.898 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -72.459 tors. eta vs tors. theta energy: -24.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -711.414952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.414952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.414952 (E_RNA) where: Base-Base interactions energy: -328.604 where: short stacking energy: -221.555 Base-Backbone interact. energy: 2.258 local terms energy: -385.068723 where: bonds (distance) C4'-P energy: -128.522 bonds (distance) P-C4' energy: -120.175 flat angles C4'-P-C4' energy: -105.837 flat angles P-C4'-P energy: -28.819 tors. eta vs tors. theta energy: -1.716 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: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2744.157112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.157112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.157112 (E_RNA) where: Base-Base interactions energy: -1835.703 where: short stacking energy: -842.373 Base-Backbone interact. energy: -4.059 local terms energy: -904.395514 where: bonds (distance) C4'-P energy: -157.892 bonds (distance) P-C4' energy: -161.210 flat angles C4'-P-C4' energy: -183.295 flat angles P-C4'-P energy: -129.091 tors. eta vs tors. theta energy: -272.908 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: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2630.963623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.963623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.963623 (E_RNA) where: Base-Base interactions energy: -1842.298 where: short stacking energy: -742.624 Base-Backbone interact. energy: -5.216 local terms energy: -783.449800 where: bonds (distance) C4'-P energy: -156.949 bonds (distance) P-C4' energy: -160.290 flat angles C4'-P-C4' energy: -166.264 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -193.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2433.796602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.796602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.796602 (E_RNA) where: Base-Base interactions energy: -1679.584 where: short stacking energy: -686.180 Base-Backbone interact. energy: -6.924 local terms energy: -747.288051 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -131.162 flat angles C4'-P-C4' energy: -165.036 flat angles P-C4'-P energy: -114.865 tors. eta vs tors. theta energy: -185.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2431.336441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.336441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.336441 (E_RNA) where: Base-Base interactions energy: -1703.531 where: short stacking energy: -706.863 Base-Backbone interact. energy: -5.417 local terms energy: -722.388127 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -154.311 flat angles P-C4'-P energy: -107.464 tors. eta vs tors. theta energy: -194.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2171.764382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.764382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.764382 (E_RNA) where: Base-Base interactions energy: -1468.151 where: short stacking energy: -608.189 Base-Backbone interact. energy: 3.079 local terms energy: -706.693123 where: bonds (distance) C4'-P energy: -134.120 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -159.835 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -169.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2036.997303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.997303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.997303 (E_RNA) where: Base-Base interactions energy: -1347.086 where: short stacking energy: -589.911 Base-Backbone interact. energy: -4.776 local terms energy: -685.135853 where: bonds (distance) C4'-P energy: -144.163 bonds (distance) P-C4' energy: -141.517 flat angles C4'-P-C4' energy: -154.375 flat angles P-C4'-P energy: -84.897 tors. eta vs tors. theta energy: -160.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1784.002184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.002184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.002184 (E_RNA) where: Base-Base interactions energy: -1167.320 where: short stacking energy: -539.304 Base-Backbone interact. energy: -4.745 local terms energy: -611.937018 where: bonds (distance) C4'-P energy: -131.066 bonds (distance) P-C4' energy: -136.818 flat angles C4'-P-C4' energy: -146.175 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: -125.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1525.403229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.403229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.403229 (E_RNA) where: Base-Base interactions energy: -975.833 where: short stacking energy: -438.611 Base-Backbone interact. energy: -1.761 local terms energy: -547.808520 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -125.245 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -85.620 tors. eta vs tors. theta energy: -111.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1085.911574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.911574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.911574 (E_RNA) where: Base-Base interactions energy: -603.183 where: short stacking energy: -333.917 Base-Backbone interact. energy: -0.952 local terms energy: -481.777260 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -140.495 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -49.716 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -720.517464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.517464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.517464 (E_RNA) where: Base-Base interactions energy: -330.158 where: short stacking energy: -222.545 Base-Backbone interact. energy: -1.711 local terms energy: -388.648939 where: bonds (distance) C4'-P energy: -114.280 bonds (distance) P-C4' energy: -124.260 flat angles C4'-P-C4' energy: -112.195 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: 0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2722.396151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.396151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.396151 (E_RNA) where: Base-Base interactions energy: -1841.500 where: short stacking energy: -842.038 Base-Backbone interact. energy: -5.921 local terms energy: -874.975260 where: bonds (distance) C4'-P energy: -157.204 bonds (distance) P-C4' energy: -150.410 flat angles C4'-P-C4' energy: -180.879 flat angles P-C4'-P energy: -130.018 tors. eta vs tors. theta energy: -256.464 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: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2627.665670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.665670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.665670 (E_RNA) where: Base-Base interactions energy: -1823.118 where: short stacking energy: -740.458 Base-Backbone interact. energy: -0.267 local terms energy: -804.281265 where: bonds (distance) C4'-P energy: -156.656 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -176.905 flat angles P-C4'-P energy: -114.312 tors. eta vs tors. theta energy: -203.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2434.021663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.021663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.021663 (E_RNA) where: Base-Base interactions energy: -1686.372 where: short stacking energy: -672.595 Base-Backbone interact. energy: -5.726 local terms energy: -741.923696 where: bonds (distance) C4'-P energy: -131.975 bonds (distance) P-C4' energy: -162.207 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -113.576 tors. eta vs tors. theta energy: -173.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2395.662190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.662190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.662190 (E_RNA) where: Base-Base interactions energy: -1627.635 where: short stacking energy: -702.308 Base-Backbone interact. energy: -2.480 local terms energy: -765.546861 where: bonds (distance) C4'-P energy: -143.854 bonds (distance) P-C4' energy: -149.023 flat angles C4'-P-C4' energy: -165.459 flat angles P-C4'-P energy: -103.868 tors. eta vs tors. theta energy: -203.343 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2181.620662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.620662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.620662 (E_RNA) where: Base-Base interactions energy: -1470.155 where: short stacking energy: -630.460 Base-Backbone interact. energy: -3.787 local terms energy: -707.679058 where: bonds (distance) C4'-P energy: -133.469 bonds (distance) P-C4' energy: -128.104 flat angles C4'-P-C4' energy: -165.753 flat angles P-C4'-P energy: -108.137 tors. eta vs tors. theta energy: -172.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2046.068849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.068849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.068849 (E_RNA) where: Base-Base interactions energy: -1369.825 where: short stacking energy: -599.869 Base-Backbone interact. energy: -1.628 local terms energy: -674.614986 where: bonds (distance) C4'-P energy: -132.956 bonds (distance) P-C4' energy: -140.947 flat angles C4'-P-C4' energy: -150.501 flat angles P-C4'-P energy: -92.095 tors. eta vs tors. theta energy: -158.116 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: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1748.945007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.945007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.945007 (E_RNA) where: Base-Base interactions energy: -1171.068 where: short stacking energy: -563.936 Base-Backbone interact. energy: 3.404 local terms energy: -581.280423 where: bonds (distance) C4'-P energy: -98.361 bonds (distance) P-C4' energy: -130.466 flat angles C4'-P-C4' energy: -149.559 flat angles P-C4'-P energy: -80.586 tors. eta vs tors. theta energy: -122.309 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: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1595.252983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.252983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.252983 (E_RNA) where: Base-Base interactions energy: -1031.340 where: short stacking energy: -475.825 Base-Backbone interact. energy: -4.409 local terms energy: -559.504154 where: bonds (distance) C4'-P energy: -136.976 bonds (distance) P-C4' energy: -131.423 flat angles C4'-P-C4' energy: -124.013 flat angles P-C4'-P energy: -78.204 tors. eta vs tors. theta energy: -88.888 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: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1019.467034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.467034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.467034 (E_RNA) where: Base-Base interactions energy: -577.791 where: short stacking energy: -291.587 Base-Backbone interact. energy: 7.666 local terms energy: -449.342328 where: bonds (distance) C4'-P energy: -109.869 bonds (distance) P-C4' energy: -119.782 flat angles C4'-P-C4' energy: -135.655 flat angles P-C4'-P energy: -63.142 tors. eta vs tors. theta energy: -20.894 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: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -783.943470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.943470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.943470 (E_RNA) where: Base-Base interactions energy: -415.617 where: short stacking energy: -219.513 Base-Backbone interact. energy: -1.803 local terms energy: -366.523180 where: bonds (distance) C4'-P energy: -109.434 bonds (distance) P-C4' energy: -109.363 flat angles C4'-P-C4' energy: -82.365 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: 14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2730.869312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.869312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.869312 (E_RNA) where: Base-Base interactions energy: -1856.442 where: short stacking energy: -855.112 Base-Backbone interact. energy: -3.137 local terms energy: -871.290321 where: bonds (distance) C4'-P energy: -140.876 bonds (distance) P-C4' energy: -174.435 flat angles C4'-P-C4' energy: -181.879 flat angles P-C4'-P energy: -118.577 tors. eta vs tors. theta energy: -255.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2633.013362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.013362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.013362 (E_RNA) where: Base-Base interactions energy: -1852.887 where: short stacking energy: -768.661 Base-Backbone interact. energy: -7.186 local terms energy: -772.940136 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -162.397 flat angles P-C4'-P energy: -122.546 tors. eta vs tors. theta energy: -212.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2430.628286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.628286 (E_RNA) where: Base-Base interactions energy: -1692.980 where: short stacking energy: -717.761 Base-Backbone interact. energy: -1.913 local terms energy: -735.735497 where: bonds (distance) C4'-P energy: -138.188 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -189.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2371.360977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.360977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.360977 (E_RNA) where: Base-Base interactions energy: -1618.186 where: short stacking energy: -703.979 Base-Backbone interact. energy: -5.660 local terms energy: -747.515565 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -128.429 flat angles C4'-P-C4' energy: -161.051 flat angles P-C4'-P energy: -118.647 tors. eta vs tors. theta energy: -205.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2157.084008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.084008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.084008 (E_RNA) where: Base-Base interactions energy: -1446.506 where: short stacking energy: -624.523 Base-Backbone interact. energy: -3.913 local terms energy: -706.664765 where: bonds (distance) C4'-P energy: -140.170 bonds (distance) P-C4' energy: -143.032 flat angles C4'-P-C4' energy: -155.211 flat angles P-C4'-P energy: -98.642 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: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2047.872369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.872369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.872369 (E_RNA) where: Base-Base interactions energy: -1390.502 where: short stacking energy: -624.592 Base-Backbone interact. energy: 3.230 local terms energy: -660.600554 where: bonds (distance) C4'-P energy: -127.553 bonds (distance) P-C4' energy: -126.671 flat angles C4'-P-C4' energy: -137.253 flat angles P-C4'-P energy: -101.494 tors. eta vs tors. theta energy: -167.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1872.757661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.757661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.757661 (E_RNA) where: Base-Base interactions energy: -1246.206 where: short stacking energy: -556.845 Base-Backbone interact. energy: -0.443 local terms energy: -626.108666 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -89.998 tors. eta vs tors. theta energy: -143.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1535.907687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.907687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.907687 (E_RNA) where: Base-Base interactions energy: -992.785 where: short stacking energy: -435.028 Base-Backbone interact. energy: -0.423 local terms energy: -542.700099 where: bonds (distance) C4'-P energy: -122.145 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -120.494 flat angles P-C4'-P energy: -82.320 tors. eta vs tors. theta energy: -79.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1109.103025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.103025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.103025 (E_RNA) where: Base-Base interactions energy: -644.800 where: short stacking energy: -310.257 Base-Backbone interact. energy: -5.214 local terms energy: -459.088596 where: bonds (distance) C4'-P energy: -131.371 bonds (distance) P-C4' energy: -135.262 flat angles C4'-P-C4' energy: -96.069 flat angles P-C4'-P energy: -69.218 tors. eta vs tors. theta energy: -27.169 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: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -837.507928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.507928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.507928 (E_RNA) where: Base-Base interactions energy: -412.376 where: short stacking energy: -244.263 Base-Backbone interact. energy: -0.223 local terms energy: -424.909522 where: bonds (distance) C4'-P energy: -98.867 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -124.253 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: 5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2742.070641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.070641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.070641 (E_RNA) where: Base-Base interactions energy: -1863.324 where: short stacking energy: -837.893 Base-Backbone interact. energy: -4.095 local terms energy: -874.651702 where: bonds (distance) C4'-P energy: -142.271 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -186.827 flat angles P-C4'-P energy: -119.230 tors. eta vs tors. theta energy: -268.733 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: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2674.367882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.367882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.367882 (E_RNA) where: Base-Base interactions energy: -1881.530 where: short stacking energy: -758.551 Base-Backbone interact. energy: -2.882 local terms energy: -789.955798 where: bonds (distance) C4'-P energy: -151.394 bonds (distance) P-C4' energy: -140.792 flat angles C4'-P-C4' energy: -175.501 flat angles P-C4'-P energy: -110.242 tors. eta vs tors. theta energy: -212.027 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2444.159926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.159926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.159926 (E_RNA) where: Base-Base interactions energy: -1709.127 where: short stacking energy: -715.160 Base-Backbone interact. energy: -4.669 local terms energy: -730.363480 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -128.032 flat angles C4'-P-C4' energy: -164.613 flat angles P-C4'-P energy: -110.645 tors. eta vs tors. theta energy: -190.374 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: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2418.903710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.903710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.903710 (E_RNA) where: Base-Base interactions energy: -1639.402 where: short stacking energy: -709.667 Base-Backbone interact. energy: -4.211 local terms energy: -775.290276 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -134.095 flat angles C4'-P-C4' energy: -166.119 flat angles P-C4'-P energy: -119.487 tors. eta vs tors. theta energy: -208.872 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: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2157.820629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.820629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.820629 (E_RNA) where: Base-Base interactions energy: -1477.446 where: short stacking energy: -633.412 Base-Backbone interact. energy: -3.301 local terms energy: -677.073388 where: bonds (distance) C4'-P energy: -131.025 bonds (distance) P-C4' energy: -142.553 flat angles C4'-P-C4' energy: -150.517 flat angles P-C4'-P energy: -93.995 tors. eta vs tors. theta energy: -158.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2080.649368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.649368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.649368 (E_RNA) where: Base-Base interactions energy: -1417.113 where: short stacking energy: -636.649 Base-Backbone interact. energy: 3.814 local terms energy: -667.350351 where: bonds (distance) C4'-P energy: -122.582 bonds (distance) P-C4' energy: -135.941 flat angles C4'-P-C4' energy: -158.915 flat angles P-C4'-P energy: -79.535 tors. eta vs tors. theta energy: -170.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1825.532033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.532033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.532033 (E_RNA) where: Base-Base interactions energy: -1208.043 where: short stacking energy: -549.504 Base-Backbone interact. energy: -0.574 local terms energy: -616.914391 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -147.404 flat angles C4'-P-C4' energy: -145.128 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -141.467 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: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1517.692921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.692921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.692921 (E_RNA) where: Base-Base interactions energy: -978.330 where: short stacking energy: -433.852 Base-Backbone interact. energy: -2.471 local terms energy: -536.891659 where: bonds (distance) C4'-P energy: -125.217 bonds (distance) P-C4' energy: -136.854 flat angles C4'-P-C4' energy: -114.765 flat angles P-C4'-P energy: -79.014 tors. eta vs tors. theta energy: -81.043 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: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1099.677655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.677655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.677655 (E_RNA) where: Base-Base interactions energy: -642.270 where: short stacking energy: -302.368 Base-Backbone interact. energy: -2.594 local terms energy: -454.813480 where: bonds (distance) C4'-P energy: -105.477 bonds (distance) P-C4' energy: -141.865 flat angles C4'-P-C4' energy: -103.487 flat angles P-C4'-P energy: -71.112 tors. eta vs tors. theta energy: -32.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -839.389524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.389524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.389524 (E_RNA) where: Base-Base interactions energy: -406.517 where: short stacking energy: -236.452 Base-Backbone interact. energy: 1.709 local terms energy: -434.581601 where: bonds (distance) C4'-P energy: -117.533 bonds (distance) P-C4' energy: -123.033 flat angles C4'-P-C4' energy: -118.763 flat angles P-C4'-P energy: -66.827 tors. eta vs tors. theta energy: -8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2734.951345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.951345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.951345 (E_RNA) where: Base-Base interactions energy: -1872.027 where: short stacking energy: -845.281 Base-Backbone interact. energy: -1.296 local terms energy: -861.629070 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -185.246 flat angles P-C4'-P energy: -126.539 tors. eta vs tors. theta energy: -259.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2661.961402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.961402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.961402 (E_RNA) where: Base-Base interactions energy: -1845.982 where: short stacking energy: -771.513 Base-Backbone interact. energy: -5.483 local terms energy: -810.496254 where: bonds (distance) C4'-P energy: -133.841 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -179.489 flat angles P-C4'-P energy: -125.036 tors. eta vs tors. theta energy: -213.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2439.702271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.702271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.702271 (E_RNA) where: Base-Base interactions energy: -1684.118 where: short stacking energy: -700.234 Base-Backbone interact. energy: -4.027 local terms energy: -751.557631 where: bonds (distance) C4'-P energy: -138.772 bonds (distance) P-C4' energy: -152.222 flat angles C4'-P-C4' energy: -172.766 flat angles P-C4'-P energy: -95.604 tors. eta vs tors. theta energy: -192.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2395.553966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.553966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.553966 (E_RNA) where: Base-Base interactions energy: -1660.437 where: short stacking energy: -683.819 Base-Backbone interact. energy: -1.684 local terms energy: -733.433096 where: bonds (distance) C4'-P energy: -130.312 bonds (distance) P-C4' energy: -153.072 flat angles C4'-P-C4' energy: -164.103 flat angles P-C4'-P energy: -93.445 tors. eta vs tors. theta energy: -192.502 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: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2148.370999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.370999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.370999 (E_RNA) where: Base-Base interactions energy: -1450.133 where: short stacking energy: -628.916 Base-Backbone interact. energy: -0.400 local terms energy: -697.837628 where: bonds (distance) C4'-P energy: -136.416 bonds (distance) P-C4' energy: -135.320 flat angles C4'-P-C4' energy: -159.029 flat angles P-C4'-P energy: -91.769 tors. eta vs tors. theta energy: -175.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2023.857174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.857174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.857174 (E_RNA) where: Base-Base interactions energy: -1371.133 where: short stacking energy: -593.687 Base-Backbone interact. energy: 3.186 local terms energy: -655.909892 where: bonds (distance) C4'-P energy: -123.572 bonds (distance) P-C4' energy: -131.493 flat angles C4'-P-C4' energy: -152.667 flat angles P-C4'-P energy: -88.403 tors. eta vs tors. theta energy: -159.774 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: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1782.389318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.389318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.389318 (E_RNA) where: Base-Base interactions energy: -1177.686 where: short stacking energy: -518.563 Base-Backbone interact. energy: -0.933 local terms energy: -603.769672 where: bonds (distance) C4'-P energy: -127.228 bonds (distance) P-C4' energy: -124.243 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -98.334 tors. eta vs tors. theta energy: -116.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1526.323292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.323292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.323292 (E_RNA) where: Base-Base interactions energy: -992.582 where: short stacking energy: -450.889 Base-Backbone interact. energy: -4.046 local terms energy: -529.694956 where: bonds (distance) C4'-P energy: -116.724 bonds (distance) P-C4' energy: -137.435 flat angles C4'-P-C4' energy: -116.129 flat angles P-C4'-P energy: -64.825 tors. eta vs tors. theta energy: -94.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1053.664692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.664692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.664692 (E_RNA) where: Base-Base interactions energy: -581.797 where: short stacking energy: -291.479 Base-Backbone interact. energy: 3.640 local terms energy: -475.508543 where: bonds (distance) C4'-P energy: -125.413 bonds (distance) P-C4' energy: -117.454 flat angles C4'-P-C4' energy: -131.403 flat angles P-C4'-P energy: -82.429 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -883.480364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.480364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.480364 (E_RNA) where: Base-Base interactions energy: -472.125 where: short stacking energy: -232.231 Base-Backbone interact. energy: -0.848 local terms energy: -410.507229 where: bonds (distance) C4'-P energy: -114.721 bonds (distance) P-C4' energy: -120.446 flat angles C4'-P-C4' energy: -102.862 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -7.852 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: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2717.617780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.617780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.617780 (E_RNA) where: Base-Base interactions energy: -1859.855 where: short stacking energy: -822.730 Base-Backbone interact. energy: -3.114 local terms energy: -854.648818 where: bonds (distance) C4'-P energy: -141.463 bonds (distance) P-C4' energy: -157.647 flat angles C4'-P-C4' energy: -175.946 flat angles P-C4'-P energy: -130.173 tors. eta vs tors. theta energy: -249.420 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: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2649.966403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.966403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.966403 (E_RNA) where: Base-Base interactions energy: -1862.800 where: short stacking energy: -772.812 Base-Backbone interact. energy: -2.657 local terms energy: -784.509089 where: bonds (distance) C4'-P energy: -133.784 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -178.222 flat angles P-C4'-P energy: -110.593 tors. eta vs tors. theta energy: -216.705 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: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2465.309109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.309109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.309109 (E_RNA) where: Base-Base interactions energy: -1728.203 where: short stacking energy: -680.040 Base-Backbone interact. energy: -0.005 local terms energy: -737.101771 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -140.568 flat angles C4'-P-C4' energy: -166.898 flat angles P-C4'-P energy: -112.661 tors. eta vs tors. theta energy: -184.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2402.482458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.482458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.482458 (E_RNA) where: Base-Base interactions energy: -1662.828 where: short stacking energy: -695.767 Base-Backbone interact. energy: -4.263 local terms energy: -735.391345 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -121.233 flat angles C4'-P-C4' energy: -179.271 flat angles P-C4'-P energy: -100.260 tors. eta vs tors. theta energy: -193.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2139.216545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.216545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.216545 (E_RNA) where: Base-Base interactions energy: -1442.188 where: short stacking energy: -632.838 Base-Backbone interact. energy: -3.663 local terms energy: -693.365591 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -145.262 flat angles C4'-P-C4' energy: -143.156 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -163.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2092.121473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.121473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.121473 (E_RNA) where: Base-Base interactions energy: -1417.297 where: short stacking energy: -617.132 Base-Backbone interact. energy: -4.573 local terms energy: -670.250926 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -139.680 flat angles C4'-P-C4' energy: -146.716 flat angles P-C4'-P energy: -97.690 tors. eta vs tors. theta energy: -164.495 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: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1772.072478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.072478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.072478 (E_RNA) where: Base-Base interactions energy: -1179.597 where: short stacking energy: -514.881 Base-Backbone interact. energy: 0.744 local terms energy: -593.220028 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -83.049 tors. eta vs tors. theta energy: -117.624 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: 406 Temperature: 1.250000 Total energy: -1530.508386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.508386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.508386 (E_RNA) where: Base-Base interactions energy: -969.994 where: short stacking energy: -426.927 Base-Backbone interact. energy: -1.889 local terms energy: -558.624971 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -123.685 flat angles P-C4'-P energy: -83.142 tors. eta vs tors. theta energy: -87.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1023.763551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.763551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.763551 (E_RNA) where: Base-Base interactions energy: -536.296 where: short stacking energy: -309.576 Base-Backbone interact. energy: -3.490 local terms energy: -483.977507 where: bonds (distance) C4'-P energy: -142.073 bonds (distance) P-C4' energy: -108.510 flat angles C4'-P-C4' energy: -128.273 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: -38.465 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: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -941.051181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.051181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.051181 (E_RNA) where: Base-Base interactions energy: -513.160 where: short stacking energy: -265.910 Base-Backbone interact. energy: 4.249 local terms energy: -432.139900 where: bonds (distance) C4'-P energy: -133.830 bonds (distance) P-C4' energy: -116.361 flat angles C4'-P-C4' energy: -119.059 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -3.062 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: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2724.627644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.627644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.627644 (E_RNA) where: Base-Base interactions energy: -1881.335 where: short stacking energy: -847.116 Base-Backbone interact. energy: -1.666 local terms energy: -841.626776 where: bonds (distance) C4'-P energy: -146.788 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -182.297 flat angles P-C4'-P energy: -116.470 tors. eta vs tors. theta energy: -250.716 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: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2652.087356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.087356 (E_RNA) where: Base-Base interactions energy: -1841.780 where: short stacking energy: -755.719 Base-Backbone interact. energy: -1.564 local terms energy: -808.743250 where: bonds (distance) C4'-P energy: -148.170 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -182.008 flat angles P-C4'-P energy: -120.127 tors. eta vs tors. theta energy: -213.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2427.480496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.480496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.480496 (E_RNA) where: Base-Base interactions energy: -1702.567 where: short stacking energy: -710.850 Base-Backbone interact. energy: -0.068 local terms energy: -724.845039 where: bonds (distance) C4'-P energy: -132.091 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -159.761 flat angles P-C4'-P energy: -98.017 tors. eta vs tors. theta energy: -180.420 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: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2416.291866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.291866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.291866 (E_RNA) where: Base-Base interactions energy: -1683.825 where: short stacking energy: -712.112 Base-Backbone interact. energy: -3.223 local terms energy: -729.243683 where: bonds (distance) C4'-P energy: -142.956 bonds (distance) P-C4' energy: -132.088 flat angles C4'-P-C4' energy: -154.157 flat angles P-C4'-P energy: -97.961 tors. eta vs tors. theta energy: -202.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2156.541662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.541662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.541662 (E_RNA) where: Base-Base interactions energy: -1457.285 where: short stacking energy: -607.375 Base-Backbone interact. energy: 1.124 local terms energy: -700.380701 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -168.678 flat angles P-C4'-P energy: -100.464 tors. eta vs tors. theta energy: -157.418 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: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2083.539390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.539390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.539390 (E_RNA) where: Base-Base interactions energy: -1402.257 where: short stacking energy: -609.188 Base-Backbone interact. energy: -3.505 local terms energy: -677.776831 where: bonds (distance) C4'-P energy: -148.381 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -151.346 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -170.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1811.167922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.167922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.167922 (E_RNA) where: Base-Base interactions energy: -1173.340 where: short stacking energy: -520.279 Base-Backbone interact. energy: -2.019 local terms energy: -635.809370 where: bonds (distance) C4'-P energy: -133.918 bonds (distance) P-C4' energy: -135.902 flat angles C4'-P-C4' energy: -139.084 flat angles P-C4'-P energy: -98.683 tors. eta vs tors. theta energy: -128.222 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: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1536.012427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.012427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.012427 (E_RNA) where: Base-Base interactions energy: -966.648 where: short stacking energy: -428.974 Base-Backbone interact. energy: -0.580 local terms energy: -568.784282 where: bonds (distance) C4'-P energy: -129.090 bonds (distance) P-C4' energy: -124.842 flat angles C4'-P-C4' energy: -133.679 flat angles P-C4'-P energy: -98.088 tors. eta vs tors. theta energy: -83.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -958.380708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.380708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.380708 (E_RNA) where: Base-Base interactions energy: -529.104 where: short stacking energy: -290.759 Base-Backbone interact. energy: -0.052 local terms energy: -429.224488 where: bonds (distance) C4'-P energy: -106.745 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -111.455 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -933.255078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.255078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.255078 (E_RNA) where: Base-Base interactions energy: -499.782 where: short stacking energy: -275.948 Base-Backbone interact. energy: -0.702 local terms energy: -432.771680 where: bonds (distance) C4'-P energy: -138.232 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -22.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2718.740982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.740982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.740982 (E_RNA) where: Base-Base interactions energy: -1844.408 where: short stacking energy: -854.315 Base-Backbone interact. energy: -3.356 local terms energy: -870.977407 where: bonds (distance) C4'-P energy: -161.930 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -181.510 flat angles P-C4'-P energy: -118.882 tors. eta vs tors. theta energy: -259.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2640.582010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.582010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.582010 (E_RNA) where: Base-Base interactions energy: -1828.373 where: short stacking energy: -747.908 Base-Backbone interact. energy: -4.848 local terms energy: -807.360985 where: bonds (distance) C4'-P energy: -146.306 bonds (distance) P-C4' energy: -157.093 flat angles C4'-P-C4' energy: -172.838 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -217.327 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: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2541.752036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.752036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.752036 (E_RNA) where: Base-Base interactions energy: -1758.836 where: short stacking energy: -748.606 Base-Backbone interact. energy: -1.895 local terms energy: -781.020590 where: bonds (distance) C4'-P energy: -151.422 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -161.559 flat angles P-C4'-P energy: -111.860 tors. eta vs tors. theta energy: -212.154 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: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2369.603299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.603299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.603299 (E_RNA) where: Base-Base interactions energy: -1670.195 where: short stacking energy: -706.372 Base-Backbone interact. energy: 0.280 local terms energy: -699.687795 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -136.939 flat angles C4'-P-C4' energy: -166.191 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -182.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2161.009430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.009430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.009430 (E_RNA) where: Base-Base interactions energy: -1467.269 where: short stacking energy: -635.417 Base-Backbone interact. energy: -3.468 local terms energy: -690.272888 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -131.988 flat angles C4'-P-C4' energy: -151.276 flat angles P-C4'-P energy: -106.057 tors. eta vs tors. theta energy: -162.868 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2110.502371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.502371 (E_RNA) where: Base-Base interactions energy: -1428.871 where: short stacking energy: -630.716 Base-Backbone interact. energy: -0.675 local terms energy: -680.956364 where: bonds (distance) C4'-P energy: -129.767 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -162.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1879.624077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.624077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.624077 (E_RNA) where: Base-Base interactions energy: -1243.968 where: short stacking energy: -511.097 Base-Backbone interact. energy: -5.238 local terms energy: -630.417407 where: bonds (distance) C4'-P energy: -116.105 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -145.511 flat angles P-C4'-P energy: -90.359 tors. eta vs tors. theta energy: -130.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1582.262627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.262627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.262627 (E_RNA) where: Base-Base interactions energy: -1018.811 where: short stacking energy: -472.599 Base-Backbone interact. energy: 5.958 local terms energy: -569.410223 where: bonds (distance) C4'-P energy: -141.251 bonds (distance) P-C4' energy: -127.602 flat angles C4'-P-C4' energy: -132.095 flat angles P-C4'-P energy: -69.133 tors. eta vs tors. theta energy: -99.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -976.650881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.650881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.650881 (E_RNA) where: Base-Base interactions energy: -509.787 where: short stacking energy: -260.527 Base-Backbone interact. energy: 0.143 local terms energy: -467.006530 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -144.415 flat angles C4'-P-C4' energy: -123.892 flat angles P-C4'-P energy: -59.985 tors. eta vs tors. theta energy: -23.677 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: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -906.991106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.991106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.991106 (E_RNA) where: Base-Base interactions energy: -491.985 where: short stacking energy: -244.032 Base-Backbone interact. energy: 2.208 local terms energy: -417.213901 where: bonds (distance) C4'-P energy: -130.060 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -58.505 tors. eta vs tors. theta energy: -8.432 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: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2729.558632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.558632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.558632 (E_RNA) where: Base-Base interactions energy: -1847.970 where: short stacking energy: -844.413 Base-Backbone interact. energy: -3.685 local terms energy: -877.903639 where: bonds (distance) C4'-P energy: -154.588 bonds (distance) P-C4' energy: -159.704 flat angles C4'-P-C4' energy: -170.815 flat angles P-C4'-P energy: -134.633 tors. eta vs tors. theta energy: -258.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2625.930056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.930056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.930056 (E_RNA) where: Base-Base interactions energy: -1836.231 where: short stacking energy: -765.668 Base-Backbone interact. energy: -3.932 local terms energy: -785.766424 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -170.695 flat angles P-C4'-P energy: -99.436 tors. eta vs tors. theta energy: -218.442 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: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2468.960341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.960341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.960341 (E_RNA) where: Base-Base interactions energy: -1683.532 where: short stacking energy: -756.858 Base-Backbone interact. energy: -1.217 local terms energy: -784.210430 where: bonds (distance) C4'-P energy: -153.029 bonds (distance) P-C4' energy: -155.039 flat angles C4'-P-C4' energy: -155.877 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -216.940 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: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2352.448335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.448335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.448335 (E_RNA) where: Base-Base interactions energy: -1612.754 where: short stacking energy: -651.022 Base-Backbone interact. energy: -1.720 local terms energy: -737.973954 where: bonds (distance) C4'-P energy: -143.696 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -158.856 flat angles P-C4'-P energy: -117.098 tors. eta vs tors. theta energy: -173.962 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: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2242.201983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.201983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.201983 (E_RNA) where: Base-Base interactions energy: -1504.447 where: short stacking energy: -666.471 Base-Backbone interact. energy: -0.430 local terms energy: -737.324654 where: bonds (distance) C4'-P energy: -142.837 bonds (distance) P-C4' energy: -138.585 flat angles C4'-P-C4' energy: -156.274 flat angles P-C4'-P energy: -101.494 tors. eta vs tors. theta energy: -198.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2043.309172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.309172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.309172 (E_RNA) where: Base-Base interactions energy: -1363.733 where: short stacking energy: -615.445 Base-Backbone interact. energy: 1.658 local terms energy: -681.234137 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -152.845 flat angles P-C4'-P energy: -79.657 tors. eta vs tors. theta energy: -174.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1857.072339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.072339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.072339 (E_RNA) where: Base-Base interactions energy: -1213.287 where: short stacking energy: -561.412 Base-Backbone interact. energy: 0.623 local terms energy: -644.408486 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -139.348 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -101.889 tors. eta vs tors. theta energy: -148.233 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: 409 Temperature: 1.250000 Total energy: -1660.707340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.707340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.707340 (E_RNA) where: Base-Base interactions energy: -1087.861 where: short stacking energy: -476.970 Base-Backbone interact. energy: -1.351 local terms energy: -571.495724 where: bonds (distance) C4'-P energy: -114.424 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -144.025 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -108.097 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: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -958.661015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.661015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.661015 (E_RNA) where: Base-Base interactions energy: -503.956 where: short stacking energy: -260.476 Base-Backbone interact. energy: 8.218 local terms energy: -462.923342 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -132.293 flat angles C4'-P-C4' energy: -122.087 flat angles P-C4'-P energy: -62.217 tors. eta vs tors. theta energy: -11.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -932.328096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.328096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.328096 (E_RNA) where: Base-Base interactions energy: -487.580 where: short stacking energy: -235.357 Base-Backbone interact. energy: 0.871 local terms energy: -445.619352 where: bonds (distance) C4'-P energy: -119.094 bonds (distance) P-C4' energy: -139.581 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -82.827 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2694.532046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.532046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.532046 (E_RNA) where: Base-Base interactions energy: -1833.701 where: short stacking energy: -831.015 Base-Backbone interact. energy: -3.124 local terms energy: -857.706973 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -165.452 flat angles C4'-P-C4' energy: -177.575 flat angles P-C4'-P energy: -117.932 tors. eta vs tors. theta energy: -241.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2617.098680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.098680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.098680 (E_RNA) where: Base-Base interactions energy: -1836.185 where: short stacking energy: -773.406 Base-Backbone interact. energy: 0.579 local terms energy: -781.492596 where: bonds (distance) C4'-P energy: -136.739 bonds (distance) P-C4' energy: -150.300 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -111.036 tors. eta vs tors. theta energy: -221.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2424.997258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.997258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.997258 (E_RNA) where: Base-Base interactions energy: -1646.645 where: short stacking energy: -719.893 Base-Backbone interact. energy: -2.592 local terms energy: -775.760405 where: bonds (distance) C4'-P energy: -134.622 bonds (distance) P-C4' energy: -159.450 flat angles C4'-P-C4' energy: -162.948 flat angles P-C4'-P energy: -116.538 tors. eta vs tors. theta energy: -202.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2339.981972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.981972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.981972 (E_RNA) where: Base-Base interactions energy: -1636.501 where: short stacking energy: -682.907 Base-Backbone interact. energy: 2.012 local terms energy: -705.492946 where: bonds (distance) C4'-P energy: -145.825 bonds (distance) P-C4' energy: -133.947 flat angles C4'-P-C4' energy: -149.729 flat angles P-C4'-P energy: -105.001 tors. eta vs tors. theta energy: -170.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2183.710313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.710313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.710313 (E_RNA) where: Base-Base interactions energy: -1451.841 where: short stacking energy: -627.848 Base-Backbone interact. energy: 2.617 local terms energy: -734.485763 where: bonds (distance) C4'-P energy: -148.086 bonds (distance) P-C4' energy: -130.004 flat angles C4'-P-C4' energy: -161.133 flat angles P-C4'-P energy: -103.798 tors. eta vs tors. theta energy: -191.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2051.878371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.878371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.878371 (E_RNA) where: Base-Base interactions energy: -1386.734 where: short stacking energy: -598.148 Base-Backbone interact. energy: 1.671 local terms energy: -666.815826 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -121.650 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -91.517 tors. eta vs tors. theta energy: -160.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1918.483346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.483346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.483346 (E_RNA) where: Base-Base interactions energy: -1250.339 where: short stacking energy: -591.224 Base-Backbone interact. energy: -2.290 local terms energy: -665.853857 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -143.127 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -94.886 tors. eta vs tors. theta energy: -146.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1617.940608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.940608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.940608 (E_RNA) where: Base-Base interactions energy: -1076.696 where: short stacking energy: -474.597 Base-Backbone interact. energy: 8.784 local terms energy: -550.029402 where: bonds (distance) C4'-P energy: -102.667 bonds (distance) P-C4' energy: -128.852 flat angles C4'-P-C4' energy: -130.034 flat angles P-C4'-P energy: -94.326 tors. eta vs tors. theta energy: -94.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1007.155543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.155543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.155543 (E_RNA) where: Base-Base interactions energy: -577.286 where: short stacking energy: -298.586 Base-Backbone interact. energy: 1.045 local terms energy: -430.914320 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -129.170 flat angles C4'-P-C4' energy: -100.633 flat angles P-C4'-P energy: -62.942 tors. eta vs tors. theta energy: -28.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -839.063315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.063315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.063315 (E_RNA) where: Base-Base interactions energy: -427.354 where: short stacking energy: -224.452 Base-Backbone interact. energy: -0.860 local terms energy: -410.849742 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -142.388 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -50.616 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2727.007029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.007029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.007029 (E_RNA) where: Base-Base interactions energy: -1852.917 where: short stacking energy: -808.479 Base-Backbone interact. energy: -3.964 local terms energy: -870.126640 where: bonds (distance) C4'-P energy: -149.326 bonds (distance) P-C4' energy: -164.320 flat angles C4'-P-C4' energy: -190.599 flat angles P-C4'-P energy: -113.418 tors. eta vs tors. theta energy: -252.464 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: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2637.428036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.428036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.428036 (E_RNA) where: Base-Base interactions energy: -1839.021 where: short stacking energy: -786.815 Base-Backbone interact. energy: 1.242 local terms energy: -799.649108 where: bonds (distance) C4'-P energy: -146.987 bonds (distance) P-C4' energy: -158.921 flat angles C4'-P-C4' energy: -169.722 flat angles P-C4'-P energy: -112.778 tors. eta vs tors. theta energy: -211.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2464.006182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.006182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.006182 (E_RNA) where: Base-Base interactions energy: -1673.100 where: short stacking energy: -710.972 Base-Backbone interact. energy: -6.812 local terms energy: -784.094285 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -178.068 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -213.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2342.707878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.707878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.707878 (E_RNA) where: Base-Base interactions energy: -1596.166 where: short stacking energy: -667.441 Base-Backbone interact. energy: -4.794 local terms energy: -741.748103 where: bonds (distance) C4'-P energy: -147.630 bonds (distance) P-C4' energy: -154.660 flat angles C4'-P-C4' energy: -162.137 flat angles P-C4'-P energy: -98.116 tors. eta vs tors. theta energy: -179.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2184.382391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.382391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.382391 (E_RNA) where: Base-Base interactions energy: -1446.915 where: short stacking energy: -630.842 Base-Backbone interact. energy: -0.912 local terms energy: -736.554699 where: bonds (distance) C4'-P energy: -147.839 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -163.462 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -172.035 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: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2019.595077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.595077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.595077 (E_RNA) where: Base-Base interactions energy: -1348.480 where: short stacking energy: -592.991 Base-Backbone interact. energy: -1.579 local terms energy: -669.535859 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -125.429 flat angles C4'-P-C4' energy: -147.741 flat angles P-C4'-P energy: -93.255 tors. eta vs tors. theta energy: -174.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1878.462883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.462883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.462883 (E_RNA) where: Base-Base interactions energy: -1230.147 where: short stacking energy: -537.130 Base-Backbone interact. energy: -2.724 local terms energy: -645.591793 where: bonds (distance) C4'-P energy: -135.642 bonds (distance) P-C4' energy: -146.840 flat angles C4'-P-C4' energy: -146.602 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -127.683 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: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1582.501217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.501217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.501217 (E_RNA) where: Base-Base interactions energy: -1046.060 where: short stacking energy: -444.624 Base-Backbone interact. energy: 3.570 local terms energy: -540.011314 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -141.014 flat angles C4'-P-C4' energy: -126.415 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -92.473 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: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -964.889733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.889733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.889733 (E_RNA) where: Base-Base interactions energy: -516.694 where: short stacking energy: -289.310 Base-Backbone interact. energy: -2.080 local terms energy: -446.115366 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -130.277 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1003.447985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.447985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.447985 (E_RNA) where: Base-Base interactions energy: -594.815 where: short stacking energy: -295.257 Base-Backbone interact. energy: 0.566 local terms energy: -409.198701 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -120.722 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -15.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2759.333417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.333417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.333417 (E_RNA) where: Base-Base interactions energy: -1889.321 where: short stacking energy: -864.025 Base-Backbone interact. energy: -3.423 local terms energy: -866.589475 where: bonds (distance) C4'-P energy: -144.902 bonds (distance) P-C4' energy: -156.975 flat angles C4'-P-C4' energy: -180.933 flat angles P-C4'-P energy: -119.797 tors. eta vs tors. theta energy: -263.983 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: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2635.258136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.258136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.258136 (E_RNA) where: Base-Base interactions energy: -1852.417 where: short stacking energy: -756.400 Base-Backbone interact. energy: -3.212 local terms energy: -779.629929 where: bonds (distance) C4'-P energy: -149.533 bonds (distance) P-C4' energy: -134.498 flat angles C4'-P-C4' energy: -166.781 flat angles P-C4'-P energy: -121.371 tors. eta vs tors. theta energy: -207.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2447.986584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.986584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.986584 (E_RNA) where: Base-Base interactions energy: -1684.697 where: short stacking energy: -718.463 Base-Backbone interact. energy: -1.467 local terms energy: -761.822171 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -167.185 flat angles P-C4'-P energy: -105.866 tors. eta vs tors. theta energy: -196.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2351.117710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.117710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.117710 (E_RNA) where: Base-Base interactions energy: -1606.671 where: short stacking energy: -689.255 Base-Backbone interact. energy: -0.591 local terms energy: -743.855987 where: bonds (distance) C4'-P energy: -144.430 bonds (distance) P-C4' energy: -152.079 flat angles C4'-P-C4' energy: -161.516 flat angles P-C4'-P energy: -103.151 tors. eta vs tors. theta energy: -182.681 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: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2243.882159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.882159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.882159 (E_RNA) where: Base-Base interactions energy: -1505.744 where: short stacking energy: -670.599 Base-Backbone interact. energy: -1.782 local terms energy: -736.356117 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -137.019 flat angles C4'-P-C4' energy: -162.017 flat angles P-C4'-P energy: -108.677 tors. eta vs tors. theta energy: -193.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2011.221936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.221936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.221936 (E_RNA) where: Base-Base interactions energy: -1349.910 where: short stacking energy: -605.022 Base-Backbone interact. energy: 0.551 local terms energy: -661.863643 where: bonds (distance) C4'-P energy: -119.493 bonds (distance) P-C4' energy: -133.139 flat angles C4'-P-C4' energy: -149.982 flat angles P-C4'-P energy: -86.274 tors. eta vs tors. theta energy: -172.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1866.760988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.760988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.760988 (E_RNA) where: Base-Base interactions energy: -1238.776 where: short stacking energy: -551.627 Base-Backbone interact. energy: -2.287 local terms energy: -625.698339 where: bonds (distance) C4'-P energy: -125.035 bonds (distance) P-C4' energy: -126.910 flat angles C4'-P-C4' energy: -141.120 flat angles P-C4'-P energy: -94.785 tors. eta vs tors. theta energy: -137.849 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: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1487.602052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.602052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.602052 (E_RNA) where: Base-Base interactions energy: -992.432 where: short stacking energy: -418.479 Base-Backbone interact. energy: 0.239 local terms energy: -495.408800 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -125.115 flat angles P-C4'-P energy: -72.756 tors. eta vs tors. theta energy: -61.043 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: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1072.057309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.057309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.057309 (E_RNA) where: Base-Base interactions energy: -587.276 where: short stacking energy: -289.488 Base-Backbone interact. energy: 4.986 local terms energy: -489.767653 where: bonds (distance) C4'-P energy: -128.665 bonds (distance) P-C4' energy: -135.057 flat angles C4'-P-C4' energy: -137.924 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -21.611 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: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -875.728592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.728592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.728592 (E_RNA) where: Base-Base interactions energy: -478.170 where: short stacking energy: -228.316 Base-Backbone interact. energy: 0.949 local terms energy: -398.507975 where: bonds (distance) C4'-P energy: -84.481 bonds (distance) P-C4' energy: -140.475 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2751.744345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.744345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.744345 (E_RNA) where: Base-Base interactions energy: -1874.679 where: short stacking energy: -854.858 Base-Backbone interact. energy: -5.241 local terms energy: -871.824374 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -160.349 flat angles C4'-P-C4' energy: -179.751 flat angles P-C4'-P energy: -129.215 tors. eta vs tors. theta energy: -255.636 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: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2643.246709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.246709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.246709 (E_RNA) where: Base-Base interactions energy: -1841.688 where: short stacking energy: -755.429 Base-Backbone interact. energy: -4.673 local terms energy: -796.885409 where: bonds (distance) C4'-P energy: -138.434 bonds (distance) P-C4' energy: -149.840 flat angles C4'-P-C4' energy: -184.637 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -216.052 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: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2478.164549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.164549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.164549 (E_RNA) where: Base-Base interactions energy: -1684.476 where: short stacking energy: -720.231 Base-Backbone interact. energy: -2.186 local terms energy: -791.502229 where: bonds (distance) C4'-P energy: -158.371 bonds (distance) P-C4' energy: -140.580 flat angles C4'-P-C4' energy: -172.903 flat angles P-C4'-P energy: -104.688 tors. eta vs tors. theta energy: -214.960 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: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2305.663001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.663001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.663001 (E_RNA) where: Base-Base interactions energy: -1609.432 where: short stacking energy: -661.354 Base-Backbone interact. energy: 7.579 local terms energy: -703.810109 where: bonds (distance) C4'-P energy: -132.933 bonds (distance) P-C4' energy: -135.219 flat angles C4'-P-C4' energy: -153.723 flat angles P-C4'-P energy: -110.322 tors. eta vs tors. theta energy: -171.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2223.160683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.160683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.160683 (E_RNA) where: Base-Base interactions energy: -1496.217 where: short stacking energy: -621.078 Base-Backbone interact. energy: -4.559 local terms energy: -722.384807 where: bonds (distance) C4'-P energy: -139.659 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -159.053 flat angles P-C4'-P energy: -88.198 tors. eta vs tors. theta energy: -180.310 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: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2078.686508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.686508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.686508 (E_RNA) where: Base-Base interactions energy: -1408.037 where: short stacking energy: -642.831 Base-Backbone interact. energy: 4.626 local terms energy: -675.275431 where: bonds (distance) C4'-P energy: -125.189 bonds (distance) P-C4' energy: -127.197 flat angles C4'-P-C4' energy: -145.228 flat angles P-C4'-P energy: -91.248 tors. eta vs tors. theta energy: -186.413 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: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1832.730510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.730510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.730510 (E_RNA) where: Base-Base interactions energy: -1218.643 where: short stacking energy: -532.756 Base-Backbone interact. energy: 1.539 local terms energy: -615.626265 where: bonds (distance) C4'-P energy: -126.268 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -126.962 flat angles P-C4'-P energy: -90.249 tors. eta vs tors. theta energy: -136.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1496.510147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.510147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.510147 (E_RNA) where: Base-Base interactions energy: -963.796 where: short stacking energy: -437.610 Base-Backbone interact. energy: -0.770 local terms energy: -531.944705 where: bonds (distance) C4'-P energy: -145.468 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -126.219 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: -86.704 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: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -996.308403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.308403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.308403 (E_RNA) where: Base-Base interactions energy: -562.597 where: short stacking energy: -288.558 Base-Backbone interact. energy: -5.129 local terms energy: -428.583050 where: bonds (distance) C4'-P energy: -124.139 bonds (distance) P-C4' energy: -119.094 flat angles C4'-P-C4' energy: -111.732 flat angles P-C4'-P energy: -56.022 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -829.583727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.583727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.583727 (E_RNA) where: Base-Base interactions energy: -405.975 where: short stacking energy: -237.885 Base-Backbone interact. energy: -0.580 local terms energy: -423.029196 where: bonds (distance) C4'-P energy: -121.936 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -103.540 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: 0.599 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: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2769.915725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.915725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.915725 (E_RNA) where: Base-Base interactions energy: -1880.163 where: short stacking energy: -837.337 Base-Backbone interact. energy: -3.594 local terms energy: -886.158290 where: bonds (distance) C4'-P energy: -151.690 bonds (distance) P-C4' energy: -162.437 flat angles C4'-P-C4' energy: -184.649 flat angles P-C4'-P energy: -124.714 tors. eta vs tors. theta energy: -262.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2631.422613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.422613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.422613 (E_RNA) where: Base-Base interactions energy: -1866.134 where: short stacking energy: -754.021 Base-Backbone interact. energy: -6.152 local terms energy: -759.136794 where: bonds (distance) C4'-P energy: -158.127 bonds (distance) P-C4' energy: -132.139 flat angles C4'-P-C4' energy: -160.032 flat angles P-C4'-P energy: -95.837 tors. eta vs tors. theta energy: -213.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2470.703537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.703537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.703537 (E_RNA) where: Base-Base interactions energy: -1686.815 where: short stacking energy: -711.050 Base-Backbone interact. energy: 1.320 local terms energy: -785.208139 where: bonds (distance) C4'-P energy: -133.345 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -169.795 flat angles P-C4'-P energy: -112.597 tors. eta vs tors. theta energy: -217.207 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2294.401763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.401763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.401763 (E_RNA) where: Base-Base interactions energy: -1604.439 where: short stacking energy: -674.821 Base-Backbone interact. energy: 1.693 local terms energy: -691.656021 where: bonds (distance) C4'-P energy: -130.049 bonds (distance) P-C4' energy: -126.219 flat angles C4'-P-C4' energy: -162.478 flat angles P-C4'-P energy: -87.586 tors. eta vs tors. theta energy: -185.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2155.021376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.021376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.021376 (E_RNA) where: Base-Base interactions energy: -1447.674 where: short stacking energy: -635.675 Base-Backbone interact. energy: 1.074 local terms energy: -708.421544 where: bonds (distance) C4'-P energy: -138.213 bonds (distance) P-C4' energy: -139.458 flat angles C4'-P-C4' energy: -162.125 flat angles P-C4'-P energy: -95.729 tors. eta vs tors. theta energy: -172.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2110.927837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.927837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.927837 (E_RNA) where: Base-Base interactions energy: -1446.409 where: short stacking energy: -628.026 Base-Backbone interact. energy: -1.749 local terms energy: -662.769812 where: bonds (distance) C4'-P energy: -128.413 bonds (distance) P-C4' energy: -118.361 flat angles C4'-P-C4' energy: -143.936 flat angles P-C4'-P energy: -101.095 tors. eta vs tors. theta energy: -170.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1884.076225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.076225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.076225 (E_RNA) where: Base-Base interactions energy: -1238.385 where: short stacking energy: -573.537 Base-Backbone interact. energy: -2.787 local terms energy: -642.903814 where: bonds (distance) C4'-P energy: -103.815 bonds (distance) P-C4' energy: -156.009 flat angles C4'-P-C4' energy: -145.302 flat angles P-C4'-P energy: -91.334 tors. eta vs tors. theta energy: -146.445 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: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1450.077971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.077971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.077971 (E_RNA) where: Base-Base interactions energy: -903.165 where: short stacking energy: -418.496 Base-Backbone interact. energy: -2.882 local terms energy: -544.030554 where: bonds (distance) C4'-P energy: -118.290 bonds (distance) P-C4' energy: -137.100 flat angles C4'-P-C4' energy: -134.136 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -74.028 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: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -938.023383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.023383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.023383 (E_RNA) where: Base-Base interactions energy: -503.162 where: short stacking energy: -304.024 Base-Backbone interact. energy: -2.290 local terms energy: -432.571286 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -127.829 flat angles C4'-P-C4' energy: -106.206 flat angles P-C4'-P energy: -38.802 tors. eta vs tors. theta energy: -27.489 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: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -776.666026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.666026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.666026 (E_RNA) where: Base-Base interactions energy: -374.483 where: short stacking energy: -194.701 Base-Backbone interact. energy: 3.093 local terms energy: -405.275793 where: bonds (distance) C4'-P energy: -132.056 bonds (distance) P-C4' energy: -123.669 flat angles C4'-P-C4' energy: -122.964 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: 29.157 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: 1, replica: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2744.050314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.050314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.050314 (E_RNA) where: Base-Base interactions energy: -1881.226 where: short stacking energy: -833.762 Base-Backbone interact. energy: -2.157 local terms energy: -860.667295 where: bonds (distance) C4'-P energy: -144.081 bonds (distance) P-C4' energy: -154.203 flat angles C4'-P-C4' energy: -180.065 flat angles P-C4'-P energy: -130.061 tors. eta vs tors. theta energy: -252.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2639.075979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.075979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.075979 (E_RNA) where: Base-Base interactions energy: -1868.325 where: short stacking energy: -748.969 Base-Backbone interact. energy: -2.848 local terms energy: -767.902374 where: bonds (distance) C4'-P energy: -139.546 bonds (distance) P-C4' energy: -145.142 flat angles C4'-P-C4' energy: -168.877 flat angles P-C4'-P energy: -102.321 tors. eta vs tors. theta energy: -212.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2541.932852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.932852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.932852 (E_RNA) where: Base-Base interactions energy: -1758.186 where: short stacking energy: -733.588 Base-Backbone interact. energy: -3.681 local terms energy: -780.065094 where: bonds (distance) C4'-P energy: -137.580 bonds (distance) P-C4' energy: -147.982 flat angles C4'-P-C4' energy: -167.025 flat angles P-C4'-P energy: -117.430 tors. eta vs tors. theta energy: -210.048 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: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2388.719375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.719375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.719375 (E_RNA) where: Base-Base interactions energy: -1660.945 where: short stacking energy: -697.383 Base-Backbone interact. energy: 2.996 local terms energy: -730.770073 where: bonds (distance) C4'-P energy: -131.706 bonds (distance) P-C4' energy: -149.326 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -195.422 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: 415 Temperature: 1.100000 Total energy: -2134.039457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.039457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.039457 (E_RNA) where: Base-Base interactions energy: -1415.767 where: short stacking energy: -619.185 Base-Backbone interact. energy: -1.943 local terms energy: -716.329828 where: bonds (distance) C4'-P energy: -142.461 bonds (distance) P-C4' energy: -138.906 flat angles C4'-P-C4' energy: -166.738 flat angles P-C4'-P energy: -90.866 tors. eta vs tors. theta energy: -177.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2079.992371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.992371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.992371 (E_RNA) where: Base-Base interactions energy: -1396.066 where: short stacking energy: -583.776 Base-Backbone interact. energy: -3.673 local terms energy: -680.252928 where: bonds (distance) C4'-P energy: -122.315 bonds (distance) P-C4' energy: -137.292 flat angles C4'-P-C4' energy: -156.422 flat angles P-C4'-P energy: -110.390 tors. eta vs tors. theta energy: -153.833 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: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1888.270551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.270551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.270551 (E_RNA) where: Base-Base interactions energy: -1284.767 where: short stacking energy: -556.132 Base-Backbone interact. energy: 0.490 local terms energy: -603.993454 where: bonds (distance) C4'-P energy: -118.961 bonds (distance) P-C4' energy: -133.282 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -88.214 tors. eta vs tors. theta energy: -131.854 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: 415 Temperature: 1.250000 Total energy: -1513.391041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.391041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.391041 (E_RNA) where: Base-Base interactions energy: -969.695 where: short stacking energy: -463.023 Base-Backbone interact. energy: 1.705 local terms energy: -545.400897 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -107.666 flat angles C4'-P-C4' energy: -119.122 flat angles P-C4'-P energy: -82.340 tors. eta vs tors. theta energy: -102.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -983.436993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.436993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.436993 (E_RNA) where: Base-Base interactions energy: -541.342 where: short stacking energy: -294.547 Base-Backbone interact. energy: 4.818 local terms energy: -446.913227 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -131.477 flat angles C4'-P-C4' energy: -101.382 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -10.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -785.734128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.734128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.734128 (E_RNA) where: Base-Base interactions energy: -370.613 where: short stacking energy: -205.175 Base-Backbone interact. energy: 0.559 local terms energy: -415.680155 where: bonds (distance) C4'-P energy: -120.756 bonds (distance) P-C4' energy: -134.154 flat angles C4'-P-C4' energy: -116.967 flat angles P-C4'-P energy: -64.235 tors. eta vs tors. theta energy: 20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2749.472370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.472370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.472370 (E_RNA) where: Base-Base interactions energy: -1877.221 where: short stacking energy: -822.729 Base-Backbone interact. energy: -1.787 local terms energy: -870.464238 where: bonds (distance) C4'-P energy: -136.103 bonds (distance) P-C4' energy: -164.445 flat angles C4'-P-C4' energy: -193.106 flat angles P-C4'-P energy: -113.292 tors. eta vs tors. theta energy: -263.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2640.753464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.753464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.753464 (E_RNA) where: Base-Base interactions energy: -1851.177 where: short stacking energy: -742.043 Base-Backbone interact. energy: 2.748 local terms energy: -792.324229 where: bonds (distance) C4'-P energy: -149.420 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -176.058 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -203.792 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: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2477.031091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.031091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.031091 (E_RNA) where: Base-Base interactions energy: -1693.486 where: short stacking energy: -745.706 Base-Backbone interact. energy: -2.380 local terms energy: -781.164950 where: bonds (distance) C4'-P energy: -131.625 bonds (distance) P-C4' energy: -137.429 flat angles C4'-P-C4' energy: -172.415 flat angles P-C4'-P energy: -125.992 tors. eta vs tors. theta energy: -213.704 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: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2336.893177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.893177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.893177 (E_RNA) where: Base-Base interactions energy: -1627.110 where: short stacking energy: -701.435 Base-Backbone interact. energy: 0.946 local terms energy: -710.729143 where: bonds (distance) C4'-P energy: -133.736 bonds (distance) P-C4' energy: -138.248 flat angles C4'-P-C4' energy: -155.831 flat angles P-C4'-P energy: -97.563 tors. eta vs tors. theta energy: -185.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2085.295303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.295303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.295303 (E_RNA) where: Base-Base interactions energy: -1416.460 where: short stacking energy: -598.951 Base-Backbone interact. energy: -3.242 local terms energy: -665.593302 where: bonds (distance) C4'-P energy: -127.720 bonds (distance) P-C4' energy: -131.863 flat angles C4'-P-C4' energy: -147.203 flat angles P-C4'-P energy: -99.530 tors. eta vs tors. theta energy: -159.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2065.507967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.507967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.507967 (E_RNA) where: Base-Base interactions energy: -1417.776 where: short stacking energy: -616.947 Base-Backbone interact. energy: -1.779 local terms energy: -645.952290 where: bonds (distance) C4'-P energy: -120.550 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -147.104 flat angles P-C4'-P energy: -93.141 tors. eta vs tors. theta energy: -149.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1837.391428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.391428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.391428 (E_RNA) where: Base-Base interactions energy: -1216.742 where: short stacking energy: -531.156 Base-Backbone interact. energy: -5.448 local terms energy: -615.200685 where: bonds (distance) C4'-P energy: -131.964 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -132.989 flat angles P-C4'-P energy: -95.264 tors. eta vs tors. theta energy: -119.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1580.031099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.031099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.031099 (E_RNA) where: Base-Base interactions energy: -1034.233 where: short stacking energy: -470.459 Base-Backbone interact. energy: 1.552 local terms energy: -547.350235 where: bonds (distance) C4'-P energy: -127.808 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -124.826 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -101.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -914.239508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.239508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.239508 (E_RNA) where: Base-Base interactions energy: -462.081 where: short stacking energy: -279.553 Base-Backbone interact. energy: 5.011 local terms energy: -457.170155 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -137.540 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -78.042 tors. eta vs tors. theta energy: -12.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -936.915595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.915595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.915595 (E_RNA) where: Base-Base interactions energy: -494.810 where: short stacking energy: -262.140 Base-Backbone interact. energy: 10.062 local terms energy: -452.167481 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -123.586 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -83.511 tors. eta vs tors. theta energy: -15.489 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: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2761.708898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.708898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.708898 (E_RNA) where: Base-Base interactions energy: -1860.120 where: short stacking energy: -834.483 Base-Backbone interact. energy: -3.655 local terms energy: -897.933820 where: bonds (distance) C4'-P energy: -163.020 bonds (distance) P-C4' energy: -154.124 flat angles C4'-P-C4' energy: -182.853 flat angles P-C4'-P energy: -133.582 tors. eta vs tors. theta energy: -264.355 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2662.263242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.263242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.263242 (E_RNA) where: Base-Base interactions energy: -1871.510 where: short stacking energy: -762.428 Base-Backbone interact. energy: 1.569 local terms energy: -792.322209 where: bonds (distance) C4'-P energy: -129.855 bonds (distance) P-C4' energy: -159.774 flat angles C4'-P-C4' energy: -173.260 flat angles P-C4'-P energy: -108.786 tors. eta vs tors. theta energy: -220.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2470.177646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.177646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.177646 (E_RNA) where: Base-Base interactions energy: -1676.982 where: short stacking energy: -713.204 Base-Backbone interact. energy: -5.553 local terms energy: -787.643281 where: bonds (distance) C4'-P energy: -146.520 bonds (distance) P-C4' energy: -157.595 flat angles C4'-P-C4' energy: -163.076 flat angles P-C4'-P energy: -104.989 tors. eta vs tors. theta energy: -215.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2347.537626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.537626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.537626 (E_RNA) where: Base-Base interactions energy: -1652.981 where: short stacking energy: -698.084 Base-Backbone interact. energy: -2.295 local terms energy: -692.261654 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -97.447 tors. eta vs tors. theta energy: -187.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2148.223860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.223860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.223860 (E_RNA) where: Base-Base interactions energy: -1456.727 where: short stacking energy: -644.276 Base-Backbone interact. energy: 3.334 local terms energy: -694.831498 where: bonds (distance) C4'-P energy: -148.182 bonds (distance) P-C4' energy: -125.024 flat angles C4'-P-C4' energy: -158.886 flat angles P-C4'-P energy: -84.711 tors. eta vs tors. theta energy: -178.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1923.301081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.301081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.301081 (E_RNA) where: Base-Base interactions energy: -1295.151 where: short stacking energy: -589.963 Base-Backbone interact. energy: -0.944 local terms energy: -627.205818 where: bonds (distance) C4'-P energy: -126.961 bonds (distance) P-C4' energy: -124.856 flat angles C4'-P-C4' energy: -139.107 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -147.728 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: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1975.532026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.532026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.532026 (E_RNA) where: Base-Base interactions energy: -1366.029 where: short stacking energy: -576.667 Base-Backbone interact. energy: -2.160 local terms energy: -607.342903 where: bonds (distance) C4'-P energy: -125.330 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -138.652 flat angles P-C4'-P energy: -84.551 tors. eta vs tors. theta energy: -149.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1532.554460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.554460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.554460 (E_RNA) where: Base-Base interactions energy: -971.704 where: short stacking energy: -440.198 Base-Backbone interact. energy: -1.294 local terms energy: -559.556449 where: bonds (distance) C4'-P energy: -111.605 bonds (distance) P-C4' energy: -136.873 flat angles C4'-P-C4' energy: -152.085 flat angles P-C4'-P energy: -86.322 tors. eta vs tors. theta energy: -72.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -951.904908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.904908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.904908 (E_RNA) where: Base-Base interactions energy: -500.261 where: short stacking energy: -259.565 Base-Backbone interact. energy: 3.986 local terms energy: -455.630185 where: bonds (distance) C4'-P energy: -131.477 bonds (distance) P-C4' energy: -145.069 flat angles C4'-P-C4' energy: -119.011 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: 1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -989.907220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.907220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.907220 (E_RNA) where: Base-Base interactions energy: -540.587 where: short stacking energy: -271.643 Base-Backbone interact. energy: -3.679 local terms energy: -445.641208 where: bonds (distance) C4'-P energy: -127.885 bonds (distance) P-C4' energy: -113.936 flat angles C4'-P-C4' energy: -122.840 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -10.400 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: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2751.059025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.059025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.059025 (E_RNA) where: Base-Base interactions energy: -1882.608 where: short stacking energy: -867.479 Base-Backbone interact. energy: 0.147 local terms energy: -868.597783 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -156.353 flat angles C4'-P-C4' energy: -180.189 flat angles P-C4'-P energy: -116.858 tors. eta vs tors. theta energy: -268.185 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: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2659.536895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.536895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.536895 (E_RNA) where: Base-Base interactions energy: -1876.057 where: short stacking energy: -767.587 Base-Backbone interact. energy: -6.785 local terms energy: -776.695132 where: bonds (distance) C4'-P energy: -150.138 bonds (distance) P-C4' energy: -158.844 flat angles C4'-P-C4' energy: -157.903 flat angles P-C4'-P energy: -108.411 tors. eta vs tors. theta energy: -201.400 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: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2456.955853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.955853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.955853 (E_RNA) where: Base-Base interactions energy: -1698.199 where: short stacking energy: -725.827 Base-Backbone interact. energy: -3.222 local terms energy: -755.534813 where: bonds (distance) C4'-P energy: -135.565 bonds (distance) P-C4' energy: -138.485 flat angles C4'-P-C4' energy: -159.808 flat angles P-C4'-P energy: -115.806 tors. eta vs tors. theta energy: -205.870 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: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2308.763954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.763954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.763954 (E_RNA) where: Base-Base interactions energy: -1628.495 where: short stacking energy: -628.126 Base-Backbone interact. energy: -3.340 local terms energy: -676.928575 where: bonds (distance) C4'-P energy: -129.427 bonds (distance) P-C4' energy: -136.156 flat angles C4'-P-C4' energy: -154.696 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -169.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2137.085931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.085931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.085931 (E_RNA) where: Base-Base interactions energy: -1453.432 where: short stacking energy: -627.445 Base-Backbone interact. energy: -3.707 local terms energy: -679.947452 where: bonds (distance) C4'-P energy: -138.488 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -157.803 flat angles P-C4'-P energy: -100.681 tors. eta vs tors. theta energy: -165.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1978.422686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.422686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.422686 (E_RNA) where: Base-Base interactions energy: -1294.514 where: short stacking energy: -568.129 Base-Backbone interact. energy: -2.530 local terms energy: -681.378831 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -102.223 tors. eta vs tors. theta energy: -144.746 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: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2002.097005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.097005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.097005 (E_RNA) where: Base-Base interactions energy: -1375.953 where: short stacking energy: -592.457 Base-Backbone interact. energy: 0.864 local terms energy: -627.007823 where: bonds (distance) C4'-P energy: -125.581 bonds (distance) P-C4' energy: -134.424 flat angles C4'-P-C4' energy: -125.451 flat angles P-C4'-P energy: -90.192 tors. eta vs tors. theta energy: -151.359 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: 418 Temperature: 1.250000 Total energy: -1470.150066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.150066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.150066 (E_RNA) where: Base-Base interactions energy: -935.228 where: short stacking energy: -439.773 Base-Backbone interact. energy: 4.144 local terms energy: -539.065403 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -127.413 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -74.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -987.094526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.094526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.094526 (E_RNA) where: Base-Base interactions energy: -561.432 where: short stacking energy: -279.859 Base-Backbone interact. energy: -1.786 local terms energy: -423.876909 where: bonds (distance) C4'-P energy: -109.607 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -121.514 flat angles P-C4'-P energy: -54.485 tors. eta vs tors. theta energy: -17.112 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: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -935.583905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.583905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.583905 (E_RNA) where: Base-Base interactions energy: -510.968 where: short stacking energy: -263.966 Base-Backbone interact. energy: 0.908 local terms energy: -425.523562 where: bonds (distance) C4'-P energy: -114.644 bonds (distance) P-C4' energy: -133.363 flat angles C4'-P-C4' energy: -107.312 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -12.194 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: 1, replica: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2778.487714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.487714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.487714 (E_RNA) where: Base-Base interactions energy: -1888.682 where: short stacking energy: -843.010 Base-Backbone interact. energy: -2.577 local terms energy: -887.228788 where: bonds (distance) C4'-P energy: -163.041 bonds (distance) P-C4' energy: -156.674 flat angles C4'-P-C4' energy: -173.698 flat angles P-C4'-P energy: -123.982 tors. eta vs tors. theta energy: -269.834 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: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2636.976198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.976198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.976198 (E_RNA) where: Base-Base interactions energy: -1833.213 where: short stacking energy: -730.203 Base-Backbone interact. energy: 5.043 local terms energy: -808.805954 where: bonds (distance) C4'-P energy: -161.803 bonds (distance) P-C4' energy: -162.698 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -106.237 tors. eta vs tors. theta energy: -202.791 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: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2472.865980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.865980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.865980 (E_RNA) where: Base-Base interactions energy: -1678.723 where: short stacking energy: -725.867 Base-Backbone interact. energy: -1.561 local terms energy: -792.581890 where: bonds (distance) C4'-P energy: -145.058 bonds (distance) P-C4' energy: -140.143 flat angles C4'-P-C4' energy: -180.267 flat angles P-C4'-P energy: -120.874 tors. eta vs tors. theta energy: -206.240 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2353.253892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.253892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.253892 (E_RNA) where: Base-Base interactions energy: -1651.286 where: short stacking energy: -677.926 Base-Backbone interact. energy: -4.064 local terms energy: -697.904052 where: bonds (distance) C4'-P energy: -121.300 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -156.681 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -164.418 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: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2130.227083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.227083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.227083 (E_RNA) where: Base-Base interactions energy: -1441.896 where: short stacking energy: -642.680 Base-Backbone interact. energy: -1.515 local terms energy: -686.815487 where: bonds (distance) C4'-P energy: -127.177 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -150.730 flat angles P-C4'-P energy: -106.362 tors. eta vs tors. theta energy: -171.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2071.409073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.409073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.409073 (E_RNA) where: Base-Base interactions energy: -1391.991 where: short stacking energy: -598.887 Base-Backbone interact. energy: -2.034 local terms energy: -677.383875 where: bonds (distance) C4'-P energy: -127.557 bonds (distance) P-C4' energy: -147.428 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -164.493 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: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1893.011668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.011668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.011668 (E_RNA) where: Base-Base interactions energy: -1263.176 where: short stacking energy: -562.633 Base-Backbone interact. energy: -1.606 local terms energy: -628.229383 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -108.819 flat angles C4'-P-C4' energy: -148.405 flat angles P-C4'-P energy: -101.795 tors. eta vs tors. theta energy: -138.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1397.748304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.748304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.748304 (E_RNA) where: Base-Base interactions energy: -881.709 where: short stacking energy: -446.272 Base-Backbone interact. energy: -3.733 local terms energy: -512.306645 where: bonds (distance) C4'-P energy: -114.568 bonds (distance) P-C4' energy: -121.377 flat angles C4'-P-C4' energy: -135.994 flat angles P-C4'-P energy: -65.534 tors. eta vs tors. theta energy: -74.834 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: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1031.342512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.342512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.342512 (E_RNA) where: Base-Base interactions energy: -552.544 where: short stacking energy: -277.107 Base-Backbone interact. energy: -2.389 local terms energy: -476.410325 where: bonds (distance) C4'-P energy: -119.804 bonds (distance) P-C4' energy: -148.620 flat angles C4'-P-C4' energy: -123.533 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -865.390998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.390998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.390998 (E_RNA) where: Base-Base interactions energy: -468.329 where: short stacking energy: -211.193 Base-Backbone interact. energy: -1.024 local terms energy: -396.037897 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -135.595 flat angles C4'-P-C4' energy: -98.113 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: 12.686 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: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2760.170885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.170885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.170885 (E_RNA) where: Base-Base interactions energy: -1874.624 where: short stacking energy: -862.816 Base-Backbone interact. energy: -2.594 local terms energy: -882.952865 where: bonds (distance) C4'-P energy: -144.623 bonds (distance) P-C4' energy: -165.101 flat angles C4'-P-C4' energy: -166.740 flat angles P-C4'-P energy: -144.880 tors. eta vs tors. theta energy: -261.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2634.961894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.961894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.961894 (E_RNA) where: Base-Base interactions energy: -1820.048 where: short stacking energy: -740.496 Base-Backbone interact. energy: 1.708 local terms energy: -816.621943 where: bonds (distance) C4'-P energy: -166.345 bonds (distance) P-C4' energy: -147.327 flat angles C4'-P-C4' energy: -169.205 flat angles P-C4'-P energy: -122.712 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: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2481.285975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.285975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.285975 (E_RNA) where: Base-Base interactions energy: -1715.416 where: short stacking energy: -748.844 Base-Backbone interact. energy: -3.633 local terms energy: -762.237243 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -127.145 flat angles C4'-P-C4' energy: -165.793 flat angles P-C4'-P energy: -107.971 tors. eta vs tors. theta energy: -216.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2341.157272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.157272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.157272 (E_RNA) where: Base-Base interactions energy: -1628.023 where: short stacking energy: -652.177 Base-Backbone interact. energy: -3.957 local terms energy: -709.176989 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -126.487 flat angles C4'-P-C4' energy: -174.248 flat angles P-C4'-P energy: -97.298 tors. eta vs tors. theta energy: -170.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2149.345061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.345061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.345061 (E_RNA) where: Base-Base interactions energy: -1435.478 where: short stacking energy: -627.748 Base-Backbone interact. energy: -0.641 local terms energy: -713.225721 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -144.669 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -100.874 tors. eta vs tors. theta energy: -175.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2105.392178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.392178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.392178 (E_RNA) where: Base-Base interactions energy: -1423.148 where: short stacking energy: -608.838 Base-Backbone interact. energy: -3.360 local terms energy: -678.883831 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -136.020 flat angles C4'-P-C4' energy: -154.638 flat angles P-C4'-P energy: -95.352 tors. eta vs tors. theta energy: -168.835 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: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1884.696318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.696318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.696318 (E_RNA) where: Base-Base interactions energy: -1260.632 where: short stacking energy: -553.197 Base-Backbone interact. energy: -1.101 local terms energy: -622.963250 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -140.378 flat angles C4'-P-C4' energy: -124.690 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -137.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1314.099297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.099297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.099297 (E_RNA) where: Base-Base interactions energy: -800.302 where: short stacking energy: -374.511 Base-Backbone interact. energy: 2.440 local terms energy: -516.237435 where: bonds (distance) C4'-P energy: -127.195 bonds (distance) P-C4' energy: -129.254 flat angles C4'-P-C4' energy: -120.177 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -60.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -957.275788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.275788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.275788 (E_RNA) where: Base-Base interactions energy: -528.373 where: short stacking energy: -273.508 Base-Backbone interact. energy: 2.852 local terms energy: -431.754943 where: bonds (distance) C4'-P energy: -103.386 bonds (distance) P-C4' energy: -118.328 flat angles C4'-P-C4' energy: -117.777 flat angles P-C4'-P energy: -67.162 tors. eta vs tors. theta energy: -25.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -790.470644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.470644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.470644 (E_RNA) where: Base-Base interactions energy: -373.973 where: short stacking energy: -205.746 Base-Backbone interact. energy: 1.282 local terms energy: -417.780325 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -140.694 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -72.719 tors. eta vs tors. theta energy: 26.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2741.378769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.378769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.378769 (E_RNA) where: Base-Base interactions energy: -1852.361 where: short stacking energy: -843.504 Base-Backbone interact. energy: -1.819 local terms energy: -887.198697 where: bonds (distance) C4'-P energy: -159.480 bonds (distance) P-C4' energy: -155.375 flat angles C4'-P-C4' energy: -179.298 flat angles P-C4'-P energy: -119.931 tors. eta vs tors. theta energy: -273.114 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: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2652.209138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.209138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.209138 (E_RNA) where: Base-Base interactions energy: -1866.089 where: short stacking energy: -738.805 Base-Backbone interact. energy: 0.521 local terms energy: -786.641526 where: bonds (distance) C4'-P energy: -155.241 bonds (distance) P-C4' energy: -143.598 flat angles C4'-P-C4' energy: -171.074 flat angles P-C4'-P energy: -109.496 tors. eta vs tors. theta energy: -207.233 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: 421 Temperature: 1.000000 Total energy: -2499.305223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.305223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.305223 (E_RNA) where: Base-Base interactions energy: -1737.484 where: short stacking energy: -741.504 Base-Backbone interact. energy: -0.717 local terms energy: -761.104327 where: bonds (distance) C4'-P energy: -133.769 bonds (distance) P-C4' energy: -132.962 flat angles C4'-P-C4' energy: -166.663 flat angles P-C4'-P energy: -116.430 tors. eta vs tors. theta energy: -211.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2353.132389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.132389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.132389 (E_RNA) where: Base-Base interactions energy: -1663.689 where: short stacking energy: -650.627 Base-Backbone interact. energy: -1.326 local terms energy: -688.117438 where: bonds (distance) C4'-P energy: -136.716 bonds (distance) P-C4' energy: -124.040 flat angles C4'-P-C4' energy: -154.057 flat angles P-C4'-P energy: -106.225 tors. eta vs tors. theta energy: -167.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2158.775647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.775647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.775647 (E_RNA) where: Base-Base interactions energy: -1453.510 where: short stacking energy: -649.273 Base-Backbone interact. energy: -1.465 local terms energy: -703.800356 where: bonds (distance) C4'-P energy: -158.839 bonds (distance) P-C4' energy: -127.060 flat angles C4'-P-C4' energy: -156.497 flat angles P-C4'-P energy: -90.088 tors. eta vs tors. theta energy: -171.317 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: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2057.652632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.652632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.652632 (E_RNA) where: Base-Base interactions energy: -1396.525 where: short stacking energy: -577.412 Base-Backbone interact. energy: -1.781 local terms energy: -659.346849 where: bonds (distance) C4'-P energy: -126.716 bonds (distance) P-C4' energy: -134.764 flat angles C4'-P-C4' energy: -141.123 flat angles P-C4'-P energy: -99.679 tors. eta vs tors. theta energy: -157.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1854.246466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.246466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.246466 (E_RNA) where: Base-Base interactions energy: -1236.551 where: short stacking energy: -535.097 Base-Backbone interact. energy: 0.064 local terms energy: -617.759033 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -139.340 flat angles C4'-P-C4' energy: -143.846 flat angles P-C4'-P energy: -73.389 tors. eta vs tors. theta energy: -140.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1354.683683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.683683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.683683 (E_RNA) where: Base-Base interactions energy: -827.535 where: short stacking energy: -417.653 Base-Backbone interact. energy: 2.723 local terms energy: -529.872056 where: bonds (distance) C4'-P energy: -121.561 bonds (distance) P-C4' energy: -135.669 flat angles C4'-P-C4' energy: -126.192 flat angles P-C4'-P energy: -74.843 tors. eta vs tors. theta energy: -71.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -974.107926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.107926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.107926 (E_RNA) where: Base-Base interactions energy: -532.761 where: short stacking energy: -279.667 Base-Backbone interact. energy: 1.257 local terms energy: -442.603923 where: bonds (distance) C4'-P energy: -113.718 bonds (distance) P-C4' energy: -147.774 flat angles C4'-P-C4' energy: -114.981 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -15.599 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: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -791.358718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.358718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.358718 (E_RNA) where: Base-Base interactions energy: -360.887 where: short stacking energy: -197.667 Base-Backbone interact. energy: 6.866 local terms energy: -437.337048 where: bonds (distance) C4'-P energy: -140.561 bonds (distance) P-C4' energy: -136.419 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -65.673 tors. eta vs tors. theta energy: 6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2724.331942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.331942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.331942 (E_RNA) where: Base-Base interactions energy: -1883.975 where: short stacking energy: -843.016 Base-Backbone interact. energy: 4.633 local terms energy: -844.989337 where: bonds (distance) C4'-P energy: -137.860 bonds (distance) P-C4' energy: -138.510 flat angles C4'-P-C4' energy: -188.004 flat angles P-C4'-P energy: -115.939 tors. eta vs tors. theta energy: -264.675 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: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2636.776266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.776266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.776266 (E_RNA) where: Base-Base interactions energy: -1852.420 where: short stacking energy: -756.070 Base-Backbone interact. energy: 2.396 local terms energy: -786.752393 where: bonds (distance) C4'-P energy: -144.930 bonds (distance) P-C4' energy: -161.326 flat angles C4'-P-C4' energy: -173.122 flat angles P-C4'-P energy: -90.073 tors. eta vs tors. theta energy: -217.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2479.156682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.156682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.156682 (E_RNA) where: Base-Base interactions energy: -1713.403 where: short stacking energy: -714.426 Base-Backbone interact. energy: -5.067 local terms energy: -760.687129 where: bonds (distance) C4'-P energy: -124.737 bonds (distance) P-C4' energy: -138.107 flat angles C4'-P-C4' energy: -164.889 flat angles P-C4'-P energy: -105.714 tors. eta vs tors. theta energy: -227.241 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: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2334.967508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.967508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.967508 (E_RNA) where: Base-Base interactions energy: -1625.992 where: short stacking energy: -685.696 Base-Backbone interact. energy: 3.226 local terms energy: -712.202306 where: bonds (distance) C4'-P energy: -135.331 bonds (distance) P-C4' energy: -142.745 flat angles C4'-P-C4' energy: -164.613 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -165.016 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2107.980711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.980711 (E_RNA) where: Base-Base interactions energy: -1449.972 where: short stacking energy: -647.150 Base-Backbone interact. energy: -0.885 local terms energy: -657.123006 where: bonds (distance) C4'-P energy: -137.537 bonds (distance) P-C4' energy: -120.924 flat angles C4'-P-C4' energy: -145.075 flat angles P-C4'-P energy: -88.726 tors. eta vs tors. theta energy: -164.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2070.717143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.717143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.717143 (E_RNA) where: Base-Base interactions energy: -1395.516 where: short stacking energy: -614.925 Base-Backbone interact. energy: -0.579 local terms energy: -674.621638 where: bonds (distance) C4'-P energy: -134.708 bonds (distance) P-C4' energy: -126.460 flat angles C4'-P-C4' energy: -155.455 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -153.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1889.927715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.927715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.927715 (E_RNA) where: Base-Base interactions energy: -1265.561 where: short stacking energy: -562.470 Base-Backbone interact. energy: -2.120 local terms energy: -622.247049 where: bonds (distance) C4'-P energy: -141.410 bonds (distance) P-C4' energy: -123.347 flat angles C4'-P-C4' energy: -135.889 flat angles P-C4'-P energy: -98.274 tors. eta vs tors. theta energy: -123.327 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: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1357.058416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.058416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.058416 (E_RNA) where: Base-Base interactions energy: -837.387 where: short stacking energy: -390.793 Base-Backbone interact. energy: 0.097 local terms energy: -519.769234 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -134.646 flat angles P-C4'-P energy: -82.264 tors. eta vs tors. theta energy: -52.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -989.170079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.170079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.170079 (E_RNA) where: Base-Base interactions energy: -529.471 where: short stacking energy: -285.228 Base-Backbone interact. energy: 0.793 local terms energy: -460.492697 where: bonds (distance) C4'-P energy: -110.302 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -112.477 flat angles P-C4'-P energy: -91.458 tors. eta vs tors. theta energy: -37.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -882.513647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.513647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.513647 (E_RNA) where: Base-Base interactions energy: -454.853 where: short stacking energy: -266.917 Base-Backbone interact. energy: -3.287 local terms energy: -424.372992 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -134.475 flat angles C4'-P-C4' energy: -77.019 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -18.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2748.819369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.819369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.819369 (E_RNA) where: Base-Base interactions energy: -1880.132 where: short stacking energy: -852.135 Base-Backbone interact. energy: -2.688 local terms energy: -865.999541 where: bonds (distance) C4'-P energy: -153.052 bonds (distance) P-C4' energy: -153.305 flat angles C4'-P-C4' energy: -180.548 flat angles P-C4'-P energy: -120.595 tors. eta vs tors. theta energy: -258.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2613.044067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.044067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.044067 (E_RNA) where: Base-Base interactions energy: -1820.664 where: short stacking energy: -722.305 Base-Backbone interact. energy: -4.758 local terms energy: -787.622313 where: bonds (distance) C4'-P energy: -138.235 bonds (distance) P-C4' energy: -156.784 flat angles C4'-P-C4' energy: -171.331 flat angles P-C4'-P energy: -105.595 tors. eta vs tors. theta energy: -215.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2496.737451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.737451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.737451 (E_RNA) where: Base-Base interactions energy: -1712.675 where: short stacking energy: -731.119 Base-Backbone interact. energy: -1.263 local terms energy: -782.799551 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -151.003 flat angles C4'-P-C4' energy: -163.368 flat angles P-C4'-P energy: -109.374 tors. eta vs tors. theta energy: -212.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2358.929349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.929349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.929349 (E_RNA) where: Base-Base interactions energy: -1632.176 where: short stacking energy: -654.150 Base-Backbone interact. energy: -2.283 local terms energy: -724.470830 where: bonds (distance) C4'-P energy: -158.452 bonds (distance) P-C4' energy: -144.670 flat angles C4'-P-C4' energy: -158.623 flat angles P-C4'-P energy: -95.016 tors. eta vs tors. theta energy: -167.710 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: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2184.178748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.178748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.178748 (E_RNA) where: Base-Base interactions energy: -1462.707 where: short stacking energy: -643.065 Base-Backbone interact. energy: -2.290 local terms energy: -719.181398 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -154.952 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -98.529 tors. eta vs tors. theta energy: -171.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2056.846218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.846218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.846218 (E_RNA) where: Base-Base interactions energy: -1380.368 where: short stacking energy: -600.455 Base-Backbone interact. energy: -3.934 local terms energy: -672.544442 where: bonds (distance) C4'-P energy: -134.822 bonds (distance) P-C4' energy: -130.099 flat angles C4'-P-C4' energy: -136.310 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -168.188 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: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1813.317460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.317460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.317460 (E_RNA) where: Base-Base interactions energy: -1224.439 where: short stacking energy: -542.392 Base-Backbone interact. energy: -2.532 local terms energy: -586.346805 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -120.286 flat angles C4'-P-C4' energy: -144.501 flat angles P-C4'-P energy: -85.904 tors. eta vs tors. theta energy: -134.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1444.031147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.031147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.031147 (E_RNA) where: Base-Base interactions energy: -921.261 where: short stacking energy: -417.155 Base-Backbone interact. energy: -3.638 local terms energy: -519.131847 where: bonds (distance) C4'-P energy: -117.290 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -121.085 flat angles P-C4'-P energy: -76.772 tors. eta vs tors. theta energy: -74.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1019.552362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.552362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.552362 (E_RNA) where: Base-Base interactions energy: -578.286 where: short stacking energy: -282.621 Base-Backbone interact. energy: -3.209 local terms energy: -438.057511 where: bonds (distance) C4'-P energy: -105.352 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -106.777 flat angles P-C4'-P energy: -49.144 tors. eta vs tors. theta energy: -29.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -819.814632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.814632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.814632 (E_RNA) where: Base-Base interactions energy: -402.410 where: short stacking energy: -215.012 Base-Backbone interact. energy: 1.381 local terms energy: -418.785489 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -126.828 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -82.925 tors. eta vs tors. theta energy: 10.489 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: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2749.806079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.806079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.806079 (E_RNA) where: Base-Base interactions energy: -1878.199 where: short stacking energy: -852.198 Base-Backbone interact. energy: -3.172 local terms energy: -868.434625 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -175.408 flat angles P-C4'-P energy: -126.799 tors. eta vs tors. theta energy: -264.493 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2580.953210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.953210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.953210 (E_RNA) where: Base-Base interactions energy: -1788.388 where: short stacking energy: -751.199 Base-Backbone interact. energy: -5.598 local terms energy: -786.967826 where: bonds (distance) C4'-P energy: -135.590 bonds (distance) P-C4' energy: -162.366 flat angles C4'-P-C4' energy: -166.173 flat angles P-C4'-P energy: -110.179 tors. eta vs tors. theta energy: -212.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2544.061302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.061302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.061302 (E_RNA) where: Base-Base interactions energy: -1732.874 where: short stacking energy: -723.927 Base-Backbone interact. energy: -4.110 local terms energy: -807.077208 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -140.911 flat angles C4'-P-C4' energy: -184.362 flat angles P-C4'-P energy: -122.074 tors. eta vs tors. theta energy: -222.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2328.561327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.561327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.561327 (E_RNA) where: Base-Base interactions energy: -1601.545 where: short stacking energy: -686.968 Base-Backbone interact. energy: 1.684 local terms energy: -728.700467 where: bonds (distance) C4'-P energy: -150.673 bonds (distance) P-C4' energy: -133.890 flat angles C4'-P-C4' energy: -165.212 flat angles P-C4'-P energy: -104.098 tors. eta vs tors. theta energy: -174.827 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: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2145.575871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.575871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.575871 (E_RNA) where: Base-Base interactions energy: -1460.931 where: short stacking energy: -612.571 Base-Backbone interact. energy: -1.066 local terms energy: -683.578704 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -143.520 flat angles C4'-P-C4' energy: -145.835 flat angles P-C4'-P energy: -110.448 tors. eta vs tors. theta energy: -157.025 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: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2050.754758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.754758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.754758 (E_RNA) where: Base-Base interactions energy: -1379.361 where: short stacking energy: -591.170 Base-Backbone interact. energy: -3.332 local terms energy: -668.061377 where: bonds (distance) C4'-P energy: -118.928 bonds (distance) P-C4' energy: -139.205 flat angles C4'-P-C4' energy: -151.621 flat angles P-C4'-P energy: -92.249 tors. eta vs tors. theta energy: -166.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1856.465405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.465405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.465405 (E_RNA) where: Base-Base interactions energy: -1226.066 where: short stacking energy: -534.315 Base-Backbone interact. energy: -4.604 local terms energy: -625.795323 where: bonds (distance) C4'-P energy: -128.449 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -102.286 tors. eta vs tors. theta energy: -136.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1495.133608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.133608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.133608 (E_RNA) where: Base-Base interactions energy: -938.167 where: short stacking energy: -435.629 Base-Backbone interact. energy: 2.219 local terms energy: -559.186391 where: bonds (distance) C4'-P energy: -117.513 bonds (distance) P-C4' energy: -150.302 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -71.876 tors. eta vs tors. theta energy: -81.168 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: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1060.615075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.615075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.615075 (E_RNA) where: Base-Base interactions energy: -596.605 where: short stacking energy: -292.100 Base-Backbone interact. energy: 0.441 local terms energy: -464.450538 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -113.973 flat angles C4'-P-C4' energy: -122.875 flat angles P-C4'-P energy: -78.503 tors. eta vs tors. theta energy: -25.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -820.022385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.022385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.022385 (E_RNA) where: Base-Base interactions energy: -414.593 where: short stacking energy: -256.416 Base-Backbone interact. energy: -1.076 local terms energy: -404.353158 where: bonds (distance) C4'-P energy: -113.812 bonds (distance) P-C4' energy: -114.207 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -54.128 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2743.761976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.761976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.761976 (E_RNA) where: Base-Base interactions energy: -1856.827 where: short stacking energy: -846.069 Base-Backbone interact. energy: -2.039 local terms energy: -884.896584 where: bonds (distance) C4'-P energy: -152.271 bonds (distance) P-C4' energy: -161.701 flat angles C4'-P-C4' energy: -180.595 flat angles P-C4'-P energy: -130.604 tors. eta vs tors. theta energy: -259.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2611.004050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.004050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.004050 (E_RNA) where: Base-Base interactions energy: -1819.326 where: short stacking energy: -737.611 Base-Backbone interact. energy: -4.135 local terms energy: -787.543556 where: bonds (distance) C4'-P energy: -142.309 bonds (distance) P-C4' energy: -145.977 flat angles C4'-P-C4' energy: -180.821 flat angles P-C4'-P energy: -113.253 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: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2486.392568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.392568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.392568 (E_RNA) where: Base-Base interactions energy: -1743.338 where: short stacking energy: -748.306 Base-Backbone interact. energy: -3.619 local terms energy: -739.435476 where: bonds (distance) C4'-P energy: -132.267 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -151.522 flat angles P-C4'-P energy: -104.281 tors. eta vs tors. theta energy: -206.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2362.292836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.292836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.292836 (E_RNA) where: Base-Base interactions energy: -1649.544 where: short stacking energy: -691.108 Base-Backbone interact. energy: -2.563 local terms energy: -710.186373 where: bonds (distance) C4'-P energy: -137.960 bonds (distance) P-C4' energy: -137.813 flat angles C4'-P-C4' energy: -164.860 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -179.017 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2163.163372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.163372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.163372 (E_RNA) where: Base-Base interactions energy: -1441.950 where: short stacking energy: -627.800 Base-Backbone interact. energy: -3.391 local terms energy: -717.822325 where: bonds (distance) C4'-P energy: -135.253 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -170.738 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -161.833 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: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2093.694650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.694650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.694650 (E_RNA) where: Base-Base interactions energy: -1414.047 where: short stacking energy: -605.721 Base-Backbone interact. energy: -1.219 local terms energy: -678.428570 where: bonds (distance) C4'-P energy: -122.281 bonds (distance) P-C4' energy: -136.880 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -105.938 tors. eta vs tors. theta energy: -165.647 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: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1831.880596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.880596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.880596 (E_RNA) where: Base-Base interactions energy: -1224.340 where: short stacking energy: -537.415 Base-Backbone interact. energy: 1.498 local terms energy: -609.038811 where: bonds (distance) C4'-P energy: -123.102 bonds (distance) P-C4' energy: -140.653 flat angles C4'-P-C4' energy: -141.624 flat angles P-C4'-P energy: -90.032 tors. eta vs tors. theta energy: -113.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1429.124386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.124386 (E_RNA) where: Base-Base interactions energy: -909.570 where: short stacking energy: -435.821 Base-Backbone interact. energy: -1.699 local terms energy: -517.855077 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -120.698 flat angles C4'-P-C4' energy: -109.495 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -86.609 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: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1064.736869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.736869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.736869 (E_RNA) where: Base-Base interactions energy: -590.352 where: short stacking energy: -318.051 Base-Backbone interact. energy: 1.613 local terms energy: -475.998246 where: bonds (distance) C4'-P energy: -127.522 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -112.651 flat angles P-C4'-P energy: -82.706 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -806.847125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.847125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.847125 (E_RNA) where: Base-Base interactions energy: -427.504 where: short stacking energy: -239.236 Base-Backbone interact. energy: 1.715 local terms energy: -381.057579 where: bonds (distance) C4'-P energy: -110.699 bonds (distance) P-C4' energy: -121.878 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: 8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2731.327973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.327973 (E_RNA) where: Base-Base interactions energy: -1846.845 where: short stacking energy: -848.605 Base-Backbone interact. energy: -5.017 local terms energy: -879.466200 where: bonds (distance) C4'-P energy: -154.700 bonds (distance) P-C4' energy: -159.507 flat angles C4'-P-C4' energy: -180.388 flat angles P-C4'-P energy: -127.111 tors. eta vs tors. theta energy: -257.759 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: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2648.407134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.407134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.407134 (E_RNA) where: Base-Base interactions energy: -1841.687 where: short stacking energy: -747.306 Base-Backbone interact. energy: -7.982 local terms energy: -798.738646 where: bonds (distance) C4'-P energy: -152.375 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -170.349 flat angles P-C4'-P energy: -117.704 tors. eta vs tors. theta energy: -210.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2501.599023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.599023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.599023 (E_RNA) where: Base-Base interactions energy: -1711.895 where: short stacking energy: -715.329 Base-Backbone interact. energy: -1.525 local terms energy: -788.178606 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -143.651 flat angles C4'-P-C4' energy: -183.277 flat angles P-C4'-P energy: -115.056 tors. eta vs tors. theta energy: -197.005 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: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2324.199929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.199929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.199929 (E_RNA) where: Base-Base interactions energy: -1596.117 where: short stacking energy: -660.616 Base-Backbone interact. energy: 1.630 local terms energy: -729.713411 where: bonds (distance) C4'-P energy: -150.942 bonds (distance) P-C4' energy: -145.552 flat angles C4'-P-C4' energy: -149.065 flat angles P-C4'-P energy: -107.641 tors. eta vs tors. theta energy: -176.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2156.341827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.341827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.341827 (E_RNA) where: Base-Base interactions energy: -1463.615 where: short stacking energy: -629.394 Base-Backbone interact. energy: -1.201 local terms energy: -691.525149 where: bonds (distance) C4'-P energy: -127.674 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -154.214 flat angles P-C4'-P energy: -96.013 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: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2071.155717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.155717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.155717 (E_RNA) where: Base-Base interactions energy: -1413.017 where: short stacking energy: -608.262 Base-Backbone interact. energy: 3.116 local terms energy: -661.254527 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -140.869 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -161.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1850.128247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.128247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.128247 (E_RNA) where: Base-Base interactions energy: -1230.859 where: short stacking energy: -538.408 Base-Backbone interact. energy: 0.508 local terms energy: -619.776845 where: bonds (distance) C4'-P energy: -137.496 bonds (distance) P-C4' energy: -133.431 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -80.949 tors. eta vs tors. theta energy: -127.811 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: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1406.303906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.303906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.303906 (E_RNA) where: Base-Base interactions energy: -846.682 where: short stacking energy: -377.043 Base-Backbone interact. energy: 10.347 local terms energy: -569.968980 where: bonds (distance) C4'-P energy: -133.404 bonds (distance) P-C4' energy: -132.426 flat angles C4'-P-C4' energy: -148.697 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -69.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -937.067558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.067558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.067558 (E_RNA) where: Base-Base interactions energy: -480.926 where: short stacking energy: -280.246 Base-Backbone interact. energy: -1.137 local terms energy: -455.004460 where: bonds (distance) C4'-P energy: -127.539 bonds (distance) P-C4' energy: -124.314 flat angles C4'-P-C4' energy: -114.868 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -960.276411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.276411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.276411 (E_RNA) where: Base-Base interactions energy: -509.610 where: short stacking energy: -282.411 Base-Backbone interact. energy: 5.525 local terms energy: -456.191044 where: bonds (distance) C4'-P energy: -109.509 bonds (distance) P-C4' energy: -136.181 flat angles C4'-P-C4' energy: -118.572 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -31.182 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2747.899983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.899983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.899983 (E_RNA) where: Base-Base interactions energy: -1889.031 where: short stacking energy: -852.083 Base-Backbone interact. energy: -1.443 local terms energy: -857.425572 where: bonds (distance) C4'-P energy: -146.578 bonds (distance) P-C4' energy: -153.018 flat angles C4'-P-C4' energy: -181.449 flat angles P-C4'-P energy: -123.070 tors. eta vs tors. theta energy: -253.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2615.752024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.752024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.752024 (E_RNA) where: Base-Base interactions energy: -1814.277 where: short stacking energy: -731.785 Base-Backbone interact. energy: -2.386 local terms energy: -799.088826 where: bonds (distance) C4'-P energy: -151.422 bonds (distance) P-C4' energy: -163.376 flat angles C4'-P-C4' energy: -165.457 flat angles P-C4'-P energy: -110.876 tors. eta vs tors. theta energy: -207.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2475.400998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.400998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.400998 (E_RNA) where: Base-Base interactions energy: -1715.127 where: short stacking energy: -744.652 Base-Backbone interact. energy: -3.627 local terms energy: -756.647012 where: bonds (distance) C4'-P energy: -129.495 bonds (distance) P-C4' energy: -136.488 flat angles C4'-P-C4' energy: -174.886 flat angles P-C4'-P energy: -105.339 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: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2356.981542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.981542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.981542 (E_RNA) where: Base-Base interactions energy: -1631.533 where: short stacking energy: -660.417 Base-Backbone interact. energy: -1.497 local terms energy: -723.951637 where: bonds (distance) C4'-P energy: -146.853 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -160.940 flat angles P-C4'-P energy: -106.400 tors. eta vs tors. theta energy: -180.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2175.837740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.837740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.837740 (E_RNA) where: Base-Base interactions energy: -1454.369 where: short stacking energy: -643.941 Base-Backbone interact. energy: -1.002 local terms energy: -720.467105 where: bonds (distance) C4'-P energy: -143.319 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -158.691 flat angles P-C4'-P energy: -112.136 tors. eta vs tors. theta energy: -176.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2067.332316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.332316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.332316 (E_RNA) where: Base-Base interactions energy: -1398.760 where: short stacking energy: -585.659 Base-Backbone interact. energy: 2.402 local terms energy: -670.974650 where: bonds (distance) C4'-P energy: -140.995 bonds (distance) P-C4' energy: -134.524 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -151.413 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: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1870.207838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.207838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.207838 (E_RNA) where: Base-Base interactions energy: -1256.458 where: short stacking energy: -557.214 Base-Backbone interact. energy: 3.277 local terms energy: -617.027093 where: bonds (distance) C4'-P energy: -132.659 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -142.060 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -145.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1395.877137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.877137 (E_RNA) where: Base-Base interactions energy: -832.869 where: short stacking energy: -400.051 Base-Backbone interact. energy: -1.264 local terms energy: -561.744254 where: bonds (distance) C4'-P energy: -125.866 bonds (distance) P-C4' energy: -127.633 flat angles C4'-P-C4' energy: -133.346 flat angles P-C4'-P energy: -95.133 tors. eta vs tors. theta energy: -79.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -917.276624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.276624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.276624 (E_RNA) where: Base-Base interactions energy: -470.396 where: short stacking energy: -254.125 Base-Backbone interact. energy: 2.923 local terms energy: -449.803889 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -153.349 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -969.735254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.735254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.735254 (E_RNA) where: Base-Base interactions energy: -553.892 where: short stacking energy: -282.987 Base-Backbone interact. energy: -0.156 local terms energy: -415.687747 where: bonds (distance) C4'-P energy: -109.329 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -62.702 tors. eta vs tors. theta energy: -12.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2746.713722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.713722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.713722 (E_RNA) where: Base-Base interactions energy: -1876.742 where: short stacking energy: -845.538 Base-Backbone interact. energy: -3.892 local terms energy: -866.079847 where: bonds (distance) C4'-P energy: -144.211 bonds (distance) P-C4' energy: -149.679 flat angles C4'-P-C4' energy: -176.811 flat angles P-C4'-P energy: -130.419 tors. eta vs tors. theta energy: -264.960 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: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2649.455286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.455286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.455286 (E_RNA) where: Base-Base interactions energy: -1843.864 where: short stacking energy: -756.565 Base-Backbone interact. energy: -3.042 local terms energy: -802.548912 where: bonds (distance) C4'-P energy: -147.858 bonds (distance) P-C4' energy: -148.947 flat angles C4'-P-C4' energy: -177.418 flat angles P-C4'-P energy: -110.114 tors. eta vs tors. theta energy: -218.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2535.646442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.646442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.646442 (E_RNA) where: Base-Base interactions energy: -1754.210 where: short stacking energy: -753.597 Base-Backbone interact. energy: -1.604 local terms energy: -779.832351 where: bonds (distance) C4'-P energy: -147.801 bonds (distance) P-C4' energy: -124.667 flat angles C4'-P-C4' energy: -170.959 flat angles P-C4'-P energy: -115.546 tors. eta vs tors. theta energy: -220.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2340.458407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.458407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.458407 (E_RNA) where: Base-Base interactions energy: -1641.084 where: short stacking energy: -624.566 Base-Backbone interact. energy: -3.214 local terms energy: -696.160691 where: bonds (distance) C4'-P energy: -128.593 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -178.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2210.090898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.090898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.090898 (E_RNA) where: Base-Base interactions energy: -1490.007 where: short stacking energy: -685.095 Base-Backbone interact. energy: -3.459 local terms energy: -716.625254 where: bonds (distance) C4'-P energy: -108.103 bonds (distance) P-C4' energy: -142.465 flat angles C4'-P-C4' energy: -168.964 flat angles P-C4'-P energy: -105.796 tors. eta vs tors. theta energy: -191.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2025.599650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.599650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.599650 (E_RNA) where: Base-Base interactions energy: -1368.557 where: short stacking energy: -572.048 Base-Backbone interact. energy: -3.445 local terms energy: -653.597300 where: bonds (distance) C4'-P energy: -126.190 bonds (distance) P-C4' energy: -134.498 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -97.669 tors. eta vs tors. theta energy: -136.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1815.779020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.779020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.779020 (E_RNA) where: Base-Base interactions energy: -1210.270 where: short stacking energy: -565.384 Base-Backbone interact. energy: -0.007 local terms energy: -605.501774 where: bonds (distance) C4'-P energy: -125.540 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -125.465 flat angles P-C4'-P energy: -99.411 tors. eta vs tors. theta energy: -141.979 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1408.265207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.265207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.265207 (E_RNA) where: Base-Base interactions energy: -887.340 where: short stacking energy: -422.819 Base-Backbone interact. energy: -2.387 local terms energy: -518.537624 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -121.460 flat angles C4'-P-C4' energy: -126.918 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -75.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1002.834189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.834189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.834189 (E_RNA) where: Base-Base interactions energy: -568.284 where: short stacking energy: -301.087 Base-Backbone interact. energy: 1.889 local terms energy: -436.438920 where: bonds (distance) C4'-P energy: -120.021 bonds (distance) P-C4' energy: -116.442 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -62.105 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: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -926.792291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.792291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.792291 (E_RNA) where: Base-Base interactions energy: -523.529 where: short stacking energy: -280.592 Base-Backbone interact. energy: 8.736 local terms energy: -411.999351 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -106.509 flat angles C4'-P-C4' energy: -103.794 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -5.229 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2757.110843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.110843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.110843 (E_RNA) where: Base-Base interactions energy: -1888.382 where: short stacking energy: -853.639 Base-Backbone interact. energy: -4.537 local terms energy: -864.191959 where: bonds (distance) C4'-P energy: -142.120 bonds (distance) P-C4' energy: -154.713 flat angles C4'-P-C4' energy: -181.827 flat angles P-C4'-P energy: -124.674 tors. eta vs tors. theta energy: -260.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2590.799610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.799610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.799610 (E_RNA) where: Base-Base interactions energy: -1780.179 where: short stacking energy: -792.006 Base-Backbone interact. energy: 2.427 local terms energy: -813.047794 where: bonds (distance) C4'-P energy: -132.799 bonds (distance) P-C4' energy: -160.659 flat angles C4'-P-C4' energy: -170.679 flat angles P-C4'-P energy: -107.374 tors. eta vs tors. theta energy: -241.537 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: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2581.388204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.388204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.388204 (E_RNA) where: Base-Base interactions energy: -1807.421 where: short stacking energy: -714.312 Base-Backbone interact. energy: -6.128 local terms energy: -767.838480 where: bonds (distance) C4'-P energy: -136.330 bonds (distance) P-C4' energy: -152.085 flat angles C4'-P-C4' energy: -155.304 flat angles P-C4'-P energy: -120.163 tors. eta vs tors. theta energy: -203.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2364.138586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.138586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.138586 (E_RNA) where: Base-Base interactions energy: -1658.961 where: short stacking energy: -685.611 Base-Backbone interact. energy: 4.136 local terms energy: -709.313655 where: bonds (distance) C4'-P energy: -139.235 bonds (distance) P-C4' energy: -150.509 flat angles C4'-P-C4' energy: -140.312 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -183.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2164.180740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.180740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.180740 (E_RNA) where: Base-Base interactions energy: -1443.087 where: short stacking energy: -646.671 Base-Backbone interact. energy: 1.818 local terms energy: -722.912364 where: bonds (distance) C4'-P energy: -129.826 bonds (distance) P-C4' energy: -141.630 flat angles C4'-P-C4' energy: -162.689 flat angles P-C4'-P energy: -102.787 tors. eta vs tors. theta energy: -185.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2012.004870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.004870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.004870 (E_RNA) where: Base-Base interactions energy: -1373.939 where: short stacking energy: -611.298 Base-Backbone interact. energy: 0.196 local terms energy: -638.261305 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -119.985 flat angles C4'-P-C4' energy: -142.307 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -148.217 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1852.459326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.459326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.459326 (E_RNA) where: Base-Base interactions energy: -1192.845 where: short stacking energy: -509.886 Base-Backbone interact. energy: -1.984 local terms energy: -657.630240 where: bonds (distance) C4'-P energy: -133.097 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -149.078 flat angles P-C4'-P energy: -97.638 tors. eta vs tors. theta energy: -123.505 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: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1451.809692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.809692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.809692 (E_RNA) where: Base-Base interactions energy: -901.838 where: short stacking energy: -429.197 Base-Backbone interact. energy: 0.895 local terms energy: -550.866502 where: bonds (distance) C4'-P energy: -116.297 bonds (distance) P-C4' energy: -119.316 flat angles C4'-P-C4' energy: -133.273 flat angles P-C4'-P energy: -91.102 tors. eta vs tors. theta energy: -90.878 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: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -999.707515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.707515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.707515 (E_RNA) where: Base-Base interactions energy: -541.710 where: short stacking energy: -299.643 Base-Backbone interact. energy: 0.701 local terms energy: -458.698482 where: bonds (distance) C4'-P energy: -115.496 bonds (distance) P-C4' energy: -120.298 flat angles C4'-P-C4' energy: -125.770 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -35.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -949.725698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.725698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.725698 (E_RNA) where: Base-Base interactions energy: -506.508 where: short stacking energy: -261.625 Base-Backbone interact. energy: -1.016 local terms energy: -442.201641 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -112.746 flat angles P-C4'-P energy: -53.088 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2734.448666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.448666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.448666 (E_RNA) where: Base-Base interactions energy: -1882.812 where: short stacking energy: -845.244 Base-Backbone interact. energy: -4.372 local terms energy: -847.263726 where: bonds (distance) C4'-P energy: -149.540 bonds (distance) P-C4' energy: -146.878 flat angles C4'-P-C4' energy: -175.432 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -260.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2544.637791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.637791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.637791 (E_RNA) where: Base-Base interactions energy: -1771.796 where: short stacking energy: -757.120 Base-Backbone interact. energy: -0.762 local terms energy: -772.079294 where: bonds (distance) C4'-P energy: -135.979 bonds (distance) P-C4' energy: -146.990 flat angles C4'-P-C4' energy: -154.147 flat angles P-C4'-P energy: -113.928 tors. eta vs tors. theta energy: -221.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2563.650591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.650591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.650591 (E_RNA) where: Base-Base interactions energy: -1782.697 where: short stacking energy: -734.852 Base-Backbone interact. energy: -0.110 local terms energy: -780.843423 where: bonds (distance) C4'-P energy: -143.105 bonds (distance) P-C4' energy: -150.561 flat angles C4'-P-C4' energy: -172.764 flat angles P-C4'-P energy: -110.344 tors. eta vs tors. theta energy: -204.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2354.056373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.056373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.056373 (E_RNA) where: Base-Base interactions energy: -1636.657 where: short stacking energy: -671.945 Base-Backbone interact. energy: 4.273 local terms energy: -721.673079 where: bonds (distance) C4'-P energy: -136.675 bonds (distance) P-C4' energy: -130.955 flat angles C4'-P-C4' energy: -152.343 flat angles P-C4'-P energy: -117.763 tors. eta vs tors. theta energy: -183.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2118.868158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.868158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.868158 (E_RNA) where: Base-Base interactions energy: -1395.800 where: short stacking energy: -640.991 Base-Backbone interact. energy: -1.044 local terms energy: -722.023977 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -135.940 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -105.082 tors. eta vs tors. theta energy: -170.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2027.317828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.317828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.317828 (E_RNA) where: Base-Base interactions energy: -1356.389 where: short stacking energy: -603.130 Base-Backbone interact. energy: -0.086 local terms energy: -670.842601 where: bonds (distance) C4'-P energy: -116.413 bonds (distance) P-C4' energy: -141.759 flat angles C4'-P-C4' energy: -151.045 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -164.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1871.170194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.170194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.170194 (E_RNA) where: Base-Base interactions energy: -1267.879 where: short stacking energy: -559.465 Base-Backbone interact. energy: 0.019 local terms energy: -603.310143 where: bonds (distance) C4'-P energy: -116.410 bonds (distance) P-C4' energy: -139.647 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -137.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1481.512677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.512677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.512677 (E_RNA) where: Base-Base interactions energy: -931.081 where: short stacking energy: -446.500 Base-Backbone interact. energy: 3.757 local terms energy: -554.188528 where: bonds (distance) C4'-P energy: -129.629 bonds (distance) P-C4' energy: -116.492 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -71.809 tors. eta vs tors. theta energy: -92.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -958.891860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.891860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.891860 (E_RNA) where: Base-Base interactions energy: -479.125 where: short stacking energy: -266.639 Base-Backbone interact. energy: 2.493 local terms energy: -482.260702 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -123.413 flat angles C4'-P-C4' energy: -125.929 flat angles P-C4'-P energy: -75.255 tors. eta vs tors. theta energy: -28.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -952.358834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.358834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.358834 (E_RNA) where: Base-Base interactions energy: -554.063 where: short stacking energy: -273.527 Base-Backbone interact. energy: -0.220 local terms energy: -398.075696 where: bonds (distance) C4'-P energy: -135.600 bonds (distance) P-C4' energy: -118.862 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2722.455429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.455429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.455429 (E_RNA) where: Base-Base interactions energy: -1859.857 where: short stacking energy: -836.373 Base-Backbone interact. energy: -0.954 local terms energy: -861.645310 where: bonds (distance) C4'-P energy: -155.158 bonds (distance) P-C4' energy: -163.670 flat angles C4'-P-C4' energy: -165.553 flat angles P-C4'-P energy: -122.311 tors. eta vs tors. theta energy: -254.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2584.787841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.787841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.787841 (E_RNA) where: Base-Base interactions energy: -1784.522 where: short stacking energy: -718.406 Base-Backbone interact. energy: 6.220 local terms energy: -806.485397 where: bonds (distance) C4'-P energy: -152.912 bonds (distance) P-C4' energy: -158.535 flat angles C4'-P-C4' energy: -172.739 flat angles P-C4'-P energy: -116.806 tors. eta vs tors. theta energy: -205.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2490.520492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.520492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.520492 (E_RNA) where: Base-Base interactions energy: -1719.435 where: short stacking energy: -699.382 Base-Backbone interact. energy: -0.229 local terms energy: -770.856642 where: bonds (distance) C4'-P energy: -141.208 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -161.889 flat angles P-C4'-P energy: -99.723 tors. eta vs tors. theta energy: -212.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2394.705938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.705938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.705938 (E_RNA) where: Base-Base interactions energy: -1659.667 where: short stacking energy: -684.781 Base-Backbone interact. energy: -1.966 local terms energy: -733.072530 where: bonds (distance) C4'-P energy: -138.675 bonds (distance) P-C4' energy: -138.669 flat angles C4'-P-C4' energy: -169.467 flat angles P-C4'-P energy: -99.269 tors. eta vs tors. theta energy: -186.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2177.020398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.020398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.020398 (E_RNA) where: Base-Base interactions energy: -1468.952 where: short stacking energy: -656.901 Base-Backbone interact. energy: -1.919 local terms energy: -706.150106 where: bonds (distance) C4'-P energy: -121.764 bonds (distance) P-C4' energy: -145.495 flat angles C4'-P-C4' energy: -161.911 flat angles P-C4'-P energy: -97.261 tors. eta vs tors. theta energy: -179.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2067.470462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.470462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.470462 (E_RNA) where: Base-Base interactions energy: -1405.235 where: short stacking energy: -578.253 Base-Backbone interact. energy: -1.505 local terms energy: -660.729687 where: bonds (distance) C4'-P energy: -121.702 bonds (distance) P-C4' energy: -130.734 flat angles C4'-P-C4' energy: -152.646 flat angles P-C4'-P energy: -102.797 tors. eta vs tors. theta energy: -152.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1828.531003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.531003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.531003 (E_RNA) where: Base-Base interactions energy: -1206.525 where: short stacking energy: -553.324 Base-Backbone interact. energy: -0.898 local terms energy: -621.107826 where: bonds (distance) C4'-P energy: -120.978 bonds (distance) P-C4' energy: -143.321 flat angles C4'-P-C4' energy: -140.531 flat angles P-C4'-P energy: -96.295 tors. eta vs tors. theta energy: -119.983 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: 431 Temperature: 1.250000 Total energy: -1393.008320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.008320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.008320 (E_RNA) where: Base-Base interactions energy: -890.193 where: short stacking energy: -406.311 Base-Backbone interact. energy: -1.208 local terms energy: -501.607245 where: bonds (distance) C4'-P energy: -106.761 bonds (distance) P-C4' energy: -116.490 flat angles C4'-P-C4' energy: -109.210 flat angles P-C4'-P energy: -95.478 tors. eta vs tors. theta energy: -73.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -992.688554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.688554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.688554 (E_RNA) where: Base-Base interactions energy: -546.386 where: short stacking energy: -297.365 Base-Backbone interact. energy: -0.526 local terms energy: -445.776394 where: bonds (distance) C4'-P energy: -112.024 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -93.600 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -31.916 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: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -913.649254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.649254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.649254 (E_RNA) where: Base-Base interactions energy: -465.519 where: short stacking energy: -236.285 Base-Backbone interact. energy: 0.471 local terms energy: -448.600815 where: bonds (distance) C4'-P energy: -126.100 bonds (distance) P-C4' energy: -121.586 flat angles C4'-P-C4' energy: -118.292 flat angles P-C4'-P energy: -79.021 tors. eta vs tors. theta energy: -3.602 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: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2735.216886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.216886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.216886 (E_RNA) where: Base-Base interactions energy: -1875.868 where: short stacking energy: -874.590 Base-Backbone interact. energy: -4.453 local terms energy: -854.896303 where: bonds (distance) C4'-P energy: -138.080 bonds (distance) P-C4' energy: -160.520 flat angles C4'-P-C4' energy: -181.313 flat angles P-C4'-P energy: -114.767 tors. eta vs tors. theta energy: -260.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2635.111688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.111688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.111688 (E_RNA) where: Base-Base interactions energy: -1830.561 where: short stacking energy: -747.802 Base-Backbone interact. energy: 5.562 local terms energy: -810.112638 where: bonds (distance) C4'-P energy: -153.293 bonds (distance) P-C4' energy: -166.810 flat angles C4'-P-C4' energy: -176.963 flat angles P-C4'-P energy: -101.416 tors. eta vs tors. theta energy: -211.630 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: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2527.084724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.084724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.084724 (E_RNA) where: Base-Base interactions energy: -1753.211 where: short stacking energy: -747.537 Base-Backbone interact. energy: -4.582 local terms energy: -769.290795 where: bonds (distance) C4'-P energy: -140.066 bonds (distance) P-C4' energy: -142.717 flat angles C4'-P-C4' energy: -167.655 flat angles P-C4'-P energy: -103.990 tors. eta vs tors. theta energy: -214.863 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: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2345.498597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.498597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.498597 (E_RNA) where: Base-Base interactions energy: -1636.781 where: short stacking energy: -651.390 Base-Backbone interact. energy: -1.796 local terms energy: -706.921422 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -178.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2160.750457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.750457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.750457 (E_RNA) where: Base-Base interactions energy: -1442.335 where: short stacking energy: -633.006 Base-Backbone interact. energy: -1.220 local terms energy: -717.195733 where: bonds (distance) C4'-P energy: -134.475 bonds (distance) P-C4' energy: -149.860 flat angles C4'-P-C4' energy: -146.247 flat angles P-C4'-P energy: -107.118 tors. eta vs tors. theta energy: -179.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2031.391295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.391295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.391295 (E_RNA) where: Base-Base interactions energy: -1367.353 where: short stacking energy: -576.202 Base-Backbone interact. energy: -0.555 local terms energy: -663.483791 where: bonds (distance) C4'-P energy: -132.890 bonds (distance) P-C4' energy: -144.204 flat angles C4'-P-C4' energy: -167.680 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -139.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1845.755031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.755031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.755031 (E_RNA) where: Base-Base interactions energy: -1231.530 where: short stacking energy: -563.055 Base-Backbone interact. energy: 3.172 local terms energy: -617.396854 where: bonds (distance) C4'-P energy: -108.928 bonds (distance) P-C4' energy: -136.267 flat angles C4'-P-C4' energy: -152.808 flat angles P-C4'-P energy: -85.446 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: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1339.106564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.106564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.106564 (E_RNA) where: Base-Base interactions energy: -828.893 where: short stacking energy: -430.909 Base-Backbone interact. energy: -0.011 local terms energy: -510.202677 where: bonds (distance) C4'-P energy: -111.333 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -134.379 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -62.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1021.326314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.326314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.326314 (E_RNA) where: Base-Base interactions energy: -587.485 where: short stacking energy: -303.025 Base-Backbone interact. energy: -2.116 local terms energy: -431.725787 where: bonds (distance) C4'-P energy: -120.930 bonds (distance) P-C4' energy: -119.680 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -39.959 tors. eta vs tors. theta energy: -26.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -949.601091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.601091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.601091 (E_RNA) where: Base-Base interactions energy: -523.420 where: short stacking energy: -305.979 Base-Backbone interact. energy: -2.236 local terms energy: -423.944905 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -123.816 flat angles C4'-P-C4' energy: -104.194 flat angles P-C4'-P energy: -54.019 tors. eta vs tors. theta energy: -35.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2721.359611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.359611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.359611 (E_RNA) where: Base-Base interactions energy: -1841.810 where: short stacking energy: -816.917 Base-Backbone interact. energy: -3.824 local terms energy: -875.725589 where: bonds (distance) C4'-P energy: -167.406 bonds (distance) P-C4' energy: -155.427 flat angles C4'-P-C4' energy: -169.417 flat angles P-C4'-P energy: -123.196 tors. eta vs tors. theta energy: -260.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2623.235066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.235066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.235066 (E_RNA) where: Base-Base interactions energy: -1838.099 where: short stacking energy: -752.225 Base-Backbone interact. energy: -3.101 local terms energy: -782.035057 where: bonds (distance) C4'-P energy: -141.341 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -119.250 tors. eta vs tors. theta energy: -209.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2503.554028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.554028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.554028 (E_RNA) where: Base-Base interactions energy: -1743.609 where: short stacking energy: -739.026 Base-Backbone interact. energy: -0.901 local terms energy: -759.044051 where: bonds (distance) C4'-P energy: -138.044 bonds (distance) P-C4' energy: -151.666 flat angles C4'-P-C4' energy: -163.904 flat angles P-C4'-P energy: -109.752 tors. eta vs tors. theta energy: -195.678 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: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2358.940289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.940289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.940289 (E_RNA) where: Base-Base interactions energy: -1654.195 where: short stacking energy: -698.581 Base-Backbone interact. energy: 0.482 local terms energy: -705.226998 where: bonds (distance) C4'-P energy: -134.848 bonds (distance) P-C4' energy: -122.879 flat angles C4'-P-C4' energy: -151.786 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -188.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2257.318504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.318504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.318504 (E_RNA) where: Base-Base interactions energy: -1531.329 where: short stacking energy: -693.865 Base-Backbone interact. energy: -2.997 local terms energy: -722.992611 where: bonds (distance) C4'-P energy: -145.212 bonds (distance) P-C4' energy: -141.764 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -187.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2080.941826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.941826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.941826 (E_RNA) where: Base-Base interactions energy: -1414.826 where: short stacking energy: -626.349 Base-Backbone interact. energy: -2.192 local terms energy: -663.923133 where: bonds (distance) C4'-P energy: -126.016 bonds (distance) P-C4' energy: -143.828 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -153.786 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: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1891.416859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.416859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.416859 (E_RNA) where: Base-Base interactions energy: -1247.299 where: short stacking energy: -545.853 Base-Backbone interact. energy: -1.687 local terms energy: -642.431012 where: bonds (distance) C4'-P energy: -138.684 bonds (distance) P-C4' energy: -123.573 flat angles C4'-P-C4' energy: -138.524 flat angles P-C4'-P energy: -107.588 tors. eta vs tors. theta energy: -134.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1324.095316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.095316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.095316 (E_RNA) where: Base-Base interactions energy: -790.989 where: short stacking energy: -381.345 Base-Backbone interact. energy: 2.844 local terms energy: -535.950248 where: bonds (distance) C4'-P energy: -128.149 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -131.870 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -60.482 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: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -950.501534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.501534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.501534 (E_RNA) where: Base-Base interactions energy: -529.506 where: short stacking energy: -294.675 Base-Backbone interact. energy: 0.245 local terms energy: -421.240004 where: bonds (distance) C4'-P energy: -118.411 bonds (distance) P-C4' energy: -133.343 flat angles C4'-P-C4' energy: -114.316 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: -19.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -968.600866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.600866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.600866 (E_RNA) where: Base-Base interactions energy: -540.054 where: short stacking energy: -286.256 Base-Backbone interact. energy: -0.729 local terms energy: -427.818051 where: bonds (distance) C4'-P energy: -103.449 bonds (distance) P-C4' energy: -115.336 flat angles C4'-P-C4' energy: -113.820 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: -18.623 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: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2687.753160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.753160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.753160 (E_RNA) where: Base-Base interactions energy: -1894.190 where: short stacking energy: -763.160 Base-Backbone interact. energy: 1.669 local terms energy: -795.232436 where: bonds (distance) C4'-P energy: -137.603 bonds (distance) P-C4' energy: -152.428 flat angles C4'-P-C4' energy: -179.636 flat angles P-C4'-P energy: -110.837 tors. eta vs tors. theta energy: -214.728 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: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2648.609874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.609874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.609874 (E_RNA) where: Base-Base interactions energy: -1795.411 where: short stacking energy: -798.856 Base-Backbone interact. energy: -4.613 local terms energy: -848.586521 where: bonds (distance) C4'-P energy: -134.258 bonds (distance) P-C4' energy: -157.627 flat angles C4'-P-C4' energy: -176.422 flat angles P-C4'-P energy: -128.148 tors. eta vs tors. theta energy: -252.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2472.131305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.131305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.131305 (E_RNA) where: Base-Base interactions energy: -1717.824 where: short stacking energy: -731.467 Base-Backbone interact. energy: -4.015 local terms energy: -750.292464 where: bonds (distance) C4'-P energy: -153.297 bonds (distance) P-C4' energy: -147.215 flat angles C4'-P-C4' energy: -148.345 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -197.739 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: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2296.060113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.060113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.060113 (E_RNA) where: Base-Base interactions energy: -1588.225 where: short stacking energy: -648.479 Base-Backbone interact. energy: -2.292 local terms energy: -705.543148 where: bonds (distance) C4'-P energy: -140.777 bonds (distance) P-C4' energy: -143.233 flat angles C4'-P-C4' energy: -151.045 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -165.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2228.576764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.576764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.576764 (E_RNA) where: Base-Base interactions energy: -1497.384 where: short stacking energy: -645.324 Base-Backbone interact. energy: -3.496 local terms energy: -727.696943 where: bonds (distance) C4'-P energy: -132.795 bonds (distance) P-C4' energy: -151.627 flat angles C4'-P-C4' energy: -171.162 flat angles P-C4'-P energy: -90.501 tors. eta vs tors. theta energy: -181.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2042.111252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.111252 (E_RNA) where: Base-Base interactions energy: -1406.024 where: short stacking energy: -613.817 Base-Backbone interact. energy: -1.964 local terms energy: -634.123466 where: bonds (distance) C4'-P energy: -117.757 bonds (distance) P-C4' energy: -118.234 flat angles C4'-P-C4' energy: -145.016 flat angles P-C4'-P energy: -101.254 tors. eta vs tors. theta energy: -151.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1882.051443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.051443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.051443 (E_RNA) where: Base-Base interactions energy: -1261.256 where: short stacking energy: -573.513 Base-Backbone interact. energy: 2.342 local terms energy: -623.137490 where: bonds (distance) C4'-P energy: -109.639 bonds (distance) P-C4' energy: -117.538 flat angles C4'-P-C4' energy: -162.573 flat angles P-C4'-P energy: -92.322 tors. eta vs tors. theta energy: -141.065 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: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1358.291229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.291229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.291229 (E_RNA) where: Base-Base interactions energy: -819.459 where: short stacking energy: -405.219 Base-Backbone interact. energy: -1.138 local terms energy: -537.693714 where: bonds (distance) C4'-P energy: -116.426 bonds (distance) P-C4' energy: -127.584 flat angles C4'-P-C4' energy: -130.864 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: -80.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -944.602066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.602066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.602066 (E_RNA) where: Base-Base interactions energy: -502.416 where: short stacking energy: -288.387 Base-Backbone interact. energy: 2.001 local terms energy: -444.187458 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -132.919 flat angles C4'-P-C4' energy: -115.665 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: -7.346 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: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -908.680325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.680325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.680325 (E_RNA) where: Base-Base interactions energy: -503.332 where: short stacking energy: -239.728 Base-Backbone interact. energy: 0.738 local terms energy: -406.086128 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -104.857 flat angles C4'-P-C4' energy: -123.448 flat angles P-C4'-P energy: -45.072 tors. eta vs tors. theta energy: -8.621 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: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2693.444809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.444809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.444809 (E_RNA) where: Base-Base interactions energy: -1862.005 where: short stacking energy: -753.418 Base-Backbone interact. energy: -5.508 local terms energy: -825.932070 where: bonds (distance) C4'-P energy: -147.988 bonds (distance) P-C4' energy: -167.112 flat angles C4'-P-C4' energy: -172.262 flat angles P-C4'-P energy: -131.500 tors. eta vs tors. theta energy: -207.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2670.833983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.833983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.833983 (E_RNA) where: Base-Base interactions energy: -1815.600 where: short stacking energy: -820.886 Base-Backbone interact. energy: -3.756 local terms energy: -851.477595 where: bonds (distance) C4'-P energy: -146.395 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -177.545 flat angles P-C4'-P energy: -123.884 tors. eta vs tors. theta energy: -256.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2505.611694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.611694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.611694 (E_RNA) where: Base-Base interactions energy: -1740.356 where: short stacking energy: -739.434 Base-Backbone interact. energy: -1.596 local terms energy: -763.659356 where: bonds (distance) C4'-P energy: -144.675 bonds (distance) P-C4' energy: -144.010 flat angles C4'-P-C4' energy: -164.432 flat angles P-C4'-P energy: -95.390 tors. eta vs tors. theta energy: -215.153 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: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2283.829739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.829739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.829739 (E_RNA) where: Base-Base interactions energy: -1537.362 where: short stacking energy: -640.755 Base-Backbone interact. energy: -5.320 local terms energy: -741.147281 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -147.608 flat angles C4'-P-C4' energy: -163.756 flat angles P-C4'-P energy: -110.085 tors. eta vs tors. theta energy: -176.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2223.912313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.912313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.912313 (E_RNA) where: Base-Base interactions energy: -1528.600 where: short stacking energy: -652.776 Base-Backbone interact. energy: -3.053 local terms energy: -692.259731 where: bonds (distance) C4'-P energy: -118.266 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -163.245 flat angles P-C4'-P energy: -91.301 tors. eta vs tors. theta energy: -193.102 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: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2086.473972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.473972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.473972 (E_RNA) where: Base-Base interactions energy: -1406.705 where: short stacking energy: -587.543 Base-Backbone interact. energy: 2.171 local terms energy: -681.939778 where: bonds (distance) C4'-P energy: -145.314 bonds (distance) P-C4' energy: -124.855 flat angles C4'-P-C4' energy: -153.911 flat angles P-C4'-P energy: -102.270 tors. eta vs tors. theta energy: -155.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1913.842722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.842722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.842722 (E_RNA) where: Base-Base interactions energy: -1296.250 where: short stacking energy: -585.655 Base-Backbone interact. energy: -0.661 local terms energy: -616.931995 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -130.123 flat angles C4'-P-C4' energy: -133.246 flat angles P-C4'-P energy: -77.359 tors. eta vs tors. theta energy: -146.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1427.552862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.552862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.552862 (E_RNA) where: Base-Base interactions energy: -878.352 where: short stacking energy: -433.977 Base-Backbone interact. energy: 0.736 local terms energy: -549.936552 where: bonds (distance) C4'-P energy: -114.823 bonds (distance) P-C4' energy: -150.696 flat angles C4'-P-C4' energy: -126.880 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -89.883 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: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -944.079005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.079005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.079005 (E_RNA) where: Base-Base interactions energy: -505.222 where: short stacking energy: -285.412 Base-Backbone interact. energy: 7.515 local terms energy: -446.371869 where: bonds (distance) C4'-P energy: -126.540 bonds (distance) P-C4' energy: -125.710 flat angles C4'-P-C4' energy: -109.086 flat angles P-C4'-P energy: -64.876 tors. eta vs tors. theta energy: -20.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -970.227670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.227670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.227670 (E_RNA) where: Base-Base interactions energy: -569.296 where: short stacking energy: -271.227 Base-Backbone interact. energy: -3.322 local terms energy: -397.610073 where: bonds (distance) C4'-P energy: -106.781 bonds (distance) P-C4' energy: -125.927 flat angles C4'-P-C4' energy: -97.374 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: 1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2688.609976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.609976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.609976 (E_RNA) where: Base-Base interactions energy: -1867.937 where: short stacking energy: -758.105 Base-Backbone interact. energy: -4.289 local terms energy: -816.384371 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -153.395 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -122.546 tors. eta vs tors. theta energy: -219.660 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: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2650.960716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.960716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.960716 (E_RNA) where: Base-Base interactions energy: -1800.287 where: short stacking energy: -825.511 Base-Backbone interact. energy: -0.726 local terms energy: -849.947348 where: bonds (distance) C4'-P energy: -147.635 bonds (distance) P-C4' energy: -150.026 flat angles C4'-P-C4' energy: -176.501 flat angles P-C4'-P energy: -119.057 tors. eta vs tors. theta energy: -256.729 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: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2494.850969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.850969 (E_RNA) where: Base-Base interactions energy: -1704.216 where: short stacking energy: -753.234 Base-Backbone interact. energy: -2.244 local terms energy: -788.391218 where: bonds (distance) C4'-P energy: -150.704 bonds (distance) P-C4' energy: -138.195 flat angles C4'-P-C4' energy: -155.730 flat angles P-C4'-P energy: -115.655 tors. eta vs tors. theta energy: -228.107 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: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2317.347788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.347788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.347788 (E_RNA) where: Base-Base interactions energy: -1578.663 where: short stacking energy: -677.384 Base-Backbone interact. energy: -3.094 local terms energy: -735.590512 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -146.454 flat angles C4'-P-C4' energy: -166.985 flat angles P-C4'-P energy: -102.530 tors. eta vs tors. theta energy: -186.903 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2223.783763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.783763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.783763 (E_RNA) where: Base-Base interactions energy: -1508.268 where: short stacking energy: -673.579 Base-Backbone interact. energy: 2.496 local terms energy: -718.011473 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -146.818 flat angles C4'-P-C4' energy: -157.902 flat angles P-C4'-P energy: -101.198 tors. eta vs tors. theta energy: -184.808 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: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2045.041698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.041698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.041698 (E_RNA) where: Base-Base interactions energy: -1400.568 where: short stacking energy: -580.860 Base-Backbone interact. energy: -4.613 local terms energy: -639.860228 where: bonds (distance) C4'-P energy: -128.959 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -130.090 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -157.910 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: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1903.915273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.915273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.915273 (E_RNA) where: Base-Base interactions energy: -1256.937 where: short stacking energy: -545.897 Base-Backbone interact. energy: -6.154 local terms energy: -640.824776 where: bonds (distance) C4'-P energy: -129.097 bonds (distance) P-C4' energy: -129.649 flat angles C4'-P-C4' energy: -155.095 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -142.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1401.275027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.275027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.275027 (E_RNA) where: Base-Base interactions energy: -867.482 where: short stacking energy: -396.262 Base-Backbone interact. energy: 3.009 local terms energy: -536.802499 where: bonds (distance) C4'-P energy: -119.945 bonds (distance) P-C4' energy: -141.073 flat angles C4'-P-C4' energy: -122.276 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -64.955 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: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -965.971530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.971530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.971530 (E_RNA) where: Base-Base interactions energy: -568.954 where: short stacking energy: -272.160 Base-Backbone interact. energy: -0.610 local terms energy: -396.408166 where: bonds (distance) C4'-P energy: -114.307 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -94.918 flat angles P-C4'-P energy: -46.589 tors. eta vs tors. theta energy: 6.610 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: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -881.986948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.986948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.986948 (E_RNA) where: Base-Base interactions energy: -465.689 where: short stacking energy: -246.594 Base-Backbone interact. energy: -1.589 local terms energy: -414.708108 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -135.933 flat angles C4'-P-C4' energy: -108.176 flat angles P-C4'-P energy: -36.287 tors. eta vs tors. theta energy: -21.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2691.372479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.372479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.372479 (E_RNA) where: Base-Base interactions energy: -1865.554 where: short stacking energy: -768.502 Base-Backbone interact. energy: 0.103 local terms energy: -825.921475 where: bonds (distance) C4'-P energy: -152.439 bonds (distance) P-C4' energy: -159.579 flat angles C4'-P-C4' energy: -174.624 flat angles P-C4'-P energy: -128.568 tors. eta vs tors. theta energy: -210.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2700.830879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.830879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.830879 (E_RNA) where: Base-Base interactions energy: -1843.819 where: short stacking energy: -823.103 Base-Backbone interact. energy: -1.940 local terms energy: -855.072006 where: bonds (distance) C4'-P energy: -148.615 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -176.482 flat angles P-C4'-P energy: -117.491 tors. eta vs tors. theta energy: -266.870 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: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2473.836944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.836944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.836944 (E_RNA) where: Base-Base interactions energy: -1700.897 where: short stacking energy: -720.416 Base-Backbone interact. energy: -3.511 local terms energy: -769.428579 where: bonds (distance) C4'-P energy: -143.078 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -156.167 flat angles P-C4'-P energy: -100.046 tors. eta vs tors. theta energy: -224.784 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: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2321.967329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.967329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.967329 (E_RNA) where: Base-Base interactions energy: -1568.281 where: short stacking energy: -677.885 Base-Backbone interact. energy: -3.693 local terms energy: -749.993173 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -161.203 flat angles P-C4'-P energy: -111.941 tors. eta vs tors. theta energy: -183.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2291.083028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.083028 (E_RNA) where: Base-Base interactions energy: -1583.836 where: short stacking energy: -679.228 Base-Backbone interact. energy: -3.012 local terms energy: -704.235105 where: bonds (distance) C4'-P energy: -126.843 bonds (distance) P-C4' energy: -121.155 flat angles C4'-P-C4' energy: -150.745 flat angles P-C4'-P energy: -110.360 tors. eta vs tors. theta energy: -195.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2024.732958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.732958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.732958 (E_RNA) where: Base-Base interactions energy: -1384.825 where: short stacking energy: -592.131 Base-Backbone interact. energy: -3.057 local terms energy: -636.851097 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -145.921 flat angles C4'-P-C4' energy: -152.472 flat angles P-C4'-P energy: -72.125 tors. eta vs tors. theta energy: -139.227 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: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1944.355936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.355936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.355936 (E_RNA) where: Base-Base interactions energy: -1292.132 where: short stacking energy: -582.257 Base-Backbone interact. energy: -1.264 local terms energy: -650.959440 where: bonds (distance) C4'-P energy: -124.243 bonds (distance) P-C4' energy: -134.359 flat angles C4'-P-C4' energy: -140.400 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -157.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1447.345182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.345182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.345182 (E_RNA) where: Base-Base interactions energy: -870.047 where: short stacking energy: -437.456 Base-Backbone interact. energy: -6.630 local terms energy: -570.668767 where: bonds (distance) C4'-P energy: -131.163 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -130.216 flat angles P-C4'-P energy: -75.076 tors. eta vs tors. theta energy: -101.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -976.402283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.402283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.402283 (E_RNA) where: Base-Base interactions energy: -540.434 where: short stacking energy: -296.117 Base-Backbone interact. energy: -0.608 local terms energy: -435.359691 where: bonds (distance) C4'-P energy: -118.640 bonds (distance) P-C4' energy: -122.569 flat angles C4'-P-C4' energy: -113.538 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: -10.371 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: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -812.254368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.254368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.254368 (E_RNA) where: Base-Base interactions energy: -388.344 where: short stacking energy: -227.878 Base-Backbone interact. energy: -2.105 local terms energy: -421.805273 where: bonds (distance) C4'-P energy: -119.226 bonds (distance) P-C4' energy: -133.208 flat angles C4'-P-C4' energy: -109.180 flat angles P-C4'-P energy: -62.706 tors. eta vs tors. theta energy: 2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2732.670405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.670405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.670405 (E_RNA) where: Base-Base interactions energy: -1844.745 where: short stacking energy: -827.412 Base-Backbone interact. energy: -2.454 local terms energy: -885.471507 where: bonds (distance) C4'-P energy: -157.270 bonds (distance) P-C4' energy: -168.572 flat angles C4'-P-C4' energy: -180.467 flat angles P-C4'-P energy: -121.513 tors. eta vs tors. theta energy: -257.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2652.030911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.030911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.030911 (E_RNA) where: Base-Base interactions energy: -1844.762 where: short stacking energy: -760.658 Base-Backbone interact. energy: -1.667 local terms energy: -805.601267 where: bonds (distance) C4'-P energy: -152.805 bonds (distance) P-C4' energy: -150.531 flat angles C4'-P-C4' energy: -172.783 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -211.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2483.914121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.914121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.914121 (E_RNA) where: Base-Base interactions energy: -1706.232 where: short stacking energy: -734.276 Base-Backbone interact. energy: -0.636 local terms energy: -777.047010 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -138.121 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -123.690 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: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2296.512821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.512821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.512821 (E_RNA) where: Base-Base interactions energy: -1553.717 where: short stacking energy: -652.147 Base-Backbone interact. energy: -2.532 local terms energy: -740.264489 where: bonds (distance) C4'-P energy: -148.190 bonds (distance) P-C4' energy: -143.487 flat angles C4'-P-C4' energy: -163.682 flat angles P-C4'-P energy: -108.378 tors. eta vs tors. theta energy: -176.527 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: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2301.269781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.269781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.269781 (E_RNA) where: Base-Base interactions energy: -1603.324 where: short stacking energy: -694.477 Base-Backbone interact. energy: -3.459 local terms energy: -694.487622 where: bonds (distance) C4'-P energy: -131.132 bonds (distance) P-C4' energy: -116.205 flat angles C4'-P-C4' energy: -163.377 flat angles P-C4'-P energy: -88.081 tors. eta vs tors. theta energy: -195.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2033.695626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.695626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.695626 (E_RNA) where: Base-Base interactions energy: -1424.283 where: short stacking energy: -578.513 Base-Backbone interact. energy: 3.919 local terms energy: -613.331330 where: bonds (distance) C4'-P energy: -135.978 bonds (distance) P-C4' energy: -123.421 flat angles C4'-P-C4' energy: -115.575 flat angles P-C4'-P energy: -83.384 tors. eta vs tors. theta energy: -154.973 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: 438 Temperature: 1.200000 Total energy: -1872.846285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.846285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.846285 (E_RNA) where: Base-Base interactions energy: -1280.442 where: short stacking energy: -560.766 Base-Backbone interact. energy: -2.169 local terms energy: -590.235211 where: bonds (distance) C4'-P energy: -123.310 bonds (distance) P-C4' energy: -130.762 flat angles C4'-P-C4' energy: -137.219 flat angles P-C4'-P energy: -78.714 tors. eta vs tors. theta energy: -120.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1383.290757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.290757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.290757 (E_RNA) where: Base-Base interactions energy: -864.856 where: short stacking energy: -404.528 Base-Backbone interact. energy: -4.095 local terms energy: -514.339269 where: bonds (distance) C4'-P energy: -103.792 bonds (distance) P-C4' energy: -132.402 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -80.661 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: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1149.737739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.737739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.737739 (E_RNA) where: Base-Base interactions energy: -702.892 where: short stacking energy: -323.255 Base-Backbone interact. energy: 3.639 local terms energy: -450.485082 where: bonds (distance) C4'-P energy: -103.764 bonds (distance) P-C4' energy: -126.896 flat angles C4'-P-C4' energy: -113.075 flat angles P-C4'-P energy: -69.176 tors. eta vs tors. theta energy: -37.574 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: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -917.844953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.844953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.844953 (E_RNA) where: Base-Base interactions energy: -502.574 where: short stacking energy: -261.189 Base-Backbone interact. energy: 5.021 local terms energy: -420.291886 where: bonds (distance) C4'-P energy: -105.534 bonds (distance) P-C4' energy: -123.543 flat angles C4'-P-C4' energy: -124.863 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -10.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2730.473626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.473626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.473626 (E_RNA) where: Base-Base interactions energy: -1880.811 where: short stacking energy: -831.761 Base-Backbone interact. energy: -3.523 local terms energy: -846.140090 where: bonds (distance) C4'-P energy: -149.522 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -177.154 flat angles P-C4'-P energy: -123.341 tors. eta vs tors. theta energy: -263.023 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: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2650.381574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.381574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.381574 (E_RNA) where: Base-Base interactions energy: -1870.320 where: short stacking energy: -773.409 Base-Backbone interact. energy: -3.959 local terms energy: -776.102144 where: bonds (distance) C4'-P energy: -157.199 bonds (distance) P-C4' energy: -151.006 flat angles C4'-P-C4' energy: -153.722 flat angles P-C4'-P energy: -110.392 tors. eta vs tors. theta energy: -203.783 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: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2440.571290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.571290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.571290 (E_RNA) where: Base-Base interactions energy: -1688.981 where: short stacking energy: -709.443 Base-Backbone interact. energy: -2.678 local terms energy: -748.912356 where: bonds (distance) C4'-P energy: -140.933 bonds (distance) P-C4' energy: -142.794 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -196.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2347.864185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.864185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.864185 (E_RNA) where: Base-Base interactions energy: -1641.028 where: short stacking energy: -672.180 Base-Backbone interact. energy: -3.207 local terms energy: -703.629118 where: bonds (distance) C4'-P energy: -130.266 bonds (distance) P-C4' energy: -117.489 flat angles C4'-P-C4' energy: -155.571 flat angles P-C4'-P energy: -120.724 tors. eta vs tors. theta energy: -179.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2293.027442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.027442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.027442 (E_RNA) where: Base-Base interactions energy: -1582.825 where: short stacking energy: -653.646 Base-Backbone interact. energy: -3.977 local terms energy: -706.226092 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -125.304 flat angles C4'-P-C4' energy: -164.170 flat angles P-C4'-P energy: -109.512 tors. eta vs tors. theta energy: -192.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2069.897509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.897509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.897509 (E_RNA) where: Base-Base interactions energy: -1397.456 where: short stacking energy: -575.384 Base-Backbone interact. energy: -1.083 local terms energy: -671.359061 where: bonds (distance) C4'-P energy: -141.535 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -154.154 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -150.506 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: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1845.562559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.562559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.562559 (E_RNA) where: Base-Base interactions energy: -1247.411 where: short stacking energy: -549.190 Base-Backbone interact. energy: -0.790 local terms energy: -597.361490 where: bonds (distance) C4'-P energy: -126.817 bonds (distance) P-C4' energy: -117.204 flat angles C4'-P-C4' energy: -133.191 flat angles P-C4'-P energy: -85.821 tors. eta vs tors. theta energy: -134.328 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: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1375.157605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.157605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.157605 (E_RNA) where: Base-Base interactions energy: -840.515 where: short stacking energy: -422.016 Base-Backbone interact. energy: 8.152 local terms energy: -542.794540 where: bonds (distance) C4'-P energy: -111.234 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -121.296 flat angles P-C4'-P energy: -95.422 tors. eta vs tors. theta energy: -89.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1118.409568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.409568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.409568 (E_RNA) where: Base-Base interactions energy: -644.566 where: short stacking energy: -295.687 Base-Backbone interact. energy: 3.591 local terms energy: -477.434351 where: bonds (distance) C4'-P energy: -113.830 bonds (distance) P-C4' energy: -132.245 flat angles C4'-P-C4' energy: -125.942 flat angles P-C4'-P energy: -78.084 tors. eta vs tors. theta energy: -27.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -886.737117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.737117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.737117 (E_RNA) where: Base-Base interactions energy: -441.385 where: short stacking energy: -227.054 Base-Backbone interact. energy: 2.803 local terms energy: -448.155529 where: bonds (distance) C4'-P energy: -101.839 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -122.925 flat angles P-C4'-P energy: -79.704 tors. eta vs tors. theta energy: 1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2735.167670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.167670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.167670 (E_RNA) where: Base-Base interactions energy: -1848.881 where: short stacking energy: -812.558 Base-Backbone interact. energy: -5.380 local terms energy: -880.906878 where: bonds (distance) C4'-P energy: -153.692 bonds (distance) P-C4' energy: -152.856 flat angles C4'-P-C4' energy: -175.191 flat angles P-C4'-P energy: -138.460 tors. eta vs tors. theta energy: -260.709 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: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2645.130392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.130392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.130392 (E_RNA) where: Base-Base interactions energy: -1878.936 where: short stacking energy: -748.090 Base-Backbone interact. energy: 0.671 local terms energy: -766.866079 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -141.841 flat angles C4'-P-C4' energy: -171.158 flat angles P-C4'-P energy: -111.083 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: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2460.119956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.119956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.119956 (E_RNA) where: Base-Base interactions energy: -1716.333 where: short stacking energy: -723.896 Base-Backbone interact. energy: 0.719 local terms energy: -744.506169 where: bonds (distance) C4'-P energy: -122.819 bonds (distance) P-C4' energy: -138.788 flat angles C4'-P-C4' energy: -169.674 flat angles P-C4'-P energy: -106.138 tors. eta vs tors. theta energy: -207.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2321.388722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.388722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.388722 (E_RNA) where: Base-Base interactions energy: -1586.555 where: short stacking energy: -659.873 Base-Backbone interact. energy: -0.130 local terms energy: -734.703159 where: bonds (distance) C4'-P energy: -144.359 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -159.596 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -180.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2340.413362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.413362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.413362 (E_RNA) where: Base-Base interactions energy: -1629.808 where: short stacking energy: -684.790 Base-Backbone interact. energy: -0.226 local terms energy: -710.379105 where: bonds (distance) C4'-P energy: -126.623 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -145.202 flat angles P-C4'-P energy: -96.384 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: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2040.774857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.774857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.774857 (E_RNA) where: Base-Base interactions energy: -1396.870 where: short stacking energy: -591.686 Base-Backbone interact. energy: -3.187 local terms energy: -640.717777 where: bonds (distance) C4'-P energy: -123.189 bonds (distance) P-C4' energy: -134.786 flat angles C4'-P-C4' energy: -139.872 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: -153.726 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: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1908.873868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.873868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.873868 (E_RNA) where: Base-Base interactions energy: -1292.891 where: short stacking energy: -542.615 Base-Backbone interact. energy: 5.846 local terms energy: -621.828692 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -141.982 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -129.191 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: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1417.114490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.114490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.114490 (E_RNA) where: Base-Base interactions energy: -864.843 where: short stacking energy: -428.243 Base-Backbone interact. energy: -0.862 local terms energy: -551.409806 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -136.154 flat angles C4'-P-C4' energy: -120.419 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: -90.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1160.600066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.600066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.600066 (E_RNA) where: Base-Base interactions energy: -686.940 where: short stacking energy: -327.789 Base-Backbone interact. energy: -1.033 local terms energy: -472.626756 where: bonds (distance) C4'-P energy: -116.525 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -139.138 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: -40.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -876.142095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.142095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.142095 (E_RNA) where: Base-Base interactions energy: -431.326 where: short stacking energy: -234.316 Base-Backbone interact. energy: -5.694 local terms energy: -439.121548 where: bonds (distance) C4'-P energy: -118.163 bonds (distance) P-C4' energy: -139.056 flat angles C4'-P-C4' energy: -132.125 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: 6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2742.897685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.897685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.897685 (E_RNA) where: Base-Base interactions energy: -1869.311 where: short stacking energy: -874.216 Base-Backbone interact. energy: -1.709 local terms energy: -871.877786 where: bonds (distance) C4'-P energy: -159.497 bonds (distance) P-C4' energy: -148.501 flat angles C4'-P-C4' energy: -173.910 flat angles P-C4'-P energy: -124.422 tors. eta vs tors. theta energy: -265.548 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: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2655.488042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.488042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.488042 (E_RNA) where: Base-Base interactions energy: -1840.451 where: short stacking energy: -755.410 Base-Backbone interact. energy: -7.278 local terms energy: -807.759478 where: bonds (distance) C4'-P energy: -157.128 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -169.441 flat angles P-C4'-P energy: -105.968 tors. eta vs tors. theta energy: -216.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2505.428528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.428528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.428528 (E_RNA) where: Base-Base interactions energy: -1739.320 where: short stacking energy: -730.769 Base-Backbone interact. energy: -5.361 local terms energy: -760.747953 where: bonds (distance) C4'-P energy: -141.821 bonds (distance) P-C4' energy: -144.801 flat angles C4'-P-C4' energy: -162.320 flat angles P-C4'-P energy: -99.025 tors. eta vs tors. theta energy: -212.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2372.846564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.846564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.846564 (E_RNA) where: Base-Base interactions energy: -1612.808 where: short stacking energy: -696.219 Base-Backbone interact. energy: 1.772 local terms energy: -761.809920 where: bonds (distance) C4'-P energy: -154.822 bonds (distance) P-C4' energy: -146.513 flat angles C4'-P-C4' energy: -156.422 flat angles P-C4'-P energy: -100.115 tors. eta vs tors. theta energy: -203.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2247.507033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.507033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.507033 (E_RNA) where: Base-Base interactions energy: -1547.243 where: short stacking energy: -629.901 Base-Backbone interact. energy: -3.021 local terms energy: -697.243800 where: bonds (distance) C4'-P energy: -123.354 bonds (distance) P-C4' energy: -144.544 flat angles C4'-P-C4' energy: -153.135 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -185.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2064.517791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.517791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.517791 (E_RNA) where: Base-Base interactions energy: -1392.371 where: short stacking energy: -589.435 Base-Backbone interact. energy: 0.084 local terms energy: -672.231675 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -154.343 flat angles P-C4'-P energy: -97.828 tors. eta vs tors. theta energy: -145.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1898.033344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.033344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.033344 (E_RNA) where: Base-Base interactions energy: -1263.929 where: short stacking energy: -550.697 Base-Backbone interact. energy: -2.415 local terms energy: -631.689562 where: bonds (distance) C4'-P energy: -125.054 bonds (distance) P-C4' energy: -135.568 flat angles C4'-P-C4' energy: -143.378 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -148.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1445.420660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.420660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.420660 (E_RNA) where: Base-Base interactions energy: -911.296 where: short stacking energy: -437.323 Base-Backbone interact. energy: 3.754 local terms energy: -537.878816 where: bonds (distance) C4'-P energy: -127.183 bonds (distance) P-C4' energy: -119.401 flat angles C4'-P-C4' energy: -137.752 flat angles P-C4'-P energy: -72.369 tors. eta vs tors. theta energy: -81.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1105.121029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.121029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.121029 (E_RNA) where: Base-Base interactions energy: -636.158 where: short stacking energy: -303.669 Base-Backbone interact. energy: -0.210 local terms energy: -468.753485 where: bonds (distance) C4'-P energy: -129.054 bonds (distance) P-C4' energy: -119.180 flat angles C4'-P-C4' energy: -130.138 flat angles P-C4'-P energy: -67.005 tors. eta vs tors. theta energy: -23.377 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: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -875.760888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.760888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.760888 (E_RNA) where: Base-Base interactions energy: -493.376 where: short stacking energy: -239.293 Base-Backbone interact. energy: 4.458 local terms energy: -386.842639 where: bonds (distance) C4'-P energy: -122.524 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -92.197 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -1.461 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: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2713.886816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.886816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.886816 (E_RNA) where: Base-Base interactions energy: -1867.402 where: short stacking energy: -856.574 Base-Backbone interact. energy: 1.306 local terms energy: -847.791152 where: bonds (distance) C4'-P energy: -141.534 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -182.867 flat angles P-C4'-P energy: -117.533 tors. eta vs tors. theta energy: -259.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2674.618546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.618546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.618546 (E_RNA) where: Base-Base interactions energy: -1890.454 where: short stacking energy: -760.341 Base-Backbone interact. energy: -8.537 local terms energy: -775.627720 where: bonds (distance) C4'-P energy: -139.167 bonds (distance) P-C4' energy: -157.386 flat angles C4'-P-C4' energy: -168.790 flat angles P-C4'-P energy: -99.135 tors. eta vs tors. theta energy: -211.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2481.110741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.110741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.110741 (E_RNA) where: Base-Base interactions energy: -1718.248 where: short stacking energy: -711.872 Base-Backbone interact. energy: -4.788 local terms energy: -758.074857 where: bonds (distance) C4'-P energy: -132.814 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -163.638 flat angles P-C4'-P energy: -108.748 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: 442 Temperature: 1.050000 Total energy: -2412.613355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.613355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.613355 (E_RNA) where: Base-Base interactions energy: -1648.749 where: short stacking energy: -733.650 Base-Backbone interact. energy: -0.063 local terms energy: -763.800669 where: bonds (distance) C4'-P energy: -154.472 bonds (distance) P-C4' energy: -131.207 flat angles C4'-P-C4' energy: -169.954 flat angles P-C4'-P energy: -96.070 tors. eta vs tors. theta energy: -212.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2278.962236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.962236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.962236 (E_RNA) where: Base-Base interactions energy: -1609.644 where: short stacking energy: -672.541 Base-Backbone interact. energy: 2.217 local terms energy: -671.534622 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -130.354 flat angles C4'-P-C4' energy: -153.245 flat angles P-C4'-P energy: -108.364 tors. eta vs tors. theta energy: -176.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2050.364686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.364686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.364686 (E_RNA) where: Base-Base interactions energy: -1402.576 where: short stacking energy: -563.876 Base-Backbone interact. energy: 3.797 local terms energy: -651.585197 where: bonds (distance) C4'-P energy: -99.689 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -160.142 flat angles P-C4'-P energy: -86.968 tors. eta vs tors. theta energy: -155.883 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1854.144999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.144999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.144999 (E_RNA) where: Base-Base interactions energy: -1241.024 where: short stacking energy: -549.760 Base-Backbone interact. energy: 2.654 local terms energy: -615.774710 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -141.288 flat angles P-C4'-P energy: -83.696 tors. eta vs tors. theta energy: -124.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1351.761694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.761694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.761694 (E_RNA) where: Base-Base interactions energy: -828.940 where: short stacking energy: -370.745 Base-Backbone interact. energy: -2.201 local terms energy: -520.620336 where: bonds (distance) C4'-P energy: -123.988 bonds (distance) P-C4' energy: -124.929 flat angles C4'-P-C4' energy: -128.122 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -67.464 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1157.336507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.336507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.336507 (E_RNA) where: Base-Base interactions energy: -658.530 where: short stacking energy: -335.148 Base-Backbone interact. energy: -2.931 local terms energy: -495.875649 where: bonds (distance) C4'-P energy: -136.510 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -123.406 flat angles P-C4'-P energy: -62.081 tors. eta vs tors. theta energy: -50.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -820.266133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.266133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.266133 (E_RNA) where: Base-Base interactions energy: -432.605 where: short stacking energy: -238.512 Base-Backbone interact. energy: 6.922 local terms energy: -394.583030 where: bonds (distance) C4'-P energy: -105.839 bonds (distance) P-C4' energy: -115.996 flat angles C4'-P-C4' energy: -127.643 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: 12.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2730.905498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.905498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.905498 (E_RNA) where: Base-Base interactions energy: -1870.870 where: short stacking energy: -839.103 Base-Backbone interact. energy: -5.504 local terms energy: -854.531008 where: bonds (distance) C4'-P energy: -151.454 bonds (distance) P-C4' energy: -158.876 flat angles C4'-P-C4' energy: -181.886 flat angles P-C4'-P energy: -114.836 tors. eta vs tors. theta energy: -247.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2683.457235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.457235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.457235 (E_RNA) where: Base-Base interactions energy: -1872.305 where: short stacking energy: -741.586 Base-Backbone interact. energy: -6.800 local terms energy: -804.352641 where: bonds (distance) C4'-P energy: -167.363 bonds (distance) P-C4' energy: -130.679 flat angles C4'-P-C4' energy: -170.229 flat angles P-C4'-P energy: -131.115 tors. eta vs tors. theta energy: -204.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2422.455215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.455215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.455215 (E_RNA) where: Base-Base interactions energy: -1663.406 where: short stacking energy: -713.486 Base-Backbone interact. energy: 2.319 local terms energy: -761.368286 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -149.690 flat angles P-C4'-P energy: -125.089 tors. eta vs tors. theta energy: -202.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2411.269335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.269335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.269335 (E_RNA) where: Base-Base interactions energy: -1662.436 where: short stacking energy: -732.485 Base-Backbone interact. energy: 10.514 local terms energy: -759.347065 where: bonds (distance) C4'-P energy: -150.628 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -166.850 flat angles P-C4'-P energy: -107.217 tors. eta vs tors. theta energy: -200.544 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2257.146993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.146993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.146993 (E_RNA) where: Base-Base interactions energy: -1581.181 where: short stacking energy: -656.160 Base-Backbone interact. energy: -2.184 local terms energy: -673.781787 where: bonds (distance) C4'-P energy: -136.340 bonds (distance) P-C4' energy: -131.651 flat angles C4'-P-C4' energy: -139.549 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -180.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2013.460056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.460056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.460056 (E_RNA) where: Base-Base interactions energy: -1372.849 where: short stacking energy: -603.840 Base-Backbone interact. energy: -4.120 local terms energy: -636.491698 where: bonds (distance) C4'-P energy: -109.738 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -142.546 flat angles P-C4'-P energy: -93.081 tors. eta vs tors. theta energy: -155.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1854.293247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.293247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.293247 (E_RNA) where: Base-Base interactions energy: -1252.079 where: short stacking energy: -525.201 Base-Backbone interact. energy: -3.213 local terms energy: -599.001100 where: bonds (distance) C4'-P energy: -119.335 bonds (distance) P-C4' energy: -118.657 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -122.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1375.991223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.991223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.991223 (E_RNA) where: Base-Base interactions energy: -859.124 where: short stacking energy: -391.000 Base-Backbone interact. energy: -3.273 local terms energy: -513.593901 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -128.722 flat angles C4'-P-C4' energy: -127.354 flat angles P-C4'-P energy: -73.679 tors. eta vs tors. theta energy: -63.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1145.283648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.283648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.283648 (E_RNA) where: Base-Base interactions energy: -700.041 where: short stacking energy: -356.468 Base-Backbone interact. energy: 1.517 local terms energy: -446.759850 where: bonds (distance) C4'-P energy: -124.891 bonds (distance) P-C4' energy: -122.358 flat angles C4'-P-C4' energy: -113.061 flat angles P-C4'-P energy: -56.022 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: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -876.058694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.058694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.058694 (E_RNA) where: Base-Base interactions energy: -471.855 where: short stacking energy: -258.833 Base-Backbone interact. energy: 2.342 local terms energy: -406.545516 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -110.137 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -17.983 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: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2755.193281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.193281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.193281 (E_RNA) where: Base-Base interactions energy: -1895.413 where: short stacking energy: -826.134 Base-Backbone interact. energy: 1.576 local terms energy: -861.356058 where: bonds (distance) C4'-P energy: -152.623 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -174.079 flat angles P-C4'-P energy: -122.194 tors. eta vs tors. theta energy: -260.739 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: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2646.596004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.596004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.596004 (E_RNA) where: Base-Base interactions energy: -1831.665 where: short stacking energy: -759.824 Base-Backbone interact. energy: -5.182 local terms energy: -809.748887 where: bonds (distance) C4'-P energy: -161.414 bonds (distance) P-C4' energy: -147.230 flat angles C4'-P-C4' energy: -181.232 flat angles P-C4'-P energy: -106.401 tors. eta vs tors. theta energy: -213.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2458.691131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.691131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.691131 (E_RNA) where: Base-Base interactions energy: -1713.574 where: short stacking energy: -720.383 Base-Backbone interact. energy: -5.002 local terms energy: -740.115324 where: bonds (distance) C4'-P energy: -143.539 bonds (distance) P-C4' energy: -117.709 flat angles C4'-P-C4' energy: -166.002 flat angles P-C4'-P energy: -112.285 tors. eta vs tors. theta energy: -200.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2386.687988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.687988 (E_RNA) where: Base-Base interactions energy: -1621.638 where: short stacking energy: -676.091 Base-Backbone interact. energy: -3.333 local terms energy: -761.716386 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -152.854 flat angles C4'-P-C4' energy: -173.775 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -197.558 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: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2260.520701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.520701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.520701 (E_RNA) where: Base-Base interactions energy: -1579.246 where: short stacking energy: -662.342 Base-Backbone interact. energy: -0.949 local terms energy: -680.325757 where: bonds (distance) C4'-P energy: -136.459 bonds (distance) P-C4' energy: -124.904 flat angles C4'-P-C4' energy: -139.613 flat angles P-C4'-P energy: -91.170 tors. eta vs tors. theta energy: -188.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2048.686314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.686314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.686314 (E_RNA) where: Base-Base interactions energy: -1389.954 where: short stacking energy: -561.185 Base-Backbone interact. energy: -0.391 local terms energy: -658.341941 where: bonds (distance) C4'-P energy: -148.907 bonds (distance) P-C4' energy: -129.245 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -146.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1867.647732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.647732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.647732 (E_RNA) where: Base-Base interactions energy: -1271.841 where: short stacking energy: -552.297 Base-Backbone interact. energy: 3.347 local terms energy: -599.153935 where: bonds (distance) C4'-P energy: -123.343 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -140.127 flat angles P-C4'-P energy: -75.075 tors. eta vs tors. theta energy: -134.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1386.152629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.152629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.152629 (E_RNA) where: Base-Base interactions energy: -835.198 where: short stacking energy: -396.530 Base-Backbone interact. energy: 1.178 local terms energy: -552.132146 where: bonds (distance) C4'-P energy: -148.819 bonds (distance) P-C4' energy: -135.522 flat angles C4'-P-C4' energy: -135.052 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -62.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1182.203858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.203858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.203858 (E_RNA) where: Base-Base interactions energy: -719.826 where: short stacking energy: -324.682 Base-Backbone interact. energy: -1.820 local terms energy: -460.557978 where: bonds (distance) C4'-P energy: -107.230 bonds (distance) P-C4' energy: -140.446 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -38.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -849.506485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.506485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.506485 (E_RNA) where: Base-Base interactions energy: -416.503 where: short stacking energy: -242.260 Base-Backbone interact. energy: -3.143 local terms energy: -429.860268 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -69.564 tors. eta vs tors. theta energy: 1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2739.205255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.205255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.205255 (E_RNA) where: Base-Base interactions energy: -1880.500 where: short stacking energy: -829.670 Base-Backbone interact. energy: -3.321 local terms energy: -855.384135 where: bonds (distance) C4'-P energy: -144.240 bonds (distance) P-C4' energy: -142.571 flat angles C4'-P-C4' energy: -188.110 flat angles P-C4'-P energy: -128.414 tors. eta vs tors. theta energy: -252.050 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: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2673.466882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.466882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.466882 (E_RNA) where: Base-Base interactions energy: -1905.169 where: short stacking energy: -767.529 Base-Backbone interact. energy: 1.363 local terms energy: -769.660176 where: bonds (distance) C4'-P energy: -114.894 bonds (distance) P-C4' energy: -151.775 flat angles C4'-P-C4' energy: -171.885 flat angles P-C4'-P energy: -120.471 tors. eta vs tors. theta energy: -210.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2433.356429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.356429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.356429 (E_RNA) where: Base-Base interactions energy: -1652.492 where: short stacking energy: -694.590 Base-Backbone interact. energy: 0.305 local terms energy: -781.169329 where: bonds (distance) C4'-P energy: -145.037 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -174.493 flat angles P-C4'-P energy: -115.467 tors. eta vs tors. theta energy: -194.104 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: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2380.059120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.059120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.059120 (E_RNA) where: Base-Base interactions energy: -1644.106 where: short stacking energy: -731.782 Base-Backbone interact. energy: 0.806 local terms energy: -736.758418 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -119.099 flat angles C4'-P-C4' energy: -159.289 flat angles P-C4'-P energy: -91.973 tors. eta vs tors. theta energy: -209.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2202.205303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.205303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.205303 (E_RNA) where: Base-Base interactions energy: -1539.822 where: short stacking energy: -635.333 Base-Backbone interact. energy: -0.503 local terms energy: -661.880443 where: bonds (distance) C4'-P energy: -126.159 bonds (distance) P-C4' energy: -142.333 flat angles C4'-P-C4' energy: -146.505 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -159.163 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: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2056.101826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.101826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.101826 (E_RNA) where: Base-Base interactions energy: -1407.980 where: short stacking energy: -608.048 Base-Backbone interact. energy: 1.893 local terms energy: -650.015353 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -127.108 flat angles C4'-P-C4' energy: -147.541 flat angles P-C4'-P energy: -93.542 tors. eta vs tors. theta energy: -152.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1921.223351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.223351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.223351 (E_RNA) where: Base-Base interactions energy: -1294.803 where: short stacking energy: -564.030 Base-Backbone interact. energy: -1.300 local terms energy: -625.120189 where: bonds (distance) C4'-P energy: -112.571 bonds (distance) P-C4' energy: -132.319 flat angles C4'-P-C4' energy: -144.687 flat angles P-C4'-P energy: -93.687 tors. eta vs tors. theta energy: -141.857 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: 445 Temperature: 1.250000 Total energy: -1359.513169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.513169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.513169 (E_RNA) where: Base-Base interactions energy: -816.425 where: short stacking energy: -382.781 Base-Backbone interact. energy: 3.612 local terms energy: -546.699883 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -121.821 flat angles P-C4'-P energy: -91.839 tors. eta vs tors. theta energy: -80.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1105.648244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.648244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.648244 (E_RNA) where: Base-Base interactions energy: -640.117 where: short stacking energy: -313.930 Base-Backbone interact. energy: 5.893 local terms energy: -471.424999 where: bonds (distance) C4'-P energy: -101.304 bonds (distance) P-C4' energy: -142.991 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -85.478 tors. eta vs tors. theta energy: -20.366 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: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -819.557391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.557391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.557391 (E_RNA) where: Base-Base interactions energy: -447.662 where: short stacking energy: -256.875 Base-Backbone interact. energy: -2.103 local terms energy: -369.792453 where: bonds (distance) C4'-P energy: -114.661 bonds (distance) P-C4' energy: -119.910 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: 15.357 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: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2739.853050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.853050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.853050 (E_RNA) where: Base-Base interactions energy: -1863.526 where: short stacking energy: -827.949 Base-Backbone interact. energy: -2.649 local terms energy: -873.677712 where: bonds (distance) C4'-P energy: -151.819 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -177.604 flat angles P-C4'-P energy: -133.317 tors. eta vs tors. theta energy: -264.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2647.670685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.670685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.670685 (E_RNA) where: Base-Base interactions energy: -1892.698 where: short stacking energy: -773.135 Base-Backbone interact. energy: -0.981 local terms energy: -753.991637 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -129.059 flat angles C4'-P-C4' energy: -166.704 flat angles P-C4'-P energy: -111.487 tors. eta vs tors. theta energy: -216.282 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: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2443.920400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.920400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.920400 (E_RNA) where: Base-Base interactions energy: -1676.526 where: short stacking energy: -723.196 Base-Backbone interact. energy: -0.750 local terms energy: -766.645348 where: bonds (distance) C4'-P energy: -151.157 bonds (distance) P-C4' energy: -151.413 flat angles C4'-P-C4' energy: -155.538 flat angles P-C4'-P energy: -104.861 tors. eta vs tors. theta energy: -203.677 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: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2391.405365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.405365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.405365 (E_RNA) where: Base-Base interactions energy: -1652.707 where: short stacking energy: -736.996 Base-Backbone interact. energy: -2.083 local terms energy: -736.615584 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -161.316 flat angles P-C4'-P energy: -110.455 tors. eta vs tors. theta energy: -211.622 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: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2199.133196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.133196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.133196 (E_RNA) where: Base-Base interactions energy: -1526.652 where: short stacking energy: -656.085 Base-Backbone interact. energy: -1.056 local terms energy: -671.425063 where: bonds (distance) C4'-P energy: -141.348 bonds (distance) P-C4' energy: -124.513 flat angles C4'-P-C4' energy: -134.366 flat angles P-C4'-P energy: -90.917 tors. eta vs tors. theta energy: -180.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2023.845832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.845832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.845832 (E_RNA) where: Base-Base interactions energy: -1372.859 where: short stacking energy: -582.247 Base-Backbone interact. energy: 1.674 local terms energy: -652.661153 where: bonds (distance) C4'-P energy: -134.176 bonds (distance) P-C4' energy: -131.930 flat angles C4'-P-C4' energy: -141.753 flat angles P-C4'-P energy: -92.892 tors. eta vs tors. theta energy: -151.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1868.730652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.730652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.730652 (E_RNA) where: Base-Base interactions energy: -1253.563 where: short stacking energy: -577.872 Base-Backbone interact. energy: -0.404 local terms energy: -614.763739 where: bonds (distance) C4'-P energy: -115.427 bonds (distance) P-C4' energy: -139.271 flat angles C4'-P-C4' energy: -145.215 flat angles P-C4'-P energy: -69.471 tors. eta vs tors. theta energy: -145.380 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: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1416.450756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.450756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.450756 (E_RNA) where: Base-Base interactions energy: -868.658 where: short stacking energy: -408.367 Base-Backbone interact. energy: -3.388 local terms energy: -544.405424 where: bonds (distance) C4'-P energy: -142.709 bonds (distance) P-C4' energy: -123.167 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -78.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1056.446497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.446497 (E_RNA) where: Base-Base interactions energy: -614.030 where: short stacking energy: -297.568 Base-Backbone interact. energy: -0.373 local terms energy: -442.043665 where: bonds (distance) C4'-P energy: -114.760 bonds (distance) P-C4' energy: -126.879 flat angles C4'-P-C4' energy: -104.897 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -32.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -848.731299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.731299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.731299 (E_RNA) where: Base-Base interactions energy: -462.186 where: short stacking energy: -260.172 Base-Backbone interact. energy: 2.679 local terms energy: -389.223675 where: bonds (distance) C4'-P energy: -108.776 bonds (distance) P-C4' energy: -120.963 flat angles C4'-P-C4' energy: -112.944 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: 16.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2772.505141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.505141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.505141 (E_RNA) where: Base-Base interactions energy: -1867.947 where: short stacking energy: -854.364 Base-Backbone interact. energy: -4.186 local terms energy: -900.372218 where: bonds (distance) C4'-P energy: -157.448 bonds (distance) P-C4' energy: -155.358 flat angles C4'-P-C4' energy: -197.583 flat angles P-C4'-P energy: -134.271 tors. eta vs tors. theta energy: -255.713 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: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2667.340618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.340618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.340618 (E_RNA) where: Base-Base interactions energy: -1890.011 where: short stacking energy: -750.244 Base-Backbone interact. energy: -0.702 local terms energy: -776.628428 where: bonds (distance) C4'-P energy: -140.899 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -169.779 flat angles P-C4'-P energy: -118.375 tors. eta vs tors. theta energy: -208.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2430.103125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.103125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.103125 (E_RNA) where: Base-Base interactions energy: -1675.534 where: short stacking energy: -679.516 Base-Backbone interact. energy: -5.315 local terms energy: -749.253831 where: bonds (distance) C4'-P energy: -143.555 bonds (distance) P-C4' energy: -143.577 flat angles C4'-P-C4' energy: -165.016 flat angles P-C4'-P energy: -112.021 tors. eta vs tors. theta energy: -185.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2398.613380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.613380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.613380 (E_RNA) where: Base-Base interactions energy: -1624.248 where: short stacking energy: -731.421 Base-Backbone interact. energy: -3.340 local terms energy: -771.025365 where: bonds (distance) C4'-P energy: -128.880 bonds (distance) P-C4' energy: -133.494 flat angles C4'-P-C4' energy: -177.256 flat angles P-C4'-P energy: -105.381 tors. eta vs tors. theta energy: -226.014 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2204.577108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.577108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.577108 (E_RNA) where: Base-Base interactions energy: -1516.884 where: short stacking energy: -621.303 Base-Backbone interact. energy: -1.529 local terms energy: -686.164297 where: bonds (distance) C4'-P energy: -126.442 bonds (distance) P-C4' energy: -132.571 flat angles C4'-P-C4' energy: -153.080 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -168.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2179.818915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.818915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.818915 (E_RNA) where: Base-Base interactions energy: -1489.690 where: short stacking energy: -642.541 Base-Backbone interact. energy: 3.212 local terms energy: -693.340970 where: bonds (distance) C4'-P energy: -133.018 bonds (distance) P-C4' energy: -137.712 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -175.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1887.855567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.855567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.855567 (E_RNA) where: Base-Base interactions energy: -1239.186 where: short stacking energy: -548.108 Base-Backbone interact. energy: -1.025 local terms energy: -647.644649 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -135.318 flat angles C4'-P-C4' energy: -151.168 flat angles P-C4'-P energy: -98.099 tors. eta vs tors. theta energy: -134.001 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1386.989305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.989305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.989305 (E_RNA) where: Base-Base interactions energy: -868.013 where: short stacking energy: -407.738 Base-Backbone interact. energy: -4.202 local terms energy: -514.773897 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -136.532 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -68.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -997.649729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.649729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.649729 (E_RNA) where: Base-Base interactions energy: -560.856 where: short stacking energy: -296.948 Base-Backbone interact. energy: 2.187 local terms energy: -438.980417 where: bonds (distance) C4'-P energy: -104.979 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -103.748 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -13.311 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: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -851.508150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.508150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.508150 (E_RNA) where: Base-Base interactions energy: -419.791 where: short stacking energy: -228.677 Base-Backbone interact. energy: -5.105 local terms energy: -426.612070 where: bonds (distance) C4'-P energy: -114.086 bonds (distance) P-C4' energy: -137.579 flat angles C4'-P-C4' energy: -117.290 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2748.687321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.687321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.687321 (E_RNA) where: Base-Base interactions energy: -1869.081 where: short stacking energy: -853.996 Base-Backbone interact. energy: -4.717 local terms energy: -874.889716 where: bonds (distance) C4'-P energy: -146.787 bonds (distance) P-C4' energy: -151.834 flat angles C4'-P-C4' energy: -185.946 flat angles P-C4'-P energy: -124.961 tors. eta vs tors. theta energy: -265.362 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: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2653.851078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.851078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.851078 (E_RNA) where: Base-Base interactions energy: -1853.063 where: short stacking energy: -749.250 Base-Backbone interact. energy: -0.273 local terms energy: -800.515724 where: bonds (distance) C4'-P energy: -141.904 bonds (distance) P-C4' energy: -158.711 flat angles C4'-P-C4' energy: -177.397 flat angles P-C4'-P energy: -115.995 tors. eta vs tors. theta energy: -206.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2444.778159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.778159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.778159 (E_RNA) where: Base-Base interactions energy: -1703.935 where: short stacking energy: -730.923 Base-Backbone interact. energy: -5.145 local terms energy: -735.698144 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -154.200 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -198.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2352.536739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.536739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.536739 (E_RNA) where: Base-Base interactions energy: -1593.744 where: short stacking energy: -700.716 Base-Backbone interact. energy: 0.887 local terms energy: -759.680164 where: bonds (distance) C4'-P energy: -147.232 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -171.243 flat angles P-C4'-P energy: -100.388 tors. eta vs tors. theta energy: -198.689 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: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2134.754496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.754496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.754496 (E_RNA) where: Base-Base interactions energy: -1473.529 where: short stacking energy: -619.714 Base-Backbone interact. energy: -0.963 local terms energy: -660.262385 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -168.129 flat angles P-C4'-P energy: -85.810 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: 6, replica: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2157.305636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.305636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.305636 (E_RNA) where: Base-Base interactions energy: -1479.479 where: short stacking energy: -655.073 Base-Backbone interact. energy: -1.800 local terms energy: -676.027547 where: bonds (distance) C4'-P energy: -124.108 bonds (distance) P-C4' energy: -120.188 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -179.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1990.699822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.699822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.699822 (E_RNA) where: Base-Base interactions energy: -1359.628 where: short stacking energy: -576.097 Base-Backbone interact. energy: -1.015 local terms energy: -630.056664 where: bonds (distance) C4'-P energy: -130.532 bonds (distance) P-C4' energy: -149.303 flat angles C4'-P-C4' energy: -145.770 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -124.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1419.210398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.210398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.210398 (E_RNA) where: Base-Base interactions energy: -884.652 where: short stacking energy: -408.152 Base-Backbone interact. energy: -2.709 local terms energy: -531.849982 where: bonds (distance) C4'-P energy: -132.248 bonds (distance) P-C4' energy: -126.273 flat angles C4'-P-C4' energy: -130.063 flat angles P-C4'-P energy: -81.799 tors. eta vs tors. theta energy: -61.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1034.836446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.836446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.836446 (E_RNA) where: Base-Base interactions energy: -581.256 where: short stacking energy: -287.366 Base-Backbone interact. energy: 3.343 local terms energy: -456.923865 where: bonds (distance) C4'-P energy: -132.863 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -115.955 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -17.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -815.685857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.685857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.685857 (E_RNA) where: Base-Base interactions energy: -406.669 where: short stacking energy: -206.159 Base-Backbone interact. energy: -0.368 local terms energy: -408.649143 where: bonds (distance) C4'-P energy: -121.959 bonds (distance) P-C4' energy: -119.459 flat angles C4'-P-C4' energy: -111.525 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: 13.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2772.179520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.179520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.179520 (E_RNA) where: Base-Base interactions energy: -1897.996 where: short stacking energy: -873.381 Base-Backbone interact. energy: -3.172 local terms energy: -871.011090 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -159.176 flat angles C4'-P-C4' energy: -177.125 flat angles P-C4'-P energy: -123.547 tors. eta vs tors. theta energy: -260.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2708.239727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.239727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.239727 (E_RNA) where: Base-Base interactions energy: -1895.846 where: short stacking energy: -767.956 Base-Backbone interact. energy: -2.460 local terms energy: -809.933668 where: bonds (distance) C4'-P energy: -151.137 bonds (distance) P-C4' energy: -142.731 flat angles C4'-P-C4' energy: -178.310 flat angles P-C4'-P energy: -124.559 tors. eta vs tors. theta energy: -213.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2441.292221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.292221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.292221 (E_RNA) where: Base-Base interactions energy: -1670.708 where: short stacking energy: -715.719 Base-Backbone interact. energy: -0.836 local terms energy: -769.748706 where: bonds (distance) C4'-P energy: -151.430 bonds (distance) P-C4' energy: -143.083 flat angles C4'-P-C4' energy: -172.405 flat angles P-C4'-P energy: -102.740 tors. eta vs tors. theta energy: -200.091 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: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2418.729945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.729945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.729945 (E_RNA) where: Base-Base interactions energy: -1634.438 where: short stacking energy: -682.096 Base-Backbone interact. energy: -1.868 local terms energy: -782.424656 where: bonds (distance) C4'-P energy: -158.150 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -166.756 flat angles P-C4'-P energy: -101.631 tors. eta vs tors. theta energy: -205.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2215.271659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.271659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.271659 (E_RNA) where: Base-Base interactions energy: -1511.956 where: short stacking energy: -611.705 Base-Backbone interact. energy: -1.961 local terms energy: -701.354790 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -133.903 flat angles C4'-P-C4' energy: -168.407 flat angles P-C4'-P energy: -112.152 tors. eta vs tors. theta energy: -158.304 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: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2085.575006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.575006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.575006 (E_RNA) where: Base-Base interactions energy: -1436.190 where: short stacking energy: -600.057 Base-Backbone interact. energy: -3.445 local terms energy: -645.939822 where: bonds (distance) C4'-P energy: -123.056 bonds (distance) P-C4' energy: -131.054 flat angles C4'-P-C4' energy: -140.782 flat angles P-C4'-P energy: -91.275 tors. eta vs tors. theta energy: -159.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1966.240612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.240612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.240612 (E_RNA) where: Base-Base interactions energy: -1303.452 where: short stacking energy: -583.106 Base-Backbone interact. energy: -4.535 local terms energy: -658.254094 where: bonds (distance) C4'-P energy: -137.557 bonds (distance) P-C4' energy: -143.144 flat angles C4'-P-C4' energy: -137.418 flat angles P-C4'-P energy: -91.553 tors. eta vs tors. theta energy: -148.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1344.150040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.150040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.150040 (E_RNA) where: Base-Base interactions energy: -846.499 where: short stacking energy: -425.294 Base-Backbone interact. energy: -1.523 local terms energy: -496.128042 where: bonds (distance) C4'-P energy: -116.556 bonds (distance) P-C4' energy: -106.903 flat angles C4'-P-C4' energy: -125.429 flat angles P-C4'-P energy: -88.880 tors. eta vs tors. theta energy: -58.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -989.909506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.909506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.909506 (E_RNA) where: Base-Base interactions energy: -506.344 where: short stacking energy: -281.627 Base-Backbone interact. energy: -2.615 local terms energy: -480.950405 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -128.225 flat angles C4'-P-C4' energy: -122.144 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -875.115851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.115851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.115851 (E_RNA) where: Base-Base interactions energy: -428.453 where: short stacking energy: -237.192 Base-Backbone interact. energy: -2.243 local terms energy: -444.420050 where: bonds (distance) C4'-P energy: -112.737 bonds (distance) P-C4' energy: -133.019 flat angles C4'-P-C4' energy: -110.187 flat angles P-C4'-P energy: -71.760 tors. eta vs tors. theta energy: -16.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2734.694053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.694053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.694053 (E_RNA) where: Base-Base interactions energy: -1848.292 where: short stacking energy: -860.564 Base-Backbone interact. energy: -3.430 local terms energy: -882.972230 where: bonds (distance) C4'-P energy: -162.610 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -184.643 flat angles P-C4'-P energy: -115.463 tors. eta vs tors. theta energy: -271.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2636.437450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.437450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.437450 (E_RNA) where: Base-Base interactions energy: -1854.235 where: short stacking energy: -754.534 Base-Backbone interact. energy: -4.304 local terms energy: -777.899355 where: bonds (distance) C4'-P energy: -138.460 bonds (distance) P-C4' energy: -146.020 flat angles C4'-P-C4' energy: -168.718 flat angles P-C4'-P energy: -116.671 tors. eta vs tors. theta energy: -208.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2546.216844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.216844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.216844 (E_RNA) where: Base-Base interactions energy: -1748.893 where: short stacking energy: -771.897 Base-Backbone interact. energy: -0.883 local terms energy: -796.440887 where: bonds (distance) C4'-P energy: -143.606 bonds (distance) P-C4' energy: -154.605 flat angles C4'-P-C4' energy: -162.191 flat angles P-C4'-P energy: -110.910 tors. eta vs tors. theta energy: -225.129 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: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2358.643333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.643333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.643333 (E_RNA) where: Base-Base interactions energy: -1627.306 where: short stacking energy: -710.015 Base-Backbone interact. energy: -5.106 local terms energy: -726.231248 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -132.510 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -105.489 tors. eta vs tors. theta energy: -200.261 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: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2209.465130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.465130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.465130 (E_RNA) where: Base-Base interactions energy: -1525.511 where: short stacking energy: -619.916 Base-Backbone interact. energy: 1.129 local terms energy: -685.083187 where: bonds (distance) C4'-P energy: -145.911 bonds (distance) P-C4' energy: -125.202 flat angles C4'-P-C4' energy: -142.528 flat angles P-C4'-P energy: -101.844 tors. eta vs tors. theta energy: -169.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2092.479908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.479908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.479908 (E_RNA) where: Base-Base interactions energy: -1432.853 where: short stacking energy: -623.179 Base-Backbone interact. energy: -0.354 local terms energy: -659.272838 where: bonds (distance) C4'-P energy: -124.551 bonds (distance) P-C4' energy: -129.051 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -166.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1920.907563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.907563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.907563 (E_RNA) where: Base-Base interactions energy: -1295.312 where: short stacking energy: -601.242 Base-Backbone interact. energy: 3.220 local terms energy: -628.815500 where: bonds (distance) C4'-P energy: -115.880 bonds (distance) P-C4' energy: -128.344 flat angles C4'-P-C4' energy: -134.249 flat angles P-C4'-P energy: -104.597 tors. eta vs tors. theta energy: -145.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1340.155760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.155760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.155760 (E_RNA) where: Base-Base interactions energy: -827.335 where: short stacking energy: -398.653 Base-Backbone interact. energy: 0.731 local terms energy: -513.551652 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -141.653 flat angles C4'-P-C4' energy: -134.077 flat angles P-C4'-P energy: -68.542 tors. eta vs tors. theta energy: -69.482 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: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1026.438888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.438888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.438888 (E_RNA) where: Base-Base interactions energy: -607.867 where: short stacking energy: -290.573 Base-Backbone interact. energy: 8.202 local terms energy: -426.773074 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -121.711 flat angles C4'-P-C4' energy: -105.156 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -901.621990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.621990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.621990 (E_RNA) where: Base-Base interactions energy: -489.237 where: short stacking energy: -257.727 Base-Backbone interact. energy: 1.666 local terms energy: -414.051269 where: bonds (distance) C4'-P energy: -121.775 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -120.913 flat angles P-C4'-P energy: -55.517 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2734.562283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.562283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.562283 (E_RNA) where: Base-Base interactions energy: -1859.912 where: short stacking energy: -834.661 Base-Backbone interact. energy: -1.905 local terms energy: -872.745246 where: bonds (distance) C4'-P energy: -145.481 bonds (distance) P-C4' energy: -146.926 flat angles C4'-P-C4' energy: -198.797 flat angles P-C4'-P energy: -119.719 tors. eta vs tors. theta energy: -261.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2627.350907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.350907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.350907 (E_RNA) where: Base-Base interactions energy: -1826.517 where: short stacking energy: -754.651 Base-Backbone interact. energy: -5.088 local terms energy: -795.746138 where: bonds (distance) C4'-P energy: -157.548 bonds (distance) P-C4' energy: -163.243 flat angles C4'-P-C4' energy: -157.122 flat angles P-C4'-P energy: -105.384 tors. eta vs tors. theta energy: -212.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2502.599325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.599325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.599325 (E_RNA) where: Base-Base interactions energy: -1732.212 where: short stacking energy: -747.405 Base-Backbone interact. energy: -0.467 local terms energy: -769.920705 where: bonds (distance) C4'-P energy: -145.007 bonds (distance) P-C4' energy: -144.313 flat angles C4'-P-C4' energy: -161.767 flat angles P-C4'-P energy: -102.676 tors. eta vs tors. theta energy: -216.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2401.270714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.270714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.270714 (E_RNA) where: Base-Base interactions energy: -1648.043 where: short stacking energy: -707.129 Base-Backbone interact. energy: -0.480 local terms energy: -752.747791 where: bonds (distance) C4'-P energy: -130.101 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -156.060 flat angles P-C4'-P energy: -122.090 tors. eta vs tors. theta energy: -201.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2163.088522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.088522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.088522 (E_RNA) where: Base-Base interactions energy: -1491.052 where: short stacking energy: -599.873 Base-Backbone interact. energy: -2.597 local terms energy: -669.438771 where: bonds (distance) C4'-P energy: -141.506 bonds (distance) P-C4' energy: -125.034 flat angles C4'-P-C4' energy: -150.480 flat angles P-C4'-P energy: -95.781 tors. eta vs tors. theta energy: -156.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2116.515083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.515083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.515083 (E_RNA) where: Base-Base interactions energy: -1428.919 where: short stacking energy: -601.518 Base-Backbone interact. energy: -1.236 local terms energy: -686.359807 where: bonds (distance) C4'-P energy: -132.353 bonds (distance) P-C4' energy: -154.713 flat angles C4'-P-C4' energy: -144.941 flat angles P-C4'-P energy: -90.532 tors. eta vs tors. theta energy: -163.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1905.070287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.070287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.070287 (E_RNA) where: Base-Base interactions energy: -1263.928 where: short stacking energy: -559.043 Base-Backbone interact. energy: -3.257 local terms energy: -637.885273 where: bonds (distance) C4'-P energy: -131.486 bonds (distance) P-C4' energy: -118.949 flat angles C4'-P-C4' energy: -135.075 flat angles P-C4'-P energy: -98.136 tors. eta vs tors. theta energy: -154.241 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: 451 Temperature: 1.250000 Total energy: -1324.197188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.197188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.197188 (E_RNA) where: Base-Base interactions energy: -803.357 where: short stacking energy: -379.858 Base-Backbone interact. energy: -2.303 local terms energy: -518.537131 where: bonds (distance) C4'-P energy: -125.135 bonds (distance) P-C4' energy: -151.625 flat angles C4'-P-C4' energy: -113.241 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -48.505 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: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1115.727485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.727485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.727485 (E_RNA) where: Base-Base interactions energy: -662.608 where: short stacking energy: -336.653 Base-Backbone interact. energy: -0.034 local terms energy: -453.084858 where: bonds (distance) C4'-P energy: -100.395 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -116.003 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -35.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -887.444003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.444003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.444003 (E_RNA) where: Base-Base interactions energy: -467.706 where: short stacking energy: -235.576 Base-Backbone interact. energy: 0.580 local terms energy: -420.317275 where: bonds (distance) C4'-P energy: -123.128 bonds (distance) P-C4' energy: -124.588 flat angles C4'-P-C4' energy: -86.716 flat angles P-C4'-P energy: -80.041 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2747.868181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.868181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.868181 (E_RNA) where: Base-Base interactions energy: -1873.024 where: short stacking energy: -854.554 Base-Backbone interact. energy: -3.163 local terms energy: -871.681798 where: bonds (distance) C4'-P energy: -150.279 bonds (distance) P-C4' energy: -152.700 flat angles C4'-P-C4' energy: -185.374 flat angles P-C4'-P energy: -121.663 tors. eta vs tors. theta energy: -261.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2636.801265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.801265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.801265 (E_RNA) where: Base-Base interactions energy: -1862.588 where: short stacking energy: -748.711 Base-Backbone interact. energy: -4.956 local terms energy: -769.257445 where: bonds (distance) C4'-P energy: -135.021 bonds (distance) P-C4' energy: -132.825 flat angles C4'-P-C4' energy: -170.195 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -215.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2498.046034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.046034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.046034 (E_RNA) where: Base-Base interactions energy: -1726.070 where: short stacking energy: -750.476 Base-Backbone interact. energy: -2.548 local terms energy: -769.428623 where: bonds (distance) C4'-P energy: -137.429 bonds (distance) P-C4' energy: -132.451 flat angles C4'-P-C4' energy: -159.904 flat angles P-C4'-P energy: -113.587 tors. eta vs tors. theta energy: -226.058 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: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2385.421632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.421632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.421632 (E_RNA) where: Base-Base interactions energy: -1616.869 where: short stacking energy: -732.496 Base-Backbone interact. energy: 2.741 local terms energy: -771.293161 where: bonds (distance) C4'-P energy: -137.730 bonds (distance) P-C4' energy: -148.123 flat angles C4'-P-C4' energy: -160.765 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -216.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2199.610795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.610795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.610795 (E_RNA) where: Base-Base interactions energy: -1536.586 where: short stacking energy: -605.164 Base-Backbone interact. energy: -5.588 local terms energy: -657.436270 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -127.250 flat angles C4'-P-C4' energy: -147.029 flat angles P-C4'-P energy: -92.626 tors. eta vs tors. theta energy: -166.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2059.100719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.100719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.100719 (E_RNA) where: Base-Base interactions energy: -1368.316 where: short stacking energy: -590.203 Base-Backbone interact. energy: -2.017 local terms energy: -688.768386 where: bonds (distance) C4'-P energy: -141.656 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -154.337 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: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1994.645176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.645176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.645176 (E_RNA) where: Base-Base interactions energy: -1346.866 where: short stacking energy: -600.610 Base-Backbone interact. energy: -1.546 local terms energy: -646.233457 where: bonds (distance) C4'-P energy: -122.913 bonds (distance) P-C4' energy: -132.387 flat angles C4'-P-C4' energy: -150.861 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -154.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1340.540914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.540914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.540914 (E_RNA) where: Base-Base interactions energy: -805.464 where: short stacking energy: -371.987 Base-Backbone interact. energy: -2.819 local terms energy: -532.258124 where: bonds (distance) C4'-P energy: -125.243 bonds (distance) P-C4' energy: -158.366 flat angles C4'-P-C4' energy: -129.473 flat angles P-C4'-P energy: -66.801 tors. eta vs tors. theta energy: -52.376 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: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1103.110242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.110242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.110242 (E_RNA) where: Base-Base interactions energy: -594.794 where: short stacking energy: -297.726 Base-Backbone interact. energy: -1.768 local terms energy: -506.548932 where: bonds (distance) C4'-P energy: -122.020 bonds (distance) P-C4' energy: -139.864 flat angles C4'-P-C4' energy: -124.392 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -40.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -873.053466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.053466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.053466 (E_RNA) where: Base-Base interactions energy: -459.581 where: short stacking energy: -243.750 Base-Backbone interact. energy: -0.443 local terms energy: -413.029521 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -132.508 flat angles C4'-P-C4' energy: -119.400 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: 3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2743.982404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.982404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.982404 (E_RNA) where: Base-Base interactions energy: -1899.070 where: short stacking energy: -874.930 Base-Backbone interact. energy: -4.288 local terms energy: -840.624006 where: bonds (distance) C4'-P energy: -145.482 bonds (distance) P-C4' energy: -152.288 flat angles C4'-P-C4' energy: -170.728 flat angles P-C4'-P energy: -111.509 tors. eta vs tors. theta energy: -260.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2657.759470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.759470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.759470 (E_RNA) where: Base-Base interactions energy: -1872.814 where: short stacking energy: -780.581 Base-Backbone interact. energy: -2.174 local terms energy: -782.770914 where: bonds (distance) C4'-P energy: -137.443 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -176.096 flat angles P-C4'-P energy: -108.306 tors. eta vs tors. theta energy: -214.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2494.981615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.981615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.981615 (E_RNA) where: Base-Base interactions energy: -1715.459 where: short stacking energy: -746.941 Base-Backbone interact. energy: -3.809 local terms energy: -775.714386 where: bonds (distance) C4'-P energy: -131.700 bonds (distance) P-C4' energy: -157.657 flat angles C4'-P-C4' energy: -161.130 flat angles P-C4'-P energy: -107.239 tors. eta vs tors. theta energy: -217.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2366.477367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.477367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.477367 (E_RNA) where: Base-Base interactions energy: -1638.972 where: short stacking energy: -741.255 Base-Backbone interact. energy: -2.660 local terms energy: -724.845267 where: bonds (distance) C4'-P energy: -123.161 bonds (distance) P-C4' energy: -127.127 flat angles C4'-P-C4' energy: -173.640 flat angles P-C4'-P energy: -91.994 tors. eta vs tors. theta energy: -208.924 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: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2227.209175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.209175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.209175 (E_RNA) where: Base-Base interactions energy: -1530.246 where: short stacking energy: -623.135 Base-Backbone interact. energy: -4.092 local terms energy: -692.871786 where: bonds (distance) C4'-P energy: -142.808 bonds (distance) P-C4' energy: -130.346 flat angles C4'-P-C4' energy: -151.675 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -170.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2074.191441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.191441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.191441 (E_RNA) where: Base-Base interactions energy: -1371.360 where: short stacking energy: -592.546 Base-Backbone interact. energy: -3.437 local terms energy: -699.394545 where: bonds (distance) C4'-P energy: -135.590 bonds (distance) P-C4' energy: -137.849 flat angles C4'-P-C4' energy: -153.796 flat angles P-C4'-P energy: -112.644 tors. eta vs tors. theta energy: -159.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1896.998013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.998013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.998013 (E_RNA) where: Base-Base interactions energy: -1257.340 where: short stacking energy: -542.992 Base-Backbone interact. energy: -0.708 local terms energy: -638.950165 where: bonds (distance) C4'-P energy: -117.451 bonds (distance) P-C4' energy: -133.624 flat angles C4'-P-C4' energy: -139.803 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -147.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1375.956802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.956802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.956802 (E_RNA) where: Base-Base interactions energy: -852.071 where: short stacking energy: -419.321 Base-Backbone interact. energy: 6.139 local terms energy: -530.024363 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -139.846 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -70.884 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1136.097226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.097226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.097226 (E_RNA) where: Base-Base interactions energy: -696.887 where: short stacking energy: -341.589 Base-Backbone interact. energy: 3.177 local terms energy: -442.387313 where: bonds (distance) C4'-P energy: -106.146 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -126.601 flat angles P-C4'-P energy: -55.900 tors. eta vs tors. theta energy: -36.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -856.254306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.254306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.254306 (E_RNA) where: Base-Base interactions energy: -450.337 where: short stacking energy: -247.540 Base-Backbone interact. energy: 1.272 local terms energy: -407.189015 where: bonds (distance) C4'-P energy: -77.278 bonds (distance) P-C4' energy: -142.067 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -63.947 tors. eta vs tors. theta energy: -4.685 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2744.245637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.245637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.245637 (E_RNA) where: Base-Base interactions energy: -1861.996 where: short stacking energy: -827.931 Base-Backbone interact. energy: -3.400 local terms energy: -878.849574 where: bonds (distance) C4'-P energy: -152.552 bonds (distance) P-C4' energy: -142.775 flat angles C4'-P-C4' energy: -189.962 flat angles P-C4'-P energy: -133.167 tors. eta vs tors. theta energy: -260.394 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: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2698.900626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.900626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.900626 (E_RNA) where: Base-Base interactions energy: -1892.038 where: short stacking energy: -769.320 Base-Backbone interact. energy: -6.649 local terms energy: -800.213589 where: bonds (distance) C4'-P energy: -150.831 bonds (distance) P-C4' energy: -156.022 flat angles C4'-P-C4' energy: -172.115 flat angles P-C4'-P energy: -112.435 tors. eta vs tors. theta energy: -208.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2463.161747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.161747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.161747 (E_RNA) where: Base-Base interactions energy: -1672.172 where: short stacking energy: -742.337 Base-Backbone interact. energy: -1.703 local terms energy: -789.287090 where: bonds (distance) C4'-P energy: -150.057 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -163.857 flat angles P-C4'-P energy: -118.089 tors. eta vs tors. theta energy: -210.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2350.153618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.153618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.153618 (E_RNA) where: Base-Base interactions energy: -1577.799 where: short stacking energy: -683.683 Base-Backbone interact. energy: -3.640 local terms energy: -768.714525 where: bonds (distance) C4'-P energy: -157.267 bonds (distance) P-C4' energy: -142.646 flat angles C4'-P-C4' energy: -157.500 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -201.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2247.730664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.730664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.730664 (E_RNA) where: Base-Base interactions energy: -1549.193 where: short stacking energy: -650.192 Base-Backbone interact. energy: -3.507 local terms energy: -695.030494 where: bonds (distance) C4'-P energy: -128.803 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -151.729 flat angles P-C4'-P energy: -96.361 tors. eta vs tors. theta energy: -181.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2075.532326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.532326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.532326 (E_RNA) where: Base-Base interactions energy: -1431.224 where: short stacking energy: -606.290 Base-Backbone interact. energy: -2.227 local terms energy: -642.081743 where: bonds (distance) C4'-P energy: -133.956 bonds (distance) P-C4' energy: -136.050 flat angles C4'-P-C4' energy: -138.758 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -153.570 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: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1908.020893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.020893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.020893 (E_RNA) where: Base-Base interactions energy: -1286.701 where: short stacking energy: -570.930 Base-Backbone interact. energy: 5.302 local terms energy: -626.622484 where: bonds (distance) C4'-P energy: -117.534 bonds (distance) P-C4' energy: -126.178 flat angles C4'-P-C4' energy: -132.393 flat angles P-C4'-P energy: -105.643 tors. eta vs tors. theta energy: -144.874 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: 454 Temperature: 1.250000 Total energy: -1283.673974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.673974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.673974 (E_RNA) where: Base-Base interactions energy: -769.883 where: short stacking energy: -388.760 Base-Backbone interact. energy: -1.683 local terms energy: -512.108194 where: bonds (distance) C4'-P energy: -120.421 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -136.478 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -62.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1108.646181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.646181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.646181 (E_RNA) where: Base-Base interactions energy: -647.975 where: short stacking energy: -324.617 Base-Backbone interact. energy: -0.702 local terms energy: -459.969391 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -119.110 flat angles P-C4'-P energy: -60.941 tors. eta vs tors. theta energy: -36.560 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: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -849.795796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.795796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.795796 (E_RNA) where: Base-Base interactions energy: -465.450 where: short stacking energy: -250.619 Base-Backbone interact. energy: 0.791 local terms energy: -385.136911 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -97.898 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2748.343555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.343555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.343555 (E_RNA) where: Base-Base interactions energy: -1857.220 where: short stacking energy: -838.909 Base-Backbone interact. energy: -4.977 local terms energy: -886.147096 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -158.541 flat angles C4'-P-C4' energy: -182.908 flat angles P-C4'-P energy: -126.547 tors. eta vs tors. theta energy: -263.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2671.797895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.797895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.797895 (E_RNA) where: Base-Base interactions energy: -1858.845 where: short stacking energy: -764.811 Base-Backbone interact. energy: 1.710 local terms energy: -814.663568 where: bonds (distance) C4'-P energy: -145.717 bonds (distance) P-C4' energy: -153.168 flat angles C4'-P-C4' energy: -180.031 flat angles P-C4'-P energy: -125.690 tors. eta vs tors. theta energy: -210.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2521.602788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.602788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.602788 (E_RNA) where: Base-Base interactions energy: -1768.945 where: short stacking energy: -757.483 Base-Backbone interact. energy: -5.996 local terms energy: -746.661687 where: bonds (distance) C4'-P energy: -124.128 bonds (distance) P-C4' energy: -153.251 flat angles C4'-P-C4' energy: -151.186 flat angles P-C4'-P energy: -107.703 tors. eta vs tors. theta energy: -210.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2368.922816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.922816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.922816 (E_RNA) where: Base-Base interactions energy: -1603.032 where: short stacking energy: -717.757 Base-Backbone interact. energy: -4.347 local terms energy: -761.544434 where: bonds (distance) C4'-P energy: -140.395 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -168.724 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -204.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2252.486897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.486897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.486897 (E_RNA) where: Base-Base interactions energy: -1557.775 where: short stacking energy: -639.905 Base-Backbone interact. energy: -5.172 local terms energy: -689.540513 where: bonds (distance) C4'-P energy: -126.228 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -159.630 flat angles P-C4'-P energy: -87.988 tors. eta vs tors. theta energy: -174.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2007.249791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.249791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.249791 (E_RNA) where: Base-Base interactions energy: -1365.278 where: short stacking energy: -596.637 Base-Backbone interact. energy: 4.010 local terms energy: -645.981069 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -125.204 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -79.021 tors. eta vs tors. theta energy: -170.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1952.832704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.832704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.832704 (E_RNA) where: Base-Base interactions energy: -1324.963 where: short stacking energy: -560.574 Base-Backbone interact. energy: 3.579 local terms energy: -631.448520 where: bonds (distance) C4'-P energy: -138.865 bonds (distance) P-C4' energy: -132.210 flat angles C4'-P-C4' energy: -149.089 flat angles P-C4'-P energy: -68.896 tors. eta vs tors. theta energy: -142.389 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: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1290.267860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.267860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.267860 (E_RNA) where: Base-Base interactions energy: -794.188 where: short stacking energy: -363.504 Base-Backbone interact. energy: -3.674 local terms energy: -492.406382 where: bonds (distance) C4'-P energy: -130.482 bonds (distance) P-C4' energy: -144.995 flat angles C4'-P-C4' energy: -113.158 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -36.283 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: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1088.175900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.175900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.175900 (E_RNA) where: Base-Base interactions energy: -630.299 where: short stacking energy: -298.710 Base-Backbone interact. energy: -2.815 local terms energy: -455.061695 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -123.579 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -72.920 tors. eta vs tors. theta energy: -32.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -901.659378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.659378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.659378 (E_RNA) where: Base-Base interactions energy: -489.750 where: short stacking energy: -246.612 Base-Backbone interact. energy: 0.828 local terms energy: -412.736787 where: bonds (distance) C4'-P energy: -129.880 bonds (distance) P-C4' energy: -85.851 flat angles C4'-P-C4' energy: -123.665 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: -12.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2767.452827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.452827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.452827 (E_RNA) where: Base-Base interactions energy: -1893.798 where: short stacking energy: -879.225 Base-Backbone interact. energy: -1.061 local terms energy: -872.594350 where: bonds (distance) C4'-P energy: -142.086 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -191.684 flat angles P-C4'-P energy: -118.086 tors. eta vs tors. theta energy: -265.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2683.765569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.765569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.765569 (E_RNA) where: Base-Base interactions energy: -1907.829 where: short stacking energy: -760.995 Base-Backbone interact. energy: -6.241 local terms energy: -769.696063 where: bonds (distance) C4'-P energy: -146.798 bonds (distance) P-C4' energy: -134.683 flat angles C4'-P-C4' energy: -172.007 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -208.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2553.799347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.799347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.799347 (E_RNA) where: Base-Base interactions energy: -1760.761 where: short stacking energy: -739.902 Base-Backbone interact. energy: -1.217 local terms energy: -791.822201 where: bonds (distance) C4'-P energy: -139.715 bonds (distance) P-C4' energy: -163.761 flat angles C4'-P-C4' energy: -163.443 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -226.979 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: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2375.947148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.947148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.947148 (E_RNA) where: Base-Base interactions energy: -1666.742 where: short stacking energy: -690.442 Base-Backbone interact. energy: 8.069 local terms energy: -717.274753 where: bonds (distance) C4'-P energy: -135.634 bonds (distance) P-C4' energy: -146.465 flat angles C4'-P-C4' energy: -155.352 flat angles P-C4'-P energy: -92.717 tors. eta vs tors. theta energy: -187.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2218.741623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.741623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.741623 (E_RNA) where: Base-Base interactions energy: -1524.337 where: short stacking energy: -651.710 Base-Backbone interact. energy: -4.723 local terms energy: -689.682009 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -132.322 flat angles C4'-P-C4' energy: -145.595 flat angles P-C4'-P energy: -96.507 tors. eta vs tors. theta energy: -182.125 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: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2016.413789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.413789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.413789 (E_RNA) where: Base-Base interactions energy: -1356.421 where: short stacking energy: -620.776 Base-Backbone interact. energy: -3.046 local terms energy: -656.946878 where: bonds (distance) C4'-P energy: -114.355 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -92.032 tors. eta vs tors. theta energy: -163.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1985.803588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.803588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.803588 (E_RNA) where: Base-Base interactions energy: -1360.383 where: short stacking energy: -560.733 Base-Backbone interact. energy: -1.881 local terms energy: -623.539177 where: bonds (distance) C4'-P energy: -113.162 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -131.930 flat angles P-C4'-P energy: -99.319 tors. eta vs tors. theta energy: -146.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1285.920180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.920180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.920180 (E_RNA) where: Base-Base interactions energy: -796.258 where: short stacking energy: -374.608 Base-Backbone interact. energy: 4.470 local terms energy: -494.132109 where: bonds (distance) C4'-P energy: -122.601 bonds (distance) P-C4' energy: -114.344 flat angles C4'-P-C4' energy: -129.307 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -46.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1082.351285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.351285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.351285 (E_RNA) where: Base-Base interactions energy: -620.189 where: short stacking energy: -287.633 Base-Backbone interact. energy: 4.662 local terms energy: -466.825067 where: bonds (distance) C4'-P energy: -128.697 bonds (distance) P-C4' energy: -126.554 flat angles C4'-P-C4' energy: -107.258 flat angles P-C4'-P energy: -71.928 tors. eta vs tors. theta energy: -32.389 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: 1 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -868.235337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.235337 (E_RNA) where: Base-Base interactions energy: -455.425 where: short stacking energy: -246.786 Base-Backbone interact. energy: -3.354 local terms energy: -409.457284 where: bonds (distance) C4'-P energy: -127.555 bonds (distance) P-C4' energy: -108.174 flat angles C4'-P-C4' energy: -111.657 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -3.683 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: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2759.089396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.089396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.089396 (E_RNA) where: Base-Base interactions energy: -1871.977 where: short stacking energy: -854.297 Base-Backbone interact. energy: -3.459 local terms energy: -883.653423 where: bonds (distance) C4'-P energy: -154.657 bonds (distance) P-C4' energy: -156.402 flat angles C4'-P-C4' energy: -176.255 flat angles P-C4'-P energy: -131.522 tors. eta vs tors. theta energy: -264.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2674.758743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.758743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.758743 (E_RNA) where: Base-Base interactions energy: -1895.035 where: short stacking energy: -741.386 Base-Backbone interact. energy: -3.619 local terms energy: -776.104367 where: bonds (distance) C4'-P energy: -153.002 bonds (distance) P-C4' energy: -140.332 flat angles C4'-P-C4' energy: -161.654 flat angles P-C4'-P energy: -118.121 tors. eta vs tors. theta energy: -202.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2494.119636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.119636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.119636 (E_RNA) where: Base-Base interactions energy: -1712.717 where: short stacking energy: -751.634 Base-Backbone interact. energy: -5.521 local terms energy: -775.881462 where: bonds (distance) C4'-P energy: -141.160 bonds (distance) P-C4' energy: -147.508 flat angles C4'-P-C4' energy: -169.861 flat angles P-C4'-P energy: -108.629 tors. eta vs tors. theta energy: -208.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2438.455567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.455567 (E_RNA) where: Base-Base interactions energy: -1637.496 where: short stacking energy: -702.251 Base-Backbone interact. energy: -5.174 local terms energy: -795.784795 where: bonds (distance) C4'-P energy: -149.867 bonds (distance) P-C4' energy: -146.228 flat angles C4'-P-C4' energy: -175.372 flat angles P-C4'-P energy: -106.310 tors. eta vs tors. theta energy: -218.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2240.075684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.075684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.075684 (E_RNA) where: Base-Base interactions energy: -1558.221 where: short stacking energy: -627.368 Base-Backbone interact. energy: -0.960 local terms energy: -680.894364 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -154.409 flat angles P-C4'-P energy: -96.710 tors. eta vs tors. theta energy: -168.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1985.235359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.235359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.235359 (E_RNA) where: Base-Base interactions energy: -1313.099 where: short stacking energy: -593.536 Base-Backbone interact. energy: -8.123 local terms energy: -664.013641 where: bonds (distance) C4'-P energy: -121.233 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -147.161 flat angles P-C4'-P energy: -106.925 tors. eta vs tors. theta energy: -161.142 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: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1965.434449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.434449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.434449 (E_RNA) where: Base-Base interactions energy: -1327.424 where: short stacking energy: -566.073 Base-Backbone interact. energy: -0.845 local terms energy: -637.165751 where: bonds (distance) C4'-P energy: -140.072 bonds (distance) P-C4' energy: -132.878 flat angles C4'-P-C4' energy: -138.975 flat angles P-C4'-P energy: -92.279 tors. eta vs tors. theta energy: -132.961 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: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1266.971630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.971630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.971630 (E_RNA) where: Base-Base interactions energy: -758.797 where: short stacking energy: -372.791 Base-Backbone interact. energy: 3.011 local terms energy: -511.185386 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -135.171 flat angles C4'-P-C4' energy: -121.696 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -51.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1120.139480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.139480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.139480 (E_RNA) where: Base-Base interactions energy: -670.943 where: short stacking energy: -338.444 Base-Backbone interact. energy: -1.917 local terms energy: -447.279490 where: bonds (distance) C4'-P energy: -101.077 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -116.967 flat angles P-C4'-P energy: -63.128 tors. eta vs tors. theta energy: -31.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -863.117171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.117171 (E_RNA) where: Base-Base interactions energy: -425.901 where: short stacking energy: -229.774 Base-Backbone interact. energy: 6.218 local terms energy: -443.433784 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -123.075 flat angles C4'-P-C4' energy: -127.742 flat angles P-C4'-P energy: -58.190 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2765.377972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.377972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.377972 (E_RNA) where: Base-Base interactions energy: -1897.709 where: short stacking energy: -868.749 Base-Backbone interact. energy: -2.925 local terms energy: -864.744649 where: bonds (distance) C4'-P energy: -143.626 bonds (distance) P-C4' energy: -141.568 flat angles C4'-P-C4' energy: -180.700 flat angles P-C4'-P energy: -131.343 tors. eta vs tors. theta energy: -267.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2686.035404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.035404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.035404 (E_RNA) where: Base-Base interactions energy: -1883.404 where: short stacking energy: -756.306 Base-Backbone interact. energy: -4.347 local terms energy: -798.284512 where: bonds (distance) C4'-P energy: -161.162 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -173.554 flat angles P-C4'-P energy: -114.077 tors. eta vs tors. theta energy: -204.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2531.452772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.452772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.452772 (E_RNA) where: Base-Base interactions energy: -1755.038 where: short stacking energy: -754.555 Base-Backbone interact. energy: 5.070 local terms energy: -781.484347 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -159.443 flat angles C4'-P-C4' energy: -169.658 flat angles P-C4'-P energy: -95.884 tors. eta vs tors. theta energy: -219.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2337.117130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.117130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.117130 (E_RNA) where: Base-Base interactions energy: -1581.985 where: short stacking energy: -676.023 Base-Backbone interact. energy: -3.206 local terms energy: -751.925940 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -169.248 flat angles P-C4'-P energy: -101.709 tors. eta vs tors. theta energy: -200.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2249.541286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.541286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.541286 (E_RNA) where: Base-Base interactions energy: -1554.862 where: short stacking energy: -644.127 Base-Backbone interact. energy: 0.314 local terms energy: -694.992856 where: bonds (distance) C4'-P energy: -147.020 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -153.647 flat angles P-C4'-P energy: -105.256 tors. eta vs tors. theta energy: -162.804 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: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1965.793338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.793338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.793338 (E_RNA) where: Base-Base interactions energy: -1338.493 where: short stacking energy: -565.400 Base-Backbone interact. energy: -3.230 local terms energy: -624.070138 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -143.714 flat angles C4'-P-C4' energy: -140.982 flat angles P-C4'-P energy: -87.262 tors. eta vs tors. theta energy: -128.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1953.736230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.736230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.736230 (E_RNA) where: Base-Base interactions energy: -1320.575 where: short stacking energy: -556.927 Base-Backbone interact. energy: -3.590 local terms energy: -629.571031 where: bonds (distance) C4'-P energy: -133.036 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -139.943 flat angles P-C4'-P energy: -81.941 tors. eta vs tors. theta energy: -135.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1298.157303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.157303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.157303 (E_RNA) where: Base-Base interactions energy: -803.613 where: short stacking energy: -362.487 Base-Backbone interact. energy: 8.944 local terms energy: -503.487427 where: bonds (distance) C4'-P energy: -106.877 bonds (distance) P-C4' energy: -135.739 flat angles C4'-P-C4' energy: -120.193 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -65.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1118.921758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.921758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.921758 (E_RNA) where: Base-Base interactions energy: -624.453 where: short stacking energy: -317.610 Base-Backbone interact. energy: 7.451 local terms energy: -501.919334 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -126.694 flat angles C4'-P-C4' energy: -140.683 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -39.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -890.751165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.751165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.751165 (E_RNA) where: Base-Base interactions energy: -450.552 where: short stacking energy: -259.519 Base-Backbone interact. energy: 2.795 local terms energy: -442.993347 where: bonds (distance) C4'-P energy: -118.579 bonds (distance) P-C4' energy: -139.590 flat angles C4'-P-C4' energy: -125.939 flat angles P-C4'-P energy: -50.947 tors. eta vs tors. theta energy: -7.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2725.412627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.412627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.412627 (E_RNA) where: Base-Base interactions energy: -1861.575 where: short stacking energy: -832.475 Base-Backbone interact. energy: -2.493 local terms energy: -861.344403 where: bonds (distance) C4'-P energy: -158.601 bonds (distance) P-C4' energy: -153.860 flat angles C4'-P-C4' energy: -177.855 flat angles P-C4'-P energy: -117.189 tors. eta vs tors. theta energy: -253.840 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: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2670.659659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.659659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.659659 (E_RNA) where: Base-Base interactions energy: -1880.798 where: short stacking energy: -757.774 Base-Backbone interact. energy: -5.169 local terms energy: -784.692707 where: bonds (distance) C4'-P energy: -141.820 bonds (distance) P-C4' energy: -141.950 flat angles C4'-P-C4' energy: -171.043 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -214.258 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: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2521.465378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.465378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.465378 (E_RNA) where: Base-Base interactions energy: -1706.246 where: short stacking energy: -751.457 Base-Backbone interact. energy: -3.840 local terms energy: -811.379343 where: bonds (distance) C4'-P energy: -137.233 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -172.128 flat angles P-C4'-P energy: -115.186 tors. eta vs tors. theta energy: -225.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2336.148844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.148844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.148844 (E_RNA) where: Base-Base interactions energy: -1572.720 where: short stacking energy: -707.665 Base-Backbone interact. energy: -2.786 local terms energy: -760.642734 where: bonds (distance) C4'-P energy: -134.849 bonds (distance) P-C4' energy: -156.531 flat angles C4'-P-C4' energy: -161.702 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -197.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2252.556277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.556277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.556277 (E_RNA) where: Base-Base interactions energy: -1547.699 where: short stacking energy: -662.193 Base-Backbone interact. energy: -0.860 local terms energy: -703.996839 where: bonds (distance) C4'-P energy: -142.309 bonds (distance) P-C4' energy: -143.691 flat angles C4'-P-C4' energy: -145.413 flat angles P-C4'-P energy: -87.373 tors. eta vs tors. theta energy: -185.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2024.819391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.819391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.819391 (E_RNA) where: Base-Base interactions energy: -1355.067 where: short stacking energy: -577.057 Base-Backbone interact. energy: 0.596 local terms energy: -670.348610 where: bonds (distance) C4'-P energy: -128.157 bonds (distance) P-C4' energy: -142.577 flat angles C4'-P-C4' energy: -148.181 flat angles P-C4'-P energy: -94.310 tors. eta vs tors. theta energy: -157.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1877.719920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.719920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.719920 (E_RNA) where: Base-Base interactions energy: -1252.482 where: short stacking energy: -556.220 Base-Backbone interact. energy: -0.748 local terms energy: -624.490133 where: bonds (distance) C4'-P energy: -123.021 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -125.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1233.876106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.876106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.876106 (E_RNA) where: Base-Base interactions energy: -756.767 where: short stacking energy: -355.808 Base-Backbone interact. energy: -3.319 local terms energy: -473.790870 where: bonds (distance) C4'-P energy: -115.884 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -129.566 flat angles P-C4'-P energy: -75.410 tors. eta vs tors. theta energy: -45.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1161.236505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.236505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.236505 (E_RNA) where: Base-Base interactions energy: -652.362 where: short stacking energy: -310.690 Base-Backbone interact. energy: -0.328 local terms energy: -508.546893 where: bonds (distance) C4'-P energy: -144.869 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -129.700 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: -39.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -902.043630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.043630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.043630 (E_RNA) where: Base-Base interactions energy: -479.722 where: short stacking energy: -259.356 Base-Backbone interact. energy: 5.100 local terms energy: -427.422138 where: bonds (distance) C4'-P energy: -122.916 bonds (distance) P-C4' energy: -124.431 flat angles C4'-P-C4' energy: -106.447 flat angles P-C4'-P energy: -49.206 tors. eta vs tors. theta energy: -24.422 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: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2729.629792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.629792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.629792 (E_RNA) where: Base-Base interactions energy: -1880.016 where: short stacking energy: -859.434 Base-Backbone interact. energy: 0.156 local terms energy: -849.769232 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -142.040 flat angles C4'-P-C4' energy: -191.497 flat angles P-C4'-P energy: -108.021 tors. eta vs tors. theta energy: -261.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2660.361320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.361320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.361320 (E_RNA) where: Base-Base interactions energy: -1890.989 where: short stacking energy: -739.461 Base-Backbone interact. energy: -5.503 local terms energy: -763.868858 where: bonds (distance) C4'-P energy: -140.899 bonds (distance) P-C4' energy: -142.406 flat angles C4'-P-C4' energy: -179.079 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -201.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2522.740060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.740060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.740060 (E_RNA) where: Base-Base interactions energy: -1755.066 where: short stacking energy: -757.603 Base-Backbone interact. energy: -0.638 local terms energy: -767.035955 where: bonds (distance) C4'-P energy: -138.245 bonds (distance) P-C4' energy: -141.302 flat angles C4'-P-C4' energy: -160.279 flat angles P-C4'-P energy: -111.097 tors. eta vs tors. theta energy: -216.113 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: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2377.240846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.240846 (E_RNA) where: Base-Base interactions energy: -1610.398 where: short stacking energy: -703.300 Base-Backbone interact. energy: -3.947 local terms energy: -762.896600 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -158.164 flat angles C4'-P-C4' energy: -162.166 flat angles P-C4'-P energy: -99.650 tors. eta vs tors. theta energy: -212.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2289.846982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.846982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.846982 (E_RNA) where: Base-Base interactions energy: -1551.837 where: short stacking energy: -680.687 Base-Backbone interact. energy: -0.866 local terms energy: -737.144095 where: bonds (distance) C4'-P energy: -133.621 bonds (distance) P-C4' energy: -142.487 flat angles C4'-P-C4' energy: -177.676 flat angles P-C4'-P energy: -98.052 tors. eta vs tors. theta energy: -185.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2066.123473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.123473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.123473 (E_RNA) where: Base-Base interactions energy: -1383.694 where: short stacking energy: -569.430 Base-Backbone interact. energy: -4.466 local terms energy: -677.962679 where: bonds (distance) C4'-P energy: -122.389 bonds (distance) P-C4' energy: -139.541 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -161.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1779.797946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.797946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.797946 (E_RNA) where: Base-Base interactions energy: -1191.406 where: short stacking energy: -531.446 Base-Backbone interact. energy: -1.489 local terms energy: -586.903049 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -120.074 flat angles C4'-P-C4' energy: -141.707 flat angles P-C4'-P energy: -83.781 tors. eta vs tors. theta energy: -121.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1267.906320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.906320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.906320 (E_RNA) where: Base-Base interactions energy: -790.223 where: short stacking energy: -356.070 Base-Backbone interact. energy: 0.389 local terms energy: -478.072134 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -124.379 flat angles C4'-P-C4' energy: -137.341 flat angles P-C4'-P energy: -60.815 tors. eta vs tors. theta energy: -50.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1114.324353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.324353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.324353 (E_RNA) where: Base-Base interactions energy: -674.240 where: short stacking energy: -327.606 Base-Backbone interact. energy: 1.610 local terms energy: -441.695052 where: bonds (distance) C4'-P energy: -130.432 bonds (distance) P-C4' energy: -106.989 flat angles C4'-P-C4' energy: -109.648 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: -28.825 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: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -927.534146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.534146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.534146 (E_RNA) where: Base-Base interactions energy: -529.365 where: short stacking energy: -273.721 Base-Backbone interact. energy: -4.619 local terms energy: -393.549934 where: bonds (distance) C4'-P energy: -107.941 bonds (distance) P-C4' energy: -116.170 flat angles C4'-P-C4' energy: -108.773 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -10.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2762.545029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.545029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.545029 (E_RNA) where: Base-Base interactions energy: -1857.022 where: short stacking energy: -838.240 Base-Backbone interact. energy: -1.765 local terms energy: -903.758385 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -163.970 flat angles C4'-P-C4' energy: -187.101 flat angles P-C4'-P energy: -133.495 tors. eta vs tors. theta energy: -268.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2689.500922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.500922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.500922 (E_RNA) where: Base-Base interactions energy: -1917.669 where: short stacking energy: -751.834 Base-Backbone interact. energy: 2.651 local terms energy: -774.483482 where: bonds (distance) C4'-P energy: -144.978 bonds (distance) P-C4' energy: -152.971 flat angles C4'-P-C4' energy: -160.205 flat angles P-C4'-P energy: -116.228 tors. eta vs tors. theta energy: -200.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2527.151322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.151322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.151322 (E_RNA) where: Base-Base interactions energy: -1723.641 where: short stacking energy: -752.726 Base-Backbone interact. energy: -0.871 local terms energy: -802.639168 where: bonds (distance) C4'-P energy: -155.027 bonds (distance) P-C4' energy: -148.519 flat angles C4'-P-C4' energy: -174.729 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -219.468 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: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2415.959520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.959520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.959520 (E_RNA) where: Base-Base interactions energy: -1671.585 where: short stacking energy: -704.131 Base-Backbone interact. energy: -4.015 local terms energy: -740.358747 where: bonds (distance) C4'-P energy: -129.963 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -104.686 tors. eta vs tors. theta energy: -212.262 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: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2259.791473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.791473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.791473 (E_RNA) where: Base-Base interactions energy: -1567.943 where: short stacking energy: -677.290 Base-Backbone interact. energy: -1.052 local terms energy: -690.796589 where: bonds (distance) C4'-P energy: -126.331 bonds (distance) P-C4' energy: -144.212 flat angles C4'-P-C4' energy: -160.562 flat angles P-C4'-P energy: -91.233 tors. eta vs tors. theta energy: -168.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2000.836418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.836418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.836418 (E_RNA) where: Base-Base interactions energy: -1333.695 where: short stacking energy: -575.330 Base-Backbone interact. energy: -0.568 local terms energy: -666.574159 where: bonds (distance) C4'-P energy: -135.967 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -151.520 flat angles P-C4'-P energy: -88.861 tors. eta vs tors. theta energy: -146.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1693.118663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.118663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.118663 (E_RNA) where: Base-Base interactions energy: -1116.796 where: short stacking energy: -519.578 Base-Backbone interact. energy: -0.693 local terms energy: -575.629726 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -124.159 flat angles C4'-P-C4' energy: -146.050 flat angles P-C4'-P energy: -74.456 tors. eta vs tors. theta energy: -107.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1303.153964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.153964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.153964 (E_RNA) where: Base-Base interactions energy: -767.344 where: short stacking energy: -376.003 Base-Backbone interact. energy: -0.966 local terms energy: -534.844626 where: bonds (distance) C4'-P energy: -124.760 bonds (distance) P-C4' energy: -135.429 flat angles C4'-P-C4' energy: -120.498 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -74.333 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: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1089.447681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.447681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.447681 (E_RNA) where: Base-Base interactions energy: -629.642 where: short stacking energy: -299.374 Base-Backbone interact. energy: 0.287 local terms energy: -460.093243 where: bonds (distance) C4'-P energy: -107.972 bonds (distance) P-C4' energy: -127.451 flat angles C4'-P-C4' energy: -134.340 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -22.227 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: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -992.665128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.665128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.665128 (E_RNA) where: Base-Base interactions energy: -550.006 where: short stacking energy: -269.910 Base-Backbone interact. energy: -0.070 local terms energy: -442.589208 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -133.449 flat angles C4'-P-C4' energy: -106.767 flat angles P-C4'-P energy: -74.703 tors. eta vs tors. theta energy: -10.988 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: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2774.162799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.162799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.162799 (E_RNA) where: Base-Base interactions energy: -1879.644 where: short stacking energy: -872.660 Base-Backbone interact. energy: -1.428 local terms energy: -893.090421 where: bonds (distance) C4'-P energy: -153.022 bonds (distance) P-C4' energy: -158.305 flat angles C4'-P-C4' energy: -181.565 flat angles P-C4'-P energy: -128.763 tors. eta vs tors. theta energy: -271.436 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: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2650.137548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.137548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.137548 (E_RNA) where: Base-Base interactions energy: -1866.447 where: short stacking energy: -736.276 Base-Backbone interact. energy: -8.360 local terms energy: -775.330934 where: bonds (distance) C4'-P energy: -136.867 bonds (distance) P-C4' energy: -147.419 flat angles C4'-P-C4' energy: -176.496 flat angles P-C4'-P energy: -112.102 tors. eta vs tors. theta energy: -202.446 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: 462 Temperature: 1.000000 Total energy: -2531.602253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.602253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.602253 (E_RNA) where: Base-Base interactions energy: -1742.141 where: short stacking energy: -752.411 Base-Backbone interact. energy: -2.768 local terms energy: -786.693101 where: bonds (distance) C4'-P energy: -119.568 bonds (distance) P-C4' energy: -153.899 flat angles C4'-P-C4' energy: -175.098 flat angles P-C4'-P energy: -109.285 tors. eta vs tors. theta energy: -228.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2370.421566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.421566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.421566 (E_RNA) where: Base-Base interactions energy: -1610.241 where: short stacking energy: -739.295 Base-Backbone interact. energy: -2.625 local terms energy: -757.555782 where: bonds (distance) C4'-P energy: -119.935 bonds (distance) P-C4' energy: -141.504 flat angles C4'-P-C4' energy: -169.140 flat angles P-C4'-P energy: -109.662 tors. eta vs tors. theta energy: -217.315 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: 5, replica: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2271.148987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.148987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.148987 (E_RNA) where: Base-Base interactions energy: -1575.832 where: short stacking energy: -685.514 Base-Backbone interact. energy: -3.663 local terms energy: -691.654231 where: bonds (distance) C4'-P energy: -139.760 bonds (distance) P-C4' energy: -125.485 flat angles C4'-P-C4' energy: -148.699 flat angles P-C4'-P energy: -101.000 tors. eta vs tors. theta energy: -176.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1978.731570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.731570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.731570 (E_RNA) where: Base-Base interactions energy: -1328.558 where: short stacking energy: -568.743 Base-Backbone interact. energy: -2.762 local terms energy: -647.411932 where: bonds (distance) C4'-P energy: -130.143 bonds (distance) P-C4' energy: -136.949 flat angles C4'-P-C4' energy: -136.441 flat angles P-C4'-P energy: -105.094 tors. eta vs tors. theta energy: -138.786 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: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1649.196444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.196444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.196444 (E_RNA) where: Base-Base interactions energy: -1090.151 where: short stacking energy: -490.805 Base-Backbone interact. energy: 0.613 local terms energy: -559.657847 where: bonds (distance) C4'-P energy: -150.974 bonds (distance) P-C4' energy: -111.408 flat angles C4'-P-C4' energy: -132.951 flat angles P-C4'-P energy: -75.928 tors. eta vs tors. theta energy: -88.396 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: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1371.709731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.709731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.709731 (E_RNA) where: Base-Base interactions energy: -809.137 where: short stacking energy: -410.320 Base-Backbone interact. energy: -0.681 local terms energy: -561.891679 where: bonds (distance) C4'-P energy: -119.709 bonds (distance) P-C4' energy: -111.348 flat angles C4'-P-C4' energy: -131.846 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -109.427 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: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1125.347948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.347948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.347948 (E_RNA) where: Base-Base interactions energy: -667.589 where: short stacking energy: -311.235 Base-Backbone interact. energy: -0.584 local terms energy: -457.175562 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -113.624 flat angles C4'-P-C4' energy: -135.938 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -41.557 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: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -917.837943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.837943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.837943 (E_RNA) where: Base-Base interactions energy: -510.062 where: short stacking energy: -273.908 Base-Backbone interact. energy: -0.674 local terms energy: -407.102243 where: bonds (distance) C4'-P energy: -108.440 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -118.961 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2774.718898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.718898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.718898 (E_RNA) where: Base-Base interactions energy: -1895.711 where: short stacking energy: -875.672 Base-Backbone interact. energy: -4.007 local terms energy: -875.000904 where: bonds (distance) C4'-P energy: -144.515 bonds (distance) P-C4' energy: -149.224 flat angles C4'-P-C4' energy: -182.740 flat angles P-C4'-P energy: -129.243 tors. eta vs tors. theta energy: -269.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2656.765860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.765860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.765860 (E_RNA) where: Base-Base interactions energy: -1875.225 where: short stacking energy: -727.704 Base-Backbone interact. energy: -0.356 local terms energy: -781.184870 where: bonds (distance) C4'-P energy: -153.288 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -172.670 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -202.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2535.940467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.940467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.940467 (E_RNA) where: Base-Base interactions energy: -1726.866 where: short stacking energy: -743.863 Base-Backbone interact. energy: -1.641 local terms energy: -807.433642 where: bonds (distance) C4'-P energy: -151.457 bonds (distance) P-C4' energy: -156.233 flat angles C4'-P-C4' energy: -164.576 flat angles P-C4'-P energy: -106.650 tors. eta vs tors. theta energy: -228.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2425.276218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.276218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.276218 (E_RNA) where: Base-Base interactions energy: -1651.938 where: short stacking energy: -725.094 Base-Backbone interact. energy: -3.608 local terms energy: -769.730946 where: bonds (distance) C4'-P energy: -133.705 bonds (distance) P-C4' energy: -141.384 flat angles C4'-P-C4' energy: -178.087 flat angles P-C4'-P energy: -102.385 tors. eta vs tors. theta energy: -214.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2338.705361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.705361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.705361 (E_RNA) where: Base-Base interactions energy: -1612.642 where: short stacking energy: -702.964 Base-Backbone interact. energy: -2.325 local terms energy: -723.738803 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -142.096 flat angles C4'-P-C4' energy: -161.978 flat angles P-C4'-P energy: -98.880 tors. eta vs tors. theta energy: -187.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2044.264784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.264784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.264784 (E_RNA) where: Base-Base interactions energy: -1400.340 where: short stacking energy: -612.211 Base-Backbone interact. energy: 1.148 local terms energy: -645.072462 where: bonds (distance) C4'-P energy: -118.030 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -158.830 flat angles P-C4'-P energy: -67.399 tors. eta vs tors. theta energy: -151.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1632.587550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.587550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.587550 (E_RNA) where: Base-Base interactions energy: -1074.741 where: short stacking energy: -480.861 Base-Backbone interact. energy: -1.758 local terms energy: -556.088027 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -125.415 flat angles C4'-P-C4' energy: -134.539 flat angles P-C4'-P energy: -69.236 tors. eta vs tors. theta energy: -98.348 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: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1383.464089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.464089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.464089 (E_RNA) where: Base-Base interactions energy: -841.092 where: short stacking energy: -409.823 Base-Backbone interact. energy: -3.201 local terms energy: -539.170807 where: bonds (distance) C4'-P energy: -125.423 bonds (distance) P-C4' energy: -130.482 flat angles C4'-P-C4' energy: -135.987 flat angles P-C4'-P energy: -70.971 tors. eta vs tors. theta energy: -76.308 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1149.798876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.798876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.798876 (E_RNA) where: Base-Base interactions energy: -673.777 where: short stacking energy: -329.066 Base-Backbone interact. energy: 1.708 local terms energy: -477.729146 where: bonds (distance) C4'-P energy: -120.146 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -127.892 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -36.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -804.997780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.997780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.997780 (E_RNA) where: Base-Base interactions energy: -429.954 where: short stacking energy: -220.637 Base-Backbone interact. energy: 2.866 local terms energy: -377.910281 where: bonds (distance) C4'-P energy: -114.769 bonds (distance) P-C4' energy: -129.033 flat angles C4'-P-C4' energy: -117.684 flat angles P-C4'-P energy: -21.967 tors. eta vs tors. theta energy: 5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2790.252319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.252319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.252319 (E_RNA) where: Base-Base interactions energy: -1904.697 where: short stacking energy: -867.081 Base-Backbone interact. energy: -4.855 local terms energy: -880.700642 where: bonds (distance) C4'-P energy: -157.917 bonds (distance) P-C4' energy: -153.278 flat angles C4'-P-C4' energy: -176.622 flat angles P-C4'-P energy: -124.253 tors. eta vs tors. theta energy: -268.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2654.347404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.347404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.347404 (E_RNA) where: Base-Base interactions energy: -1862.292 where: short stacking energy: -726.686 Base-Backbone interact. energy: -1.604 local terms energy: -790.451471 where: bonds (distance) C4'-P energy: -139.441 bonds (distance) P-C4' energy: -169.944 flat angles C4'-P-C4' energy: -161.653 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -205.614 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: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2532.470924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.470924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.470924 (E_RNA) where: Base-Base interactions energy: -1746.675 where: short stacking energy: -778.256 Base-Backbone interact. energy: -5.134 local terms energy: -780.662633 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -148.737 flat angles C4'-P-C4' energy: -171.001 flat angles P-C4'-P energy: -116.798 tors. eta vs tors. theta energy: -204.465 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2373.990984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.990984 (E_RNA) where: Base-Base interactions energy: -1602.015 where: short stacking energy: -691.114 Base-Backbone interact. energy: -0.526 local terms energy: -771.449639 where: bonds (distance) C4'-P energy: -136.601 bonds (distance) P-C4' energy: -150.620 flat angles C4'-P-C4' energy: -161.934 flat angles P-C4'-P energy: -103.611 tors. eta vs tors. theta energy: -218.685 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: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2321.298532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.298532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.298532 (E_RNA) where: Base-Base interactions energy: -1595.848 where: short stacking energy: -703.447 Base-Backbone interact. energy: -1.368 local terms energy: -724.082671 where: bonds (distance) C4'-P energy: -125.561 bonds (distance) P-C4' energy: -139.775 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -210.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2003.418463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.418463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.418463 (E_RNA) where: Base-Base interactions energy: -1378.813 where: short stacking energy: -590.770 Base-Backbone interact. energy: -2.178 local terms energy: -622.427330 where: bonds (distance) C4'-P energy: -131.160 bonds (distance) P-C4' energy: -133.848 flat angles C4'-P-C4' energy: -137.024 flat angles P-C4'-P energy: -91.117 tors. eta vs tors. theta energy: -129.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1624.388937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.388937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.388937 (E_RNA) where: Base-Base interactions energy: -1036.851 where: short stacking energy: -475.134 Base-Backbone interact. energy: 0.840 local terms energy: -588.377991 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -137.342 flat angles P-C4'-P energy: -97.979 tors. eta vs tors. theta energy: -106.621 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: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1389.874317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.874317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.874317 (E_RNA) where: Base-Base interactions energy: -865.370 where: short stacking energy: -383.457 Base-Backbone interact. energy: -1.111 local terms energy: -523.393369 where: bonds (distance) C4'-P energy: -134.384 bonds (distance) P-C4' energy: -115.520 flat angles C4'-P-C4' energy: -128.793 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -63.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1101.541946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.541946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.541946 (E_RNA) where: Base-Base interactions energy: -615.028 where: short stacking energy: -316.610 Base-Backbone interact. energy: -1.733 local terms energy: -484.781265 where: bonds (distance) C4'-P energy: -113.218 bonds (distance) P-C4' energy: -125.826 flat angles C4'-P-C4' energy: -111.003 flat angles P-C4'-P energy: -76.260 tors. eta vs tors. theta energy: -58.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -787.599349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.599349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.599349 (E_RNA) where: Base-Base interactions energy: -381.357 where: short stacking energy: -241.263 Base-Backbone interact. energy: 8.359 local terms energy: -414.601902 where: bonds (distance) C4'-P energy: -118.590 bonds (distance) P-C4' energy: -133.678 flat angles C4'-P-C4' energy: -114.008 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2757.114633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.114633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.114633 (E_RNA) where: Base-Base interactions energy: -1890.927 where: short stacking energy: -863.055 Base-Backbone interact. energy: -2.341 local terms energy: -863.846709 where: bonds (distance) C4'-P energy: -148.383 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -180.601 flat angles P-C4'-P energy: -129.015 tors. eta vs tors. theta energy: -259.364 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: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2666.493285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.493285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.493285 (E_RNA) where: Base-Base interactions energy: -1883.827 where: short stacking energy: -742.127 Base-Backbone interact. energy: -1.538 local terms energy: -781.128885 where: bonds (distance) C4'-P energy: -135.169 bonds (distance) P-C4' energy: -147.497 flat angles C4'-P-C4' energy: -174.248 flat angles P-C4'-P energy: -112.125 tors. eta vs tors. theta energy: -212.090 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2493.699167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.699167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.699167 (E_RNA) where: Base-Base interactions energy: -1729.705 where: short stacking energy: -724.183 Base-Backbone interact. energy: -1.344 local terms energy: -762.649922 where: bonds (distance) C4'-P energy: -125.758 bonds (distance) P-C4' energy: -146.072 flat angles C4'-P-C4' energy: -171.434 flat angles P-C4'-P energy: -113.889 tors. eta vs tors. theta energy: -205.497 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: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2375.217582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.217582 (E_RNA) where: Base-Base interactions energy: -1635.794 where: short stacking energy: -687.861 Base-Backbone interact. energy: -4.222 local terms energy: -735.201221 where: bonds (distance) C4'-P energy: -127.575 bonds (distance) P-C4' energy: -146.418 flat angles C4'-P-C4' energy: -166.614 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -196.181 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: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2271.023103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.023103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.023103 (E_RNA) where: Base-Base interactions energy: -1532.666 where: short stacking energy: -702.846 Base-Backbone interact. energy: 0.668 local terms energy: -739.025670 where: bonds (distance) C4'-P energy: -128.862 bonds (distance) P-C4' energy: -133.222 flat angles C4'-P-C4' energy: -151.737 flat angles P-C4'-P energy: -120.039 tors. eta vs tors. theta energy: -205.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1994.513137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.513137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.513137 (E_RNA) where: Base-Base interactions energy: -1362.535 where: short stacking energy: -607.448 Base-Backbone interact. energy: -2.820 local terms energy: -629.157939 where: bonds (distance) C4'-P energy: -98.166 bonds (distance) P-C4' energy: -138.639 flat angles C4'-P-C4' energy: -148.504 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -162.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1671.856369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.856369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.856369 (E_RNA) where: Base-Base interactions energy: -1096.399 where: short stacking energy: -465.664 Base-Backbone interact. energy: -3.220 local terms energy: -572.237967 where: bonds (distance) C4'-P energy: -119.217 bonds (distance) P-C4' energy: -126.213 flat angles C4'-P-C4' energy: -131.881 flat angles P-C4'-P energy: -100.083 tors. eta vs tors. theta energy: -94.845 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: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1495.230418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.230418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.230418 (E_RNA) where: Base-Base interactions energy: -943.596 where: short stacking energy: -425.343 Base-Backbone interact. energy: -1.559 local terms energy: -550.075782 where: bonds (distance) C4'-P energy: -129.916 bonds (distance) P-C4' energy: -144.973 flat angles C4'-P-C4' energy: -126.248 flat angles P-C4'-P energy: -72.664 tors. eta vs tors. theta energy: -76.275 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: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1150.201683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.201683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.201683 (E_RNA) where: Base-Base interactions energy: -683.127 where: short stacking energy: -322.167 Base-Backbone interact. energy: -0.927 local terms energy: -466.148014 where: bonds (distance) C4'-P energy: -118.687 bonds (distance) P-C4' energy: -135.061 flat angles C4'-P-C4' energy: -126.750 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -31.156 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: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -787.963475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.963475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.963475 (E_RNA) where: Base-Base interactions energy: -413.492 where: short stacking energy: -219.773 Base-Backbone interact. energy: 1.868 local terms energy: -376.340216 where: bonds (distance) C4'-P energy: -122.392 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -105.163 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: 13.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2763.288298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.288298 (E_RNA) where: Base-Base interactions energy: -1930.072 where: short stacking energy: -765.458 Base-Backbone interact. energy: 0.971 local terms energy: -834.187925 where: bonds (distance) C4'-P energy: -163.113 bonds (distance) P-C4' energy: -149.907 flat angles C4'-P-C4' energy: -179.236 flat angles P-C4'-P energy: -124.226 tors. eta vs tors. theta energy: -217.705 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: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2674.095502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.095502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.095502 (E_RNA) where: Base-Base interactions energy: -1811.995 where: short stacking energy: -820.142 Base-Backbone interact. energy: -1.267 local terms energy: -860.833208 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -139.038 flat angles C4'-P-C4' energy: -178.880 flat angles P-C4'-P energy: -136.080 tors. eta vs tors. theta energy: -260.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2478.039039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.039039 (E_RNA) where: Base-Base interactions energy: -1677.665 where: short stacking energy: -735.327 Base-Backbone interact. energy: -4.198 local terms energy: -796.176143 where: bonds (distance) C4'-P energy: -150.734 bonds (distance) P-C4' energy: -148.468 flat angles C4'-P-C4' energy: -173.665 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -212.905 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: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2413.880167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.880167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.880167 (E_RNA) where: Base-Base interactions energy: -1662.545 where: short stacking energy: -693.358 Base-Backbone interact. energy: -5.114 local terms energy: -746.220589 where: bonds (distance) C4'-P energy: -142.230 bonds (distance) P-C4' energy: -142.212 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -113.523 tors. eta vs tors. theta energy: -191.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2283.554165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.554165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.554165 (E_RNA) where: Base-Base interactions energy: -1550.750 where: short stacking energy: -682.290 Base-Backbone interact. energy: -3.730 local terms energy: -729.074755 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -132.721 flat angles C4'-P-C4' energy: -161.174 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -211.128 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: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1996.757965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.757965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.757965 (E_RNA) where: Base-Base interactions energy: -1337.780 where: short stacking energy: -574.771 Base-Backbone interact. energy: -3.848 local terms energy: -655.130249 where: bonds (distance) C4'-P energy: -143.429 bonds (distance) P-C4' energy: -147.215 flat angles C4'-P-C4' energy: -142.402 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -138.489 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: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1724.608633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.608633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.608633 (E_RNA) where: Base-Base interactions energy: -1149.870 where: short stacking energy: -510.858 Base-Backbone interact. energy: 0.226 local terms energy: -574.964849 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -105.918 flat angles C4'-P-C4' energy: -153.702 flat angles P-C4'-P energy: -89.148 tors. eta vs tors. theta energy: -97.009 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: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1367.349241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.349241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.349241 (E_RNA) where: Base-Base interactions energy: -834.775 where: short stacking energy: -388.186 Base-Backbone interact. energy: 5.026 local terms energy: -537.600334 where: bonds (distance) C4'-P energy: -109.795 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -144.153 flat angles P-C4'-P energy: -77.747 tors. eta vs tors. theta energy: -72.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1143.529000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.529000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.529000 (E_RNA) where: Base-Base interactions energy: -703.180 where: short stacking energy: -325.881 Base-Backbone interact. energy: -0.240 local terms energy: -440.109619 where: bonds (distance) C4'-P energy: -114.312 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -43.113 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: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -883.728818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.728818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.728818 (E_RNA) where: Base-Base interactions energy: -449.814 where: short stacking energy: -253.358 Base-Backbone interact. energy: 2.825 local terms energy: -436.739436 where: bonds (distance) C4'-P energy: -116.435 bonds (distance) P-C4' energy: -113.447 flat angles C4'-P-C4' energy: -109.918 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -22.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2760.838021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.838021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.838021 (E_RNA) where: Base-Base interactions energy: -1950.460 where: short stacking energy: -771.172 Base-Backbone interact. energy: 0.407 local terms energy: -810.784761 where: bonds (distance) C4'-P energy: -147.843 bonds (distance) P-C4' energy: -142.869 flat angles C4'-P-C4' energy: -177.451 flat angles P-C4'-P energy: -119.284 tors. eta vs tors. theta energy: -223.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2653.054890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.054890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.054890 (E_RNA) where: Base-Base interactions energy: -1820.851 where: short stacking energy: -806.530 Base-Backbone interact. energy: -1.162 local terms energy: -831.041473 where: bonds (distance) C4'-P energy: -133.136 bonds (distance) P-C4' energy: -152.185 flat angles C4'-P-C4' energy: -171.703 flat angles P-C4'-P energy: -126.587 tors. eta vs tors. theta energy: -247.430 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: 467 Temperature: 1.000000 Total energy: -2494.067141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.067141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.067141 (E_RNA) where: Base-Base interactions energy: -1727.706 where: short stacking energy: -736.937 Base-Backbone interact. energy: -1.544 local terms energy: -764.816905 where: bonds (distance) C4'-P energy: -159.804 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -206.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2410.785727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.785727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.785727 (E_RNA) where: Base-Base interactions energy: -1694.199 where: short stacking energy: -671.072 Base-Backbone interact. energy: 0.336 local terms energy: -716.923619 where: bonds (distance) C4'-P energy: -121.844 bonds (distance) P-C4' energy: -125.796 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -108.158 tors. eta vs tors. theta energy: -191.689 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: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2216.504944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.504944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.504944 (E_RNA) where: Base-Base interactions energy: -1490.620 where: short stacking energy: -656.758 Base-Backbone interact. energy: -1.692 local terms energy: -724.192749 where: bonds (distance) C4'-P energy: -141.481 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -98.913 tors. eta vs tors. theta energy: -187.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1954.868302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.868302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.868302 (E_RNA) where: Base-Base interactions energy: -1318.540 where: short stacking energy: -562.217 Base-Backbone interact. energy: -1.598 local terms energy: -634.730236 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -141.659 flat angles C4'-P-C4' energy: -144.773 flat angles P-C4'-P energy: -85.788 tors. eta vs tors. theta energy: -137.050 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: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1639.404318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.404318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.404318 (E_RNA) where: Base-Base interactions energy: -1073.959 where: short stacking energy: -453.797 Base-Backbone interact. energy: -0.833 local terms energy: -564.612515 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -126.147 flat angles C4'-P-C4' energy: -129.293 flat angles P-C4'-P energy: -78.548 tors. eta vs tors. theta energy: -106.292 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: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1391.015673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.015673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.015673 (E_RNA) where: Base-Base interactions energy: -858.396 where: short stacking energy: -420.031 Base-Backbone interact. energy: 1.751 local terms energy: -534.370809 where: bonds (distance) C4'-P energy: -133.348 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -119.608 flat angles P-C4'-P energy: -74.403 tors. eta vs tors. theta energy: -76.703 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: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1146.160572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.160572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.160572 (E_RNA) where: Base-Base interactions energy: -663.444 where: short stacking energy: -300.011 Base-Backbone interact. energy: -1.391 local terms energy: -481.325060 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -137.705 flat angles C4'-P-C4' energy: -126.147 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -29.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -889.404156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.404156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.404156 (E_RNA) where: Base-Base interactions energy: -466.529 where: short stacking energy: -238.164 Base-Backbone interact. energy: 6.169 local terms energy: -429.044578 where: bonds (distance) C4'-P energy: -120.077 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -91.164 tors. eta vs tors. theta energy: 18.513 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: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2767.293239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.293239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.293239 (E_RNA) where: Base-Base interactions energy: -1921.015 where: short stacking energy: -755.610 Base-Backbone interact. energy: -1.641 local terms energy: -844.637927 where: bonds (distance) C4'-P energy: -156.745 bonds (distance) P-C4' energy: -164.629 flat angles C4'-P-C4' energy: -180.272 flat angles P-C4'-P energy: -117.033 tors. eta vs tors. theta energy: -225.960 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: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2694.979897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.979897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.979897 (E_RNA) where: Base-Base interactions energy: -1838.735 where: short stacking energy: -823.982 Base-Backbone interact. energy: -3.563 local terms energy: -852.682317 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -154.410 flat angles C4'-P-C4' energy: -176.992 flat angles P-C4'-P energy: -124.168 tors. eta vs tors. theta energy: -255.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2558.516759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.516759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.516759 (E_RNA) where: Base-Base interactions energy: -1779.972 where: short stacking energy: -767.206 Base-Backbone interact. energy: 0.012 local terms energy: -778.556712 where: bonds (distance) C4'-P energy: -137.806 bonds (distance) P-C4' energy: -151.649 flat angles C4'-P-C4' energy: -163.889 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -219.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2376.710072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.710072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.710072 (E_RNA) where: Base-Base interactions energy: -1634.371 where: short stacking energy: -697.894 Base-Backbone interact. energy: -2.140 local terms energy: -740.198988 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -140.781 flat angles C4'-P-C4' energy: -163.287 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -199.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2241.235254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.235254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.235254 (E_RNA) where: Base-Base interactions energy: -1533.956 where: short stacking energy: -679.282 Base-Backbone interact. energy: -0.553 local terms energy: -706.725703 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -127.025 flat angles C4'-P-C4' energy: -153.985 flat angles P-C4'-P energy: -117.293 tors. eta vs tors. theta energy: -188.807 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: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1963.850243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.850243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.850243 (E_RNA) where: Base-Base interactions energy: -1327.693 where: short stacking energy: -598.624 Base-Backbone interact. energy: 3.396 local terms energy: -639.553299 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -145.439 flat angles P-C4'-P energy: -89.770 tors. eta vs tors. theta energy: -148.624 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: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1615.180432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.180432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.180432 (E_RNA) where: Base-Base interactions energy: -1035.319 where: short stacking energy: -451.891 Base-Backbone interact. energy: 1.764 local terms energy: -581.626177 where: bonds (distance) C4'-P energy: -146.061 bonds (distance) P-C4' energy: -133.696 flat angles C4'-P-C4' energy: -140.746 flat angles P-C4'-P energy: -61.670 tors. eta vs tors. theta energy: -99.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1430.443385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.443385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.443385 (E_RNA) where: Base-Base interactions energy: -896.484 where: short stacking energy: -414.550 Base-Backbone interact. energy: 2.110 local terms energy: -536.069443 where: bonds (distance) C4'-P energy: -118.112 bonds (distance) P-C4' energy: -123.564 flat angles C4'-P-C4' energy: -142.654 flat angles P-C4'-P energy: -86.635 tors. eta vs tors. theta energy: -65.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1089.329205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.329205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.329205 (E_RNA) where: Base-Base interactions energy: -574.052 where: short stacking energy: -306.358 Base-Backbone interact. energy: -2.028 local terms energy: -513.249715 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -123.816 flat angles C4'-P-C4' energy: -130.077 flat angles P-C4'-P energy: -97.064 tors. eta vs tors. theta energy: -27.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -862.480922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.480922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.480922 (E_RNA) where: Base-Base interactions energy: -448.375 where: short stacking energy: -257.970 Base-Backbone interact. energy: 2.709 local terms energy: -416.814823 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -110.605 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2758.828871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.828871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.828871 (E_RNA) where: Base-Base interactions energy: -1952.736 where: short stacking energy: -764.954 Base-Backbone interact. energy: -2.374 local terms energy: -803.719339 where: bonds (distance) C4'-P energy: -146.228 bonds (distance) P-C4' energy: -153.483 flat angles C4'-P-C4' energy: -180.437 flat angles P-C4'-P energy: -110.570 tors. eta vs tors. theta energy: -213.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2711.222639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.222639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.222639 (E_RNA) where: Base-Base interactions energy: -1865.563 where: short stacking energy: -848.894 Base-Backbone interact. energy: -0.126 local terms energy: -845.534152 where: bonds (distance) C4'-P energy: -135.199 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -177.991 flat angles P-C4'-P energy: -115.000 tors. eta vs tors. theta energy: -260.616 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: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2590.992036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.992036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.992036 (E_RNA) where: Base-Base interactions energy: -1823.877 where: short stacking energy: -764.630 Base-Backbone interact. energy: -0.537 local terms energy: -766.578015 where: bonds (distance) C4'-P energy: -131.161 bonds (distance) P-C4' energy: -127.558 flat angles C4'-P-C4' energy: -181.442 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -216.207 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: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2375.935671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.935671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.935671 (E_RNA) where: Base-Base interactions energy: -1653.921 where: short stacking energy: -682.839 Base-Backbone interact. energy: -1.354 local terms energy: -720.661012 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -144.453 flat angles C4'-P-C4' energy: -151.209 flat angles P-C4'-P energy: -111.234 tors. eta vs tors. theta energy: -182.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2328.657637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.657637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.657637 (E_RNA) where: Base-Base interactions energy: -1592.026 where: short stacking energy: -688.876 Base-Backbone interact. energy: -0.826 local terms energy: -735.805908 where: bonds (distance) C4'-P energy: -147.253 bonds (distance) P-C4' energy: -143.026 flat angles C4'-P-C4' energy: -143.964 flat angles P-C4'-P energy: -96.109 tors. eta vs tors. theta energy: -205.454 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: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1905.679938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.679938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.679938 (E_RNA) where: Base-Base interactions energy: -1308.029 where: short stacking energy: -558.981 Base-Backbone interact. energy: -1.640 local terms energy: -596.010435 where: bonds (distance) C4'-P energy: -113.012 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -158.000 flat angles P-C4'-P energy: -84.319 tors. eta vs tors. theta energy: -118.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1692.287772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.287772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.287772 (E_RNA) where: Base-Base interactions energy: -1108.055 where: short stacking energy: -478.962 Base-Backbone interact. energy: -4.458 local terms energy: -579.774652 where: bonds (distance) C4'-P energy: -122.434 bonds (distance) P-C4' energy: -130.159 flat angles C4'-P-C4' energy: -139.913 flat angles P-C4'-P energy: -81.516 tors. eta vs tors. theta energy: -105.752 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: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1474.365894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.365894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.365894 (E_RNA) where: Base-Base interactions energy: -929.442 where: short stacking energy: -433.176 Base-Backbone interact. energy: -1.355 local terms energy: -543.569219 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -145.358 flat angles P-C4'-P energy: -71.184 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: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1139.312646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.312646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.312646 (E_RNA) where: Base-Base interactions energy: -659.007 where: short stacking energy: -313.892 Base-Backbone interact. energy: 1.918 local terms energy: -482.224199 where: bonds (distance) C4'-P energy: -122.866 bonds (distance) P-C4' energy: -111.679 flat angles C4'-P-C4' energy: -119.451 flat angles P-C4'-P energy: -76.273 tors. eta vs tors. theta energy: -51.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -858.050291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.050291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.050291 (E_RNA) where: Base-Base interactions energy: -460.354 where: short stacking energy: -231.500 Base-Backbone interact. energy: -3.391 local terms energy: -394.305168 where: bonds (distance) C4'-P energy: -100.543 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -115.704 flat angles P-C4'-P energy: -88.378 tors. eta vs tors. theta energy: 29.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2758.749155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.749155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.749155 (E_RNA) where: Base-Base interactions energy: -1933.646 where: short stacking energy: -781.566 Base-Backbone interact. energy: -5.850 local terms energy: -819.253022 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -175.371 flat angles P-C4'-P energy: -123.538 tors. eta vs tors. theta energy: -214.757 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: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2691.030697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.030697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.030697 (E_RNA) where: Base-Base interactions energy: -1831.808 where: short stacking energy: -851.196 Base-Backbone interact. energy: 0.146 local terms energy: -859.369116 where: bonds (distance) C4'-P energy: -140.289 bonds (distance) P-C4' energy: -155.538 flat angles C4'-P-C4' energy: -179.847 flat angles P-C4'-P energy: -123.554 tors. eta vs tors. theta energy: -260.140 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: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2526.191986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.191986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.191986 (E_RNA) where: Base-Base interactions energy: -1761.622 where: short stacking energy: -769.498 Base-Backbone interact. energy: 0.161 local terms energy: -764.730804 where: bonds (distance) C4'-P energy: -136.113 bonds (distance) P-C4' energy: -148.424 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -221.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2398.436208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.436208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.436208 (E_RNA) where: Base-Base interactions energy: -1635.904 where: short stacking energy: -695.128 Base-Backbone interact. energy: 0.516 local terms energy: -763.049052 where: bonds (distance) C4'-P energy: -140.382 bonds (distance) P-C4' energy: -144.054 flat angles C4'-P-C4' energy: -172.379 flat angles P-C4'-P energy: -108.832 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: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2253.218571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.218571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.218571 (E_RNA) where: Base-Base interactions energy: -1538.131 where: short stacking energy: -691.803 Base-Backbone interact. energy: 0.207 local terms energy: -715.294744 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -136.712 flat angles C4'-P-C4' energy: -147.332 flat angles P-C4'-P energy: -104.874 tors. eta vs tors. theta energy: -189.559 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: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1924.034207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.034207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.034207 (E_RNA) where: Base-Base interactions energy: -1279.951 where: short stacking energy: -562.312 Base-Backbone interact. energy: -0.017 local terms energy: -644.066655 where: bonds (distance) C4'-P energy: -118.232 bonds (distance) P-C4' energy: -128.754 flat angles C4'-P-C4' energy: -163.383 flat angles P-C4'-P energy: -101.203 tors. eta vs tors. theta energy: -132.495 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: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1710.505103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.505103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.505103 (E_RNA) where: Base-Base interactions energy: -1098.175 where: short stacking energy: -492.709 Base-Backbone interact. energy: -4.527 local terms energy: -607.803393 where: bonds (distance) C4'-P energy: -125.165 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -105.380 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: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1357.799714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.799714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.799714 (E_RNA) where: Base-Base interactions energy: -841.185 where: short stacking energy: -408.212 Base-Backbone interact. energy: 5.684 local terms energy: -522.299148 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -121.870 flat angles C4'-P-C4' energy: -121.628 flat angles P-C4'-P energy: -86.124 tors. eta vs tors. theta energy: -66.424 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: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1096.074903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.074903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.074903 (E_RNA) where: Base-Base interactions energy: -601.653 where: short stacking energy: -298.967 Base-Backbone interact. energy: 6.060 local terms energy: -500.481736 where: bonds (distance) C4'-P energy: -139.766 bonds (distance) P-C4' energy: -121.809 flat angles C4'-P-C4' energy: -114.740 flat angles P-C4'-P energy: -89.388 tors. eta vs tors. theta energy: -34.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -837.857578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.857578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.857578 (E_RNA) where: Base-Base interactions energy: -408.324 where: short stacking energy: -234.100 Base-Backbone interact. energy: -3.769 local terms energy: -425.765186 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -127.563 flat angles C4'-P-C4' energy: -103.178 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: 0.264 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: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2734.384659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.384659 (E_RNA) where: Base-Base interactions energy: -1919.560 where: short stacking energy: -751.447 Base-Backbone interact. energy: -2.510 local terms energy: -812.314117 where: bonds (distance) C4'-P energy: -146.612 bonds (distance) P-C4' energy: -164.449 flat angles C4'-P-C4' energy: -177.987 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -218.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2681.177475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.177475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.177475 (E_RNA) where: Base-Base interactions energy: -1838.651 where: short stacking energy: -818.742 Base-Backbone interact. energy: -4.180 local terms energy: -838.346522 where: bonds (distance) C4'-P energy: -145.635 bonds (distance) P-C4' energy: -155.728 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -114.476 tors. eta vs tors. theta energy: -262.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2558.008307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.008307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.008307 (E_RNA) where: Base-Base interactions energy: -1758.264 where: short stacking energy: -766.279 Base-Backbone interact. energy: -3.427 local terms energy: -796.317217 where: bonds (distance) C4'-P energy: -144.949 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -161.289 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -227.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2417.579743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.579743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.579743 (E_RNA) where: Base-Base interactions energy: -1656.037 where: short stacking energy: -693.205 Base-Backbone interact. energy: 2.330 local terms energy: -763.873022 where: bonds (distance) C4'-P energy: -148.647 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -170.626 flat angles P-C4'-P energy: -104.417 tors. eta vs tors. theta energy: -189.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2278.431218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.431218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.431218 (E_RNA) where: Base-Base interactions energy: -1553.983 where: short stacking energy: -669.350 Base-Backbone interact. energy: -2.780 local terms energy: -721.668109 where: bonds (distance) C4'-P energy: -125.801 bonds (distance) P-C4' energy: -142.228 flat angles C4'-P-C4' energy: -154.290 flat angles P-C4'-P energy: -105.733 tors. eta vs tors. theta energy: -193.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1921.643557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.643557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.643557 (E_RNA) where: Base-Base interactions energy: -1274.137 where: short stacking energy: -560.599 Base-Backbone interact. energy: 0.543 local terms energy: -648.049574 where: bonds (distance) C4'-P energy: -116.966 bonds (distance) P-C4' energy: -145.372 flat angles C4'-P-C4' energy: -158.775 flat angles P-C4'-P energy: -95.213 tors. eta vs tors. theta energy: -131.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1689.517803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.517803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.517803 (E_RNA) where: Base-Base interactions energy: -1062.699 where: short stacking energy: -481.405 Base-Backbone interact. energy: -5.775 local terms energy: -621.044018 where: bonds (distance) C4'-P energy: -127.895 bonds (distance) P-C4' energy: -134.125 flat angles C4'-P-C4' energy: -137.019 flat angles P-C4'-P energy: -108.389 tors. eta vs tors. theta energy: -113.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1334.119021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.119021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.119021 (E_RNA) where: Base-Base interactions energy: -817.416 where: short stacking energy: -393.595 Base-Backbone interact. energy: -2.599 local terms energy: -514.104237 where: bonds (distance) C4'-P energy: -121.536 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -130.077 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -63.257 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: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1130.734932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.734932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.734932 (E_RNA) where: Base-Base interactions energy: -655.747 where: short stacking energy: -312.781 Base-Backbone interact. energy: 1.913 local terms energy: -476.900589 where: bonds (distance) C4'-P energy: -119.139 bonds (distance) P-C4' energy: -148.136 flat angles C4'-P-C4' energy: -119.992 flat angles P-C4'-P energy: -62.855 tors. eta vs tors. theta energy: -26.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -773.563613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.563613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.563613 (E_RNA) where: Base-Base interactions energy: -368.115 where: short stacking energy: -236.421 Base-Backbone interact. energy: 1.339 local terms energy: -406.786705 where: bonds (distance) C4'-P energy: -123.301 bonds (distance) P-C4' energy: -106.005 flat angles C4'-P-C4' energy: -99.975 flat angles P-C4'-P energy: -67.295 tors. eta vs tors. theta energy: -10.210 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: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2742.692799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.692799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.692799 (E_RNA) where: Base-Base interactions energy: -1920.699 where: short stacking energy: -783.421 Base-Backbone interact. energy: -3.433 local terms energy: -818.561012 where: bonds (distance) C4'-P energy: -150.254 bonds (distance) P-C4' energy: -152.825 flat angles C4'-P-C4' energy: -176.216 flat angles P-C4'-P energy: -115.314 tors. eta vs tors. theta energy: -223.952 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: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2677.558803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.558803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.558803 (E_RNA) where: Base-Base interactions energy: -1811.573 where: short stacking energy: -835.331 Base-Backbone interact. energy: -0.001 local terms energy: -865.985003 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -150.398 flat angles C4'-P-C4' energy: -177.416 flat angles P-C4'-P energy: -127.408 tors. eta vs tors. theta energy: -265.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2558.778821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.778821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.778821 (E_RNA) where: Base-Base interactions energy: -1776.285 where: short stacking energy: -760.654 Base-Backbone interact. energy: -0.264 local terms energy: -782.230415 where: bonds (distance) C4'-P energy: -145.707 bonds (distance) P-C4' energy: -154.760 flat angles C4'-P-C4' energy: -160.788 flat angles P-C4'-P energy: -101.897 tors. eta vs tors. theta energy: -219.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2430.546584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.546584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.546584 (E_RNA) where: Base-Base interactions energy: -1667.747 where: short stacking energy: -725.443 Base-Backbone interact. energy: -1.266 local terms energy: -761.533268 where: bonds (distance) C4'-P energy: -135.619 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -169.146 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -206.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2295.393579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.393579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.393579 (E_RNA) where: Base-Base interactions energy: -1576.845 where: short stacking energy: -691.226 Base-Backbone interact. energy: -2.878 local terms energy: -715.671064 where: bonds (distance) C4'-P energy: -139.690 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -161.610 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -192.339 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: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1973.719633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.719633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.719633 (E_RNA) where: Base-Base interactions energy: -1290.687 where: short stacking energy: -567.922 Base-Backbone interact. energy: -1.146 local terms energy: -681.886365 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -156.270 flat angles P-C4'-P energy: -94.309 tors. eta vs tors. theta energy: -153.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1762.421521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.421521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.421521 (E_RNA) where: Base-Base interactions energy: -1144.834 where: short stacking energy: -482.922 Base-Backbone interact. energy: 4.068 local terms energy: -621.655677 where: bonds (distance) C4'-P energy: -127.044 bonds (distance) P-C4' energy: -148.369 flat angles C4'-P-C4' energy: -140.558 flat angles P-C4'-P energy: -107.468 tors. eta vs tors. theta energy: -98.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1356.780534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.780534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.780534 (E_RNA) where: Base-Base interactions energy: -799.690 where: short stacking energy: -407.385 Base-Backbone interact. energy: -3.828 local terms energy: -553.262641 where: bonds (distance) C4'-P energy: -140.383 bonds (distance) P-C4' energy: -107.157 flat angles C4'-P-C4' energy: -124.765 flat angles P-C4'-P energy: -97.150 tors. eta vs tors. theta energy: -83.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1145.430972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.430972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.430972 (E_RNA) where: Base-Base interactions energy: -700.497 where: short stacking energy: -342.673 Base-Backbone interact. energy: 4.272 local terms energy: -449.206246 where: bonds (distance) C4'-P energy: -110.005 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -100.186 flat angles P-C4'-P energy: -90.682 tors. eta vs tors. theta energy: -23.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -722.622702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.622702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.622702 (E_RNA) where: Base-Base interactions energy: -344.533 where: short stacking energy: -183.426 Base-Backbone interact. energy: 2.149 local terms energy: -380.238791 where: bonds (distance) C4'-P energy: -98.014 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -103.526 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: 22.497 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: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2716.354527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.354527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.354527 (E_RNA) where: Base-Base interactions energy: -1853.760 where: short stacking energy: -752.419 Base-Backbone interact. energy: -3.261 local terms energy: -859.333886 where: bonds (distance) C4'-P energy: -159.084 bonds (distance) P-C4' energy: -162.198 flat angles C4'-P-C4' energy: -191.259 flat angles P-C4'-P energy: -129.050 tors. eta vs tors. theta energy: -217.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2679.273966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.273966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.273966 (E_RNA) where: Base-Base interactions energy: -1809.888 where: short stacking energy: -843.662 Base-Backbone interact. energy: -0.640 local terms energy: -868.745929 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -143.815 flat angles C4'-P-C4' energy: -180.462 flat angles P-C4'-P energy: -126.093 tors. eta vs tors. theta energy: -270.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2564.687087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.687087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.687087 (E_RNA) where: Base-Base interactions energy: -1767.660 where: short stacking energy: -788.729 Base-Backbone interact. energy: 0.100 local terms energy: -797.127342 where: bonds (distance) C4'-P energy: -138.093 bonds (distance) P-C4' energy: -147.933 flat angles C4'-P-C4' energy: -158.336 flat angles P-C4'-P energy: -113.072 tors. eta vs tors. theta energy: -239.694 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: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2394.968202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.968202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.968202 (E_RNA) where: Base-Base interactions energy: -1660.637 where: short stacking energy: -690.329 Base-Backbone interact. energy: -3.395 local terms energy: -730.936518 where: bonds (distance) C4'-P energy: -114.675 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -167.965 flat angles P-C4'-P energy: -114.729 tors. eta vs tors. theta energy: -191.463 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: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2267.701038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.701038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.701038 (E_RNA) where: Base-Base interactions energy: -1547.451 where: short stacking energy: -665.296 Base-Backbone interact. energy: -2.943 local terms energy: -717.307043 where: bonds (distance) C4'-P energy: -125.312 bonds (distance) P-C4' energy: -127.422 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -104.271 tors. eta vs tors. theta energy: -203.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1867.847204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.847204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.847204 (E_RNA) where: Base-Base interactions energy: -1261.749 where: short stacking energy: -518.825 Base-Backbone interact. energy: -0.725 local terms energy: -605.372648 where: bonds (distance) C4'-P energy: -107.950 bonds (distance) P-C4' energy: -136.669 flat angles C4'-P-C4' energy: -143.655 flat angles P-C4'-P energy: -86.186 tors. eta vs tors. theta energy: -130.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1730.392680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.392680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.392680 (E_RNA) where: Base-Base interactions energy: -1098.750 where: short stacking energy: -518.978 Base-Backbone interact. energy: -4.117 local terms energy: -627.525963 where: bonds (distance) C4'-P energy: -135.085 bonds (distance) P-C4' energy: -136.490 flat angles C4'-P-C4' energy: -134.845 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -118.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1385.892515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.892515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.892515 (E_RNA) where: Base-Base interactions energy: -856.072 where: short stacking energy: -437.638 Base-Backbone interact. energy: 0.116 local terms energy: -529.936380 where: bonds (distance) C4'-P energy: -123.241 bonds (distance) P-C4' energy: -120.166 flat angles C4'-P-C4' energy: -118.712 flat angles P-C4'-P energy: -76.105 tors. eta vs tors. theta energy: -91.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1162.474416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.474416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.474416 (E_RNA) where: Base-Base interactions energy: -706.635 where: short stacking energy: -344.729 Base-Backbone interact. energy: 0.819 local terms energy: -456.658022 where: bonds (distance) C4'-P energy: -125.161 bonds (distance) P-C4' energy: -144.477 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -42.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -740.748269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.748269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.748269 (E_RNA) where: Base-Base interactions energy: -329.937 where: short stacking energy: -188.704 Base-Backbone interact. energy: -2.221 local terms energy: -408.590760 where: bonds (distance) C4'-P energy: -121.607 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -114.238 flat angles P-C4'-P energy: -61.168 tors. eta vs tors. theta energy: 18.933 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: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2719.356120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.356120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.356120 (E_RNA) where: Base-Base interactions energy: -1898.674 where: short stacking energy: -748.120 Base-Backbone interact. energy: -4.292 local terms energy: -816.389504 where: bonds (distance) C4'-P energy: -172.355 bonds (distance) P-C4' energy: -163.837 flat angles C4'-P-C4' energy: -175.309 flat angles P-C4'-P energy: -89.898 tors. eta vs tors. theta energy: -214.990 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: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2679.390832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.390832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.390832 (E_RNA) where: Base-Base interactions energy: -1821.954 where: short stacking energy: -818.311 Base-Backbone interact. energy: 0.255 local terms energy: -857.691158 where: bonds (distance) C4'-P energy: -148.897 bonds (distance) P-C4' energy: -155.325 flat angles C4'-P-C4' energy: -177.861 flat angles P-C4'-P energy: -126.580 tors. eta vs tors. theta energy: -249.027 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: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2565.695813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.695813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.695813 (E_RNA) where: Base-Base interactions energy: -1778.079 where: short stacking energy: -755.433 Base-Backbone interact. energy: -0.383 local terms energy: -787.233458 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -156.174 flat angles C4'-P-C4' energy: -159.365 flat angles P-C4'-P energy: -113.424 tors. eta vs tors. theta energy: -219.103 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: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2369.941807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.941807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.941807 (E_RNA) where: Base-Base interactions energy: -1625.533 where: short stacking energy: -685.559 Base-Backbone interact. energy: 0.570 local terms energy: -744.978608 where: bonds (distance) C4'-P energy: -145.566 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -159.815 flat angles P-C4'-P energy: -108.212 tors. eta vs tors. theta energy: -190.637 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: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2291.850012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.850012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.850012 (E_RNA) where: Base-Base interactions energy: -1553.204 where: short stacking energy: -670.803 Base-Backbone interact. energy: -3.327 local terms energy: -735.319131 where: bonds (distance) C4'-P energy: -132.184 bonds (distance) P-C4' energy: -127.633 flat angles C4'-P-C4' energy: -163.477 flat angles P-C4'-P energy: -114.840 tors. eta vs tors. theta energy: -197.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1844.682141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.682141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.682141 (E_RNA) where: Base-Base interactions energy: -1228.552 where: short stacking energy: -516.534 Base-Backbone interact. energy: 1.974 local terms energy: -618.103765 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -126.352 flat angles P-C4'-P energy: -96.295 tors. eta vs tors. theta energy: -116.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1716.486936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.486936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.486936 (E_RNA) where: Base-Base interactions energy: -1155.264 where: short stacking energy: -483.132 Base-Backbone interact. energy: -0.363 local terms energy: -560.859089 where: bonds (distance) C4'-P energy: -114.189 bonds (distance) P-C4' energy: -119.071 flat angles C4'-P-C4' energy: -143.318 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -98.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1454.517590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.517590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.517590 (E_RNA) where: Base-Base interactions energy: -899.753 where: short stacking energy: -407.899 Base-Backbone interact. energy: -4.431 local terms energy: -550.334072 where: bonds (distance) C4'-P energy: -132.738 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -124.611 flat angles P-C4'-P energy: -73.175 tors. eta vs tors. theta energy: -83.088 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: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1205.822093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.822093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.822093 (E_RNA) where: Base-Base interactions energy: -682.468 where: short stacking energy: -343.185 Base-Backbone interact. energy: 0.396 local terms energy: -523.750426 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -140.618 flat angles C4'-P-C4' energy: -114.351 flat angles P-C4'-P energy: -97.610 tors. eta vs tors. theta energy: -47.076 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: 10, replica: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -781.321058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.321058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.321058 (E_RNA) where: Base-Base interactions energy: -372.222 where: short stacking energy: -237.263 Base-Backbone interact. energy: 5.575 local terms energy: -414.673670 where: bonds (distance) C4'-P energy: -98.978 bonds (distance) P-C4' energy: -144.348 flat angles C4'-P-C4' energy: -127.154 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: 9.168 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: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2731.250489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.250489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.250489 (E_RNA) where: Base-Base interactions energy: -1887.133 where: short stacking energy: -775.141 Base-Backbone interact. energy: -2.984 local terms energy: -841.132882 where: bonds (distance) C4'-P energy: -157.551 bonds (distance) P-C4' energy: -164.603 flat angles C4'-P-C4' energy: -180.740 flat angles P-C4'-P energy: -112.907 tors. eta vs tors. theta energy: -225.332 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: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2708.956106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.956106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.956106 (E_RNA) where: Base-Base interactions energy: -1834.907 where: short stacking energy: -844.967 Base-Backbone interact. energy: -0.259 local terms energy: -873.789330 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -159.161 flat angles C4'-P-C4' energy: -180.542 flat angles P-C4'-P energy: -125.482 tors. eta vs tors. theta energy: -264.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2603.155195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.155195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.155195 (E_RNA) where: Base-Base interactions energy: -1788.924 where: short stacking energy: -763.194 Base-Backbone interact. energy: -2.875 local terms energy: -811.356699 where: bonds (distance) C4'-P energy: -157.702 bonds (distance) P-C4' energy: -146.385 flat angles C4'-P-C4' energy: -171.990 flat angles P-C4'-P energy: -121.374 tors. eta vs tors. theta energy: -213.905 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: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2337.083676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.083676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.083676 (E_RNA) where: Base-Base interactions energy: -1609.919 where: short stacking energy: -674.187 Base-Backbone interact. energy: -4.648 local terms energy: -722.517286 where: bonds (distance) C4'-P energy: -138.373 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -166.204 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -188.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2220.623247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.623247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.623247 (E_RNA) where: Base-Base interactions energy: -1502.933 where: short stacking energy: -617.500 Base-Backbone interact. energy: -1.573 local terms energy: -716.117088 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -150.423 flat angles C4'-P-C4' energy: -160.106 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -180.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1856.872991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.872991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.872991 (E_RNA) where: Base-Base interactions energy: -1249.272 where: short stacking energy: -550.805 Base-Backbone interact. energy: -0.921 local terms energy: -606.680463 where: bonds (distance) C4'-P energy: -118.099 bonds (distance) P-C4' energy: -142.132 flat angles C4'-P-C4' energy: -142.271 flat angles P-C4'-P energy: -84.193 tors. eta vs tors. theta energy: -119.985 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: 475 Temperature: 1.200000 Total energy: -1673.618861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.618861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.618861 (E_RNA) where: Base-Base interactions energy: -1093.728 where: short stacking energy: -477.710 Base-Backbone interact. energy: -6.316 local terms energy: -573.575715 where: bonds (distance) C4'-P energy: -127.296 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -138.692 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -88.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1479.239356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.239356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.239356 (E_RNA) where: Base-Base interactions energy: -950.197 where: short stacking energy: -451.467 Base-Backbone interact. energy: 1.470 local terms energy: -530.512258 where: bonds (distance) C4'-P energy: -128.972 bonds (distance) P-C4' energy: -136.813 flat angles C4'-P-C4' energy: -126.774 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -77.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1137.252351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.252351 (E_RNA) where: Base-Base interactions energy: -637.192 where: short stacking energy: -290.888 Base-Backbone interact. energy: 4.366 local terms energy: -504.426781 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -113.915 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: -35.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -762.638634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.638634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.638634 (E_RNA) where: Base-Base interactions energy: -395.195 where: short stacking energy: -218.135 Base-Backbone interact. energy: 0.813 local terms energy: -368.257103 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -127.316 flat angles C4'-P-C4' energy: -88.937 flat angles P-C4'-P energy: -65.853 tors. eta vs tors. theta energy: 31.323 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: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2751.189181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.189181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.189181 (E_RNA) where: Base-Base interactions energy: -1918.144 where: short stacking energy: -755.480 Base-Backbone interact. energy: -4.712 local terms energy: -828.333898 where: bonds (distance) C4'-P energy: -139.454 bonds (distance) P-C4' energy: -156.343 flat angles C4'-P-C4' energy: -185.882 flat angles P-C4'-P energy: -131.281 tors. eta vs tors. theta energy: -215.374 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: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2692.038611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.038611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.038611 (E_RNA) where: Base-Base interactions energy: -1805.814 where: short stacking energy: -824.013 Base-Backbone interact. energy: -2.845 local terms energy: -883.379847 where: bonds (distance) C4'-P energy: -158.620 bonds (distance) P-C4' energy: -148.888 flat angles C4'-P-C4' energy: -181.043 flat angles P-C4'-P energy: -133.027 tors. eta vs tors. theta energy: -261.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2535.246066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.246066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.246066 (E_RNA) where: Base-Base interactions energy: -1755.559 where: short stacking energy: -781.204 Base-Backbone interact. energy: -3.357 local terms energy: -776.330650 where: bonds (distance) C4'-P energy: -143.941 bonds (distance) P-C4' energy: -135.124 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -113.044 tors. eta vs tors. theta energy: -218.214 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: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2385.711383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.711383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.711383 (E_RNA) where: Base-Base interactions energy: -1627.279 where: short stacking energy: -723.282 Base-Backbone interact. energy: -3.258 local terms energy: -755.174259 where: bonds (distance) C4'-P energy: -145.162 bonds (distance) P-C4' energy: -155.385 flat angles C4'-P-C4' energy: -163.286 flat angles P-C4'-P energy: -102.956 tors. eta vs tors. theta energy: -188.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2234.156621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.156621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.156621 (E_RNA) where: Base-Base interactions energy: -1517.491 where: short stacking energy: -677.160 Base-Backbone interact. energy: -0.373 local terms energy: -716.292439 where: bonds (distance) C4'-P energy: -145.387 bonds (distance) P-C4' energy: -135.758 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -105.673 tors. eta vs tors. theta energy: -178.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1854.308247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.308247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.308247 (E_RNA) where: Base-Base interactions energy: -1232.258 where: short stacking energy: -533.916 Base-Backbone interact. energy: -1.992 local terms energy: -620.057627 where: bonds (distance) C4'-P energy: -132.189 bonds (distance) P-C4' energy: -143.305 flat angles C4'-P-C4' energy: -117.648 flat angles P-C4'-P energy: -96.200 tors. eta vs tors. theta energy: -130.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1705.586668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.586668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.586668 (E_RNA) where: Base-Base interactions energy: -1124.328 where: short stacking energy: -486.004 Base-Backbone interact. energy: 3.898 local terms energy: -585.156751 where: bonds (distance) C4'-P energy: -111.722 bonds (distance) P-C4' energy: -140.049 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -90.570 tors. eta vs tors. theta energy: -106.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1458.640199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.640199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.640199 (E_RNA) where: Base-Base interactions energy: -909.385 where: short stacking energy: -430.680 Base-Backbone interact. energy: -0.949 local terms energy: -548.305655 where: bonds (distance) C4'-P energy: -130.926 bonds (distance) P-C4' energy: -120.364 flat angles C4'-P-C4' energy: -129.523 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -98.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1174.586869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.586869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.586869 (E_RNA) where: Base-Base interactions energy: -717.866 where: short stacking energy: -341.740 Base-Backbone interact. energy: 5.058 local terms energy: -461.779667 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -138.236 flat angles C4'-P-C4' energy: -120.099 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -30.577 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: 1 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -771.369886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.369886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.369886 (E_RNA) where: Base-Base interactions energy: -362.639 where: short stacking energy: -242.216 Base-Backbone interact. energy: -0.783 local terms energy: -407.947324 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -115.667 flat angles C4'-P-C4' energy: -114.471 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: 1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2738.420588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.420588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.420588 (E_RNA) where: Base-Base interactions energy: -1915.735 where: short stacking energy: -755.909 Base-Backbone interact. energy: -4.440 local terms energy: -818.245418 where: bonds (distance) C4'-P energy: -153.136 bonds (distance) P-C4' energy: -159.463 flat angles C4'-P-C4' energy: -177.414 flat angles P-C4'-P energy: -116.354 tors. eta vs tors. theta energy: -211.879 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: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2656.540744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.540744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.540744 (E_RNA) where: Base-Base interactions energy: -1823.885 where: short stacking energy: -833.089 Base-Backbone interact. energy: -3.125 local terms energy: -829.530928 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -150.156 flat angles C4'-P-C4' energy: -170.858 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -252.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2521.762021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.762021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.762021 (E_RNA) where: Base-Base interactions energy: -1737.161 where: short stacking energy: -753.163 Base-Backbone interact. energy: -1.936 local terms energy: -782.664904 where: bonds (distance) C4'-P energy: -145.032 bonds (distance) P-C4' energy: -140.935 flat angles C4'-P-C4' energy: -158.961 flat angles P-C4'-P energy: -121.910 tors. eta vs tors. theta energy: -215.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2387.939616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.939616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.939616 (E_RNA) where: Base-Base interactions energy: -1654.495 where: short stacking energy: -674.957 Base-Backbone interact. energy: -1.587 local terms energy: -731.858008 where: bonds (distance) C4'-P energy: -144.487 bonds (distance) P-C4' energy: -130.264 flat angles C4'-P-C4' energy: -171.363 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -182.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2301.043469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.043469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.043469 (E_RNA) where: Base-Base interactions energy: -1602.516 where: short stacking energy: -693.225 Base-Backbone interact. energy: -2.755 local terms energy: -695.772469 where: bonds (distance) C4'-P energy: -124.586 bonds (distance) P-C4' energy: -124.513 flat angles C4'-P-C4' energy: -158.805 flat angles P-C4'-P energy: -96.359 tors. eta vs tors. theta energy: -191.509 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: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1913.307732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.307732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.307732 (E_RNA) where: Base-Base interactions energy: -1259.538 where: short stacking energy: -557.066 Base-Backbone interact. energy: -2.752 local terms energy: -651.018416 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -126.377 flat angles C4'-P-C4' energy: -149.305 flat angles P-C4'-P energy: -107.214 tors. eta vs tors. theta energy: -136.683 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: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1787.667367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.667367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.667367 (E_RNA) where: Base-Base interactions energy: -1204.584 where: short stacking energy: -512.982 Base-Backbone interact. energy: -3.704 local terms energy: -579.378820 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -132.884 flat angles P-C4'-P energy: -70.088 tors. eta vs tors. theta energy: -109.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1406.627629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.627629 (E_RNA) where: Base-Base interactions energy: -881.182 where: short stacking energy: -400.580 Base-Backbone interact. energy: 2.300 local terms energy: -527.746325 where: bonds (distance) C4'-P energy: -120.455 bonds (distance) P-C4' energy: -130.798 flat angles C4'-P-C4' energy: -127.709 flat angles P-C4'-P energy: -91.891 tors. eta vs tors. theta energy: -56.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1140.226572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.226572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.226572 (E_RNA) where: Base-Base interactions energy: -699.453 where: short stacking energy: -325.160 Base-Backbone interact. energy: 2.342 local terms energy: -443.116378 where: bonds (distance) C4'-P energy: -111.496 bonds (distance) P-C4' energy: -124.362 flat angles C4'-P-C4' energy: -125.780 flat angles P-C4'-P energy: -48.449 tors. eta vs tors. theta energy: -33.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -752.285240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.285240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.285240 (E_RNA) where: Base-Base interactions energy: -350.656 where: short stacking energy: -186.369 Base-Backbone interact. energy: -0.762 local terms energy: -400.867222 where: bonds (distance) C4'-P energy: -108.276 bonds (distance) P-C4' energy: -131.767 flat angles C4'-P-C4' energy: -114.431 flat angles P-C4'-P energy: -69.029 tors. eta vs tors. theta energy: 22.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2722.748965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.748965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.748965 (E_RNA) where: Base-Base interactions energy: -1905.359 where: short stacking energy: -767.949 Base-Backbone interact. energy: 0.016 local terms energy: -817.406536 where: bonds (distance) C4'-P energy: -155.909 bonds (distance) P-C4' energy: -151.592 flat angles C4'-P-C4' energy: -178.379 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -218.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2671.667677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.667677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.667677 (E_RNA) where: Base-Base interactions energy: -1818.810 where: short stacking energy: -797.482 Base-Backbone interact. energy: -6.287 local terms energy: -846.570665 where: bonds (distance) C4'-P energy: -134.144 bonds (distance) P-C4' energy: -154.713 flat angles C4'-P-C4' energy: -177.362 flat angles P-C4'-P energy: -134.970 tors. eta vs tors. theta energy: -245.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2518.222286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.222286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.222286 (E_RNA) where: Base-Base interactions energy: -1706.438 where: short stacking energy: -759.410 Base-Backbone interact. energy: -2.229 local terms energy: -809.555189 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -153.105 flat angles C4'-P-C4' energy: -177.079 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -225.914 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: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2337.047112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.047112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.047112 (E_RNA) where: Base-Base interactions energy: -1626.894 where: short stacking energy: -684.660 Base-Backbone interact. energy: -1.471 local terms energy: -708.681981 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -134.363 flat angles C4'-P-C4' energy: -166.636 flat angles P-C4'-P energy: -99.831 tors. eta vs tors. theta energy: -190.161 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: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2314.176534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.176534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.176534 (E_RNA) where: Base-Base interactions energy: -1591.121 where: short stacking energy: -671.600 Base-Backbone interact. energy: -0.340 local terms energy: -722.715601 where: bonds (distance) C4'-P energy: -145.280 bonds (distance) P-C4' energy: -133.046 flat angles C4'-P-C4' energy: -156.551 flat angles P-C4'-P energy: -93.529 tors. eta vs tors. theta energy: -194.310 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: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1839.936187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.936187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.936187 (E_RNA) where: Base-Base interactions energy: -1214.522 where: short stacking energy: -536.375 Base-Backbone interact. energy: -5.827 local terms energy: -619.586926 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -122.494 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -86.561 tors. eta vs tors. theta energy: -124.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1792.410914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.410914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.410914 (E_RNA) where: Base-Base interactions energy: -1198.639 where: short stacking energy: -513.212 Base-Backbone interact. energy: 1.451 local terms energy: -595.223111 where: bonds (distance) C4'-P energy: -113.796 bonds (distance) P-C4' energy: -125.919 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -89.230 tors. eta vs tors. theta energy: -130.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1382.212414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.212414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.212414 (E_RNA) where: Base-Base interactions energy: -857.956 where: short stacking energy: -402.713 Base-Backbone interact. energy: 6.988 local terms energy: -531.244696 where: bonds (distance) C4'-P energy: -112.460 bonds (distance) P-C4' energy: -130.589 flat angles C4'-P-C4' energy: -133.251 flat angles P-C4'-P energy: -88.727 tors. eta vs tors. theta energy: -66.218 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: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1251.867531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.867531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.867531 (E_RNA) where: Base-Base interactions energy: -746.214 where: short stacking energy: -354.665 Base-Backbone interact. energy: -2.034 local terms energy: -503.619724 where: bonds (distance) C4'-P energy: -113.969 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -91.873 tors. eta vs tors. theta energy: -58.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -749.533323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.533323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.533323 (E_RNA) where: Base-Base interactions energy: -362.562 where: short stacking energy: -237.681 Base-Backbone interact. energy: -0.143 local terms energy: -386.829098 where: bonds (distance) C4'-P energy: -117.888 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -91.885 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -15.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2731.563297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.563297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.563297 (E_RNA) where: Base-Base interactions energy: -1906.265 where: short stacking energy: -779.328 Base-Backbone interact. energy: -2.118 local terms energy: -823.180579 where: bonds (distance) C4'-P energy: -152.428 bonds (distance) P-C4' energy: -160.226 flat angles C4'-P-C4' energy: -181.679 flat angles P-C4'-P energy: -112.488 tors. eta vs tors. theta energy: -216.359 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: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2676.764144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.764144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.764144 (E_RNA) where: Base-Base interactions energy: -1832.010 where: short stacking energy: -835.634 Base-Backbone interact. energy: -5.085 local terms energy: -839.668489 where: bonds (distance) C4'-P energy: -153.815 bonds (distance) P-C4' energy: -132.708 flat angles C4'-P-C4' energy: -185.235 flat angles P-C4'-P energy: -106.902 tors. eta vs tors. theta energy: -261.009 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: 479 Temperature: 1.000000 Total energy: -2510.926893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.926893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.926893 (E_RNA) where: Base-Base interactions energy: -1716.236 where: short stacking energy: -741.484 Base-Backbone interact. energy: -4.140 local terms energy: -790.551394 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -145.611 flat angles C4'-P-C4' energy: -179.076 flat angles P-C4'-P energy: -102.576 tors. eta vs tors. theta energy: -228.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2390.619033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.619033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.619033 (E_RNA) where: Base-Base interactions energy: -1640.417 where: short stacking energy: -652.285 Base-Backbone interact. energy: 0.031 local terms energy: -750.232993 where: bonds (distance) C4'-P energy: -153.921 bonds (distance) P-C4' energy: -161.055 flat angles C4'-P-C4' energy: -150.965 flat angles P-C4'-P energy: -106.409 tors. eta vs tors. theta energy: -177.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2330.632391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.632391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.632391 (E_RNA) where: Base-Base interactions energy: -1600.998 where: short stacking energy: -651.813 Base-Backbone interact. energy: -2.315 local terms energy: -727.320176 where: bonds (distance) C4'-P energy: -137.818 bonds (distance) P-C4' energy: -140.934 flat angles C4'-P-C4' energy: -166.885 flat angles P-C4'-P energy: -97.614 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: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1869.658090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.658090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.658090 (E_RNA) where: Base-Base interactions energy: -1225.224 where: short stacking energy: -561.820 Base-Backbone interact. energy: -2.457 local terms energy: -641.976340 where: bonds (distance) C4'-P energy: -132.494 bonds (distance) P-C4' energy: -133.972 flat angles C4'-P-C4' energy: -144.844 flat angles P-C4'-P energy: -88.919 tors. eta vs tors. theta energy: -141.748 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: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1706.947110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.947110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.947110 (E_RNA) where: Base-Base interactions energy: -1111.533 where: short stacking energy: -501.728 Base-Backbone interact. energy: -0.220 local terms energy: -595.194749 where: bonds (distance) C4'-P energy: -130.486 bonds (distance) P-C4' energy: -127.604 flat angles C4'-P-C4' energy: -137.356 flat angles P-C4'-P energy: -72.883 tors. eta vs tors. theta energy: -126.865 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: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1379.427524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.427524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.427524 (E_RNA) where: Base-Base interactions energy: -847.098 where: short stacking energy: -391.129 Base-Backbone interact. energy: -1.841 local terms energy: -530.488234 where: bonds (distance) C4'-P energy: -135.084 bonds (distance) P-C4' energy: -124.649 flat angles C4'-P-C4' energy: -129.642 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: -59.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1232.086712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.086712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.086712 (E_RNA) where: Base-Base interactions energy: -718.546 where: short stacking energy: -333.637 Base-Backbone interact. energy: 0.353 local terms energy: -513.893678 where: bonds (distance) C4'-P energy: -116.647 bonds (distance) P-C4' energy: -130.990 flat angles C4'-P-C4' energy: -128.180 flat angles P-C4'-P energy: -77.303 tors. eta vs tors. theta energy: -60.774 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: 1 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -786.620269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.620269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.620269 (E_RNA) where: Base-Base interactions energy: -416.392 where: short stacking energy: -263.517 Base-Backbone interact. energy: 3.005 local terms energy: -373.233596 where: bonds (distance) C4'-P energy: -110.666 bonds (distance) P-C4' energy: -101.667 flat angles C4'-P-C4' energy: -114.152 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: 10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2765.365449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.365449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.365449 (E_RNA) where: Base-Base interactions energy: -1946.992 where: short stacking energy: -794.531 Base-Backbone interact. energy: -1.220 local terms energy: -817.153854 where: bonds (distance) C4'-P energy: -137.523 bonds (distance) P-C4' energy: -144.092 flat angles C4'-P-C4' energy: -182.205 flat angles P-C4'-P energy: -132.675 tors. eta vs tors. theta energy: -220.660 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: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2670.436552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.436552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.436552 (E_RNA) where: Base-Base interactions energy: -1826.711 where: short stacking energy: -840.300 Base-Backbone interact. energy: -2.283 local terms energy: -841.442468 where: bonds (distance) C4'-P energy: -142.448 bonds (distance) P-C4' energy: -149.563 flat angles C4'-P-C4' energy: -177.262 flat angles P-C4'-P energy: -112.397 tors. eta vs tors. theta energy: -259.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2509.382701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.382701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.382701 (E_RNA) where: Base-Base interactions energy: -1731.262 where: short stacking energy: -756.449 Base-Backbone interact. energy: -1.332 local terms energy: -776.788984 where: bonds (distance) C4'-P energy: -141.329 bonds (distance) P-C4' energy: -136.554 flat angles C4'-P-C4' energy: -164.226 flat angles P-C4'-P energy: -115.364 tors. eta vs tors. theta energy: -219.316 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: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2381.362133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.362133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.362133 (E_RNA) where: Base-Base interactions energy: -1609.445 where: short stacking energy: -677.806 Base-Backbone interact. energy: -4.314 local terms energy: -767.603463 where: bonds (distance) C4'-P energy: -162.848 bonds (distance) P-C4' energy: -144.345 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -110.798 tors. eta vs tors. theta energy: -187.407 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: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2312.417393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.417393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.417393 (E_RNA) where: Base-Base interactions energy: -1579.030 where: short stacking energy: -682.393 Base-Backbone interact. energy: -3.633 local terms energy: -729.754610 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -140.501 flat angles C4'-P-C4' energy: -157.704 flat angles P-C4'-P energy: -98.800 tors. eta vs tors. theta energy: -192.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1826.831543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.831543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.831543 (E_RNA) where: Base-Base interactions energy: -1217.281 where: short stacking energy: -545.026 Base-Backbone interact. energy: 1.607 local terms energy: -611.157802 where: bonds (distance) C4'-P energy: -140.841 bonds (distance) P-C4' energy: -119.218 flat angles C4'-P-C4' energy: -131.877 flat angles P-C4'-P energy: -95.082 tors. eta vs tors. theta energy: -124.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1800.654281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.654281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.654281 (E_RNA) where: Base-Base interactions energy: -1176.683 where: short stacking energy: -505.815 Base-Backbone interact. energy: -2.887 local terms energy: -621.084376 where: bonds (distance) C4'-P energy: -122.113 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -152.400 flat angles P-C4'-P energy: -91.526 tors. eta vs tors. theta energy: -119.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1392.766813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.766813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.766813 (E_RNA) where: Base-Base interactions energy: -862.229 where: short stacking energy: -387.642 Base-Backbone interact. energy: 5.250 local terms energy: -535.787785 where: bonds (distance) C4'-P energy: -135.552 bonds (distance) P-C4' energy: -128.447 flat angles C4'-P-C4' energy: -123.751 flat angles P-C4'-P energy: -81.823 tors. eta vs tors. theta energy: -66.214 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: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1220.164898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.164898 (E_RNA) where: Base-Base interactions energy: -705.870 where: short stacking energy: -342.168 Base-Backbone interact. energy: -1.096 local terms energy: -513.199214 where: bonds (distance) C4'-P energy: -123.893 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -98.908 flat angles P-C4'-P energy: -86.752 tors. eta vs tors. theta energy: -55.096 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: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -782.351639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.351639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.351639 (E_RNA) where: Base-Base interactions energy: -357.914 where: short stacking energy: -251.412 Base-Backbone interact. energy: 1.539 local terms energy: -425.976597 where: bonds (distance) C4'-P energy: -129.254 bonds (distance) P-C4' energy: -106.074 flat angles C4'-P-C4' energy: -117.554 flat angles P-C4'-P energy: -59.418 tors. eta vs tors. theta energy: -13.677 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: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2718.555205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.555205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.555205 (E_RNA) where: Base-Base interactions energy: -1900.817 where: short stacking energy: -773.901 Base-Backbone interact. energy: -4.950 local terms energy: -812.788443 where: bonds (distance) C4'-P energy: -142.167 bonds (distance) P-C4' energy: -158.683 flat angles C4'-P-C4' energy: -175.025 flat angles P-C4'-P energy: -116.772 tors. eta vs tors. theta energy: -220.143 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: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2673.838468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.838468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.838468 (E_RNA) where: Base-Base interactions energy: -1824.783 where: short stacking energy: -825.765 Base-Backbone interact. energy: -4.397 local terms energy: -844.657666 where: bonds (distance) C4'-P energy: -152.808 bonds (distance) P-C4' energy: -139.950 flat angles C4'-P-C4' energy: -173.282 flat angles P-C4'-P energy: -121.907 tors. eta vs tors. theta energy: -256.711 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: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2529.399738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.399738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.399738 (E_RNA) where: Base-Base interactions energy: -1723.693 where: short stacking energy: -722.091 Base-Backbone interact. energy: -5.186 local terms energy: -800.520275 where: bonds (distance) C4'-P energy: -133.790 bonds (distance) P-C4' energy: -148.262 flat angles C4'-P-C4' energy: -188.509 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -218.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2418.771228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.771228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.771228 (E_RNA) where: Base-Base interactions energy: -1686.768 where: short stacking energy: -680.157 Base-Backbone interact. energy: -0.967 local terms energy: -731.036299 where: bonds (distance) C4'-P energy: -128.557 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -144.125 flat angles P-C4'-P energy: -113.991 tors. eta vs tors. theta energy: -197.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2290.791060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.791060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.791060 (E_RNA) where: Base-Base interactions energy: -1591.593 where: short stacking energy: -659.421 Base-Backbone interact. energy: -2.926 local terms energy: -696.271563 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -128.368 flat angles C4'-P-C4' energy: -165.574 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -179.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1866.697812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.697812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.697812 (E_RNA) where: Base-Base interactions energy: -1229.440 where: short stacking energy: -512.729 Base-Backbone interact. energy: -2.446 local terms energy: -634.812370 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -132.676 flat angles C4'-P-C4' energy: -143.195 flat angles P-C4'-P energy: -106.551 tors. eta vs tors. theta energy: -110.875 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: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1852.862668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.862668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.862668 (E_RNA) where: Base-Base interactions energy: -1216.889 where: short stacking energy: -511.278 Base-Backbone interact. energy: -2.446 local terms energy: -633.527264 where: bonds (distance) C4'-P energy: -123.705 bonds (distance) P-C4' energy: -143.187 flat angles C4'-P-C4' energy: -150.131 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -139.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1412.169963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.169963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.169963 (E_RNA) where: Base-Base interactions energy: -846.953 where: short stacking energy: -450.120 Base-Backbone interact. energy: -1.951 local terms energy: -563.265759 where: bonds (distance) C4'-P energy: -123.844 bonds (distance) P-C4' energy: -123.553 flat angles C4'-P-C4' energy: -126.941 flat angles P-C4'-P energy: -75.837 tors. eta vs tors. theta energy: -113.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1145.370394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.370394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.370394 (E_RNA) where: Base-Base interactions energy: -669.746 where: short stacking energy: -336.948 Base-Backbone interact. energy: -5.225 local terms energy: -470.399642 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -119.090 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -40.423 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: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -797.341734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.341734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.341734 (E_RNA) where: Base-Base interactions energy: -416.146 where: short stacking energy: -243.135 Base-Backbone interact. energy: 0.754 local terms energy: -381.949521 where: bonds (distance) C4'-P energy: -121.521 bonds (distance) P-C4' energy: -117.209 flat angles C4'-P-C4' energy: -81.598 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: 7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2744.312412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.312412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.312412 (E_RNA) where: Base-Base interactions energy: -1904.765 where: short stacking energy: -768.977 Base-Backbone interact. energy: -7.865 local terms energy: -831.682038 where: bonds (distance) C4'-P energy: -169.677 bonds (distance) P-C4' energy: -157.173 flat angles C4'-P-C4' energy: -185.015 flat angles P-C4'-P energy: -99.695 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: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2665.089271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.089271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.089271 (E_RNA) where: Base-Base interactions energy: -1801.520 where: short stacking energy: -806.209 Base-Backbone interact. energy: -3.659 local terms energy: -859.911184 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -165.749 flat angles C4'-P-C4' energy: -174.826 flat angles P-C4'-P energy: -119.714 tors. eta vs tors. theta energy: -254.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2541.813069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.813069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.813069 (E_RNA) where: Base-Base interactions energy: -1741.650 where: short stacking energy: -764.020 Base-Backbone interact. energy: -5.101 local terms energy: -795.062632 where: bonds (distance) C4'-P energy: -150.839 bonds (distance) P-C4' energy: -144.696 flat angles C4'-P-C4' energy: -165.510 flat angles P-C4'-P energy: -117.314 tors. eta vs tors. theta energy: -216.704 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: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2382.004650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.004650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.004650 (E_RNA) where: Base-Base interactions energy: -1663.769 where: short stacking energy: -694.092 Base-Backbone interact. energy: -3.231 local terms energy: -715.004445 where: bonds (distance) C4'-P energy: -142.649 bonds (distance) P-C4' energy: -125.008 flat angles C4'-P-C4' energy: -158.425 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -184.207 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: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2285.509912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.509912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.509912 (E_RNA) where: Base-Base interactions energy: -1527.806 where: short stacking energy: -671.011 Base-Backbone interact. energy: -1.612 local terms energy: -756.092205 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -148.100 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -205.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1944.129820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.129820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.129820 (E_RNA) where: Base-Base interactions energy: -1296.766 where: short stacking energy: -602.274 Base-Backbone interact. energy: -3.329 local terms energy: -644.034920 where: bonds (distance) C4'-P energy: -127.126 bonds (distance) P-C4' energy: -110.545 flat angles C4'-P-C4' energy: -159.401 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -147.223 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: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1784.220243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.220243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.220243 (E_RNA) where: Base-Base interactions energy: -1209.109 where: short stacking energy: -496.021 Base-Backbone interact. energy: -2.652 local terms energy: -572.458744 where: bonds (distance) C4'-P energy: -111.106 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -122.563 flat angles P-C4'-P energy: -73.246 tors. eta vs tors. theta energy: -131.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1355.999954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.999954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.999954 (E_RNA) where: Base-Base interactions energy: -809.423 where: short stacking energy: -402.294 Base-Backbone interact. energy: -3.603 local terms energy: -542.974398 where: bonds (distance) C4'-P energy: -116.975 bonds (distance) P-C4' energy: -123.315 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -66.441 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1097.363917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.363917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.363917 (E_RNA) where: Base-Base interactions energy: -629.783 where: short stacking energy: -347.062 Base-Backbone interact. energy: -2.994 local terms energy: -464.586102 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -118.507 flat angles C4'-P-C4' energy: -116.244 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -61.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -750.426006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.426006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.426006 (E_RNA) where: Base-Base interactions energy: -361.952 where: short stacking energy: -230.778 Base-Backbone interact. energy: -3.822 local terms energy: -384.651689 where: bonds (distance) C4'-P energy: -111.273 bonds (distance) P-C4' energy: -123.285 flat angles C4'-P-C4' energy: -97.858 flat angles P-C4'-P energy: -70.488 tors. eta vs tors. theta energy: 18.253 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: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2706.896214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.896214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.896214 (E_RNA) where: Base-Base interactions energy: -1892.652 where: short stacking energy: -787.744 Base-Backbone interact. energy: -6.687 local terms energy: -807.556923 where: bonds (distance) C4'-P energy: -139.128 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -173.067 flat angles P-C4'-P energy: -116.335 tors. eta vs tors. theta energy: -224.008 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: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2695.142248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.142248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.142248 (E_RNA) where: Base-Base interactions energy: -1825.005 where: short stacking energy: -834.476 Base-Backbone interact. energy: -1.163 local terms energy: -868.974559 where: bonds (distance) C4'-P energy: -139.108 bonds (distance) P-C4' energy: -154.555 flat angles C4'-P-C4' energy: -180.266 flat angles P-C4'-P energy: -121.271 tors. eta vs tors. theta energy: -273.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2557.559325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.559325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.559325 (E_RNA) where: Base-Base interactions energy: -1764.165 where: short stacking energy: -794.913 Base-Backbone interact. energy: -3.635 local terms energy: -789.759531 where: bonds (distance) C4'-P energy: -142.862 bonds (distance) P-C4' energy: -140.118 flat angles C4'-P-C4' energy: -169.062 flat angles P-C4'-P energy: -99.886 tors. eta vs tors. theta energy: -237.831 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: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2429.217987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.217987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.217987 (E_RNA) where: Base-Base interactions energy: -1673.054 where: short stacking energy: -719.719 Base-Backbone interact. energy: -0.364 local terms energy: -755.799682 where: bonds (distance) C4'-P energy: -134.696 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -217.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2252.491562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.491562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.491562 (E_RNA) where: Base-Base interactions energy: -1550.187 where: short stacking energy: -657.094 Base-Backbone interact. energy: 0.051 local terms energy: -702.355033 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -130.636 flat angles C4'-P-C4' energy: -158.840 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -190.122 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: 483 Temperature: 1.150000 Total energy: -1932.114269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.114269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.114269 (E_RNA) where: Base-Base interactions energy: -1290.278 where: short stacking energy: -564.873 Base-Backbone interact. energy: 1.468 local terms energy: -643.304415 where: bonds (distance) C4'-P energy: -110.505 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -157.491 flat angles P-C4'-P energy: -92.239 tors. eta vs tors. theta energy: -147.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1795.546717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.546717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.546717 (E_RNA) where: Base-Base interactions energy: -1165.076 where: short stacking energy: -553.708 Base-Backbone interact. energy: -1.092 local terms energy: -629.378682 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -132.524 flat angles C4'-P-C4' energy: -138.414 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -149.944 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: 8, replica: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1335.710213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.710213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.710213 (E_RNA) where: Base-Base interactions energy: -804.573 where: short stacking energy: -383.243 Base-Backbone interact. energy: 1.778 local terms energy: -532.915496 where: bonds (distance) C4'-P energy: -118.657 bonds (distance) P-C4' energy: -133.409 flat angles C4'-P-C4' energy: -132.171 flat angles P-C4'-P energy: -80.330 tors. eta vs tors. theta energy: -68.348 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: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1098.863667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.863667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.863667 (E_RNA) where: Base-Base interactions energy: -650.123 where: short stacking energy: -323.502 Base-Backbone interact. energy: 4.319 local terms energy: -453.060394 where: bonds (distance) C4'-P energy: -101.754 bonds (distance) P-C4' energy: -134.112 flat angles C4'-P-C4' energy: -101.013 flat angles P-C4'-P energy: -69.875 tors. eta vs tors. theta energy: -46.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -769.449160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.449160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.449160 (E_RNA) where: Base-Base interactions energy: -376.721 where: short stacking energy: -234.801 Base-Backbone interact. energy: 1.634 local terms energy: -394.362157 where: bonds (distance) C4'-P energy: -115.430 bonds (distance) P-C4' energy: -125.876 flat angles C4'-P-C4' energy: -96.721 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: 4.056 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: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2722.962068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.962068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.962068 (E_RNA) where: Base-Base interactions energy: -1856.655 where: short stacking energy: -833.572 Base-Backbone interact. energy: -2.898 local terms energy: -863.409130 where: bonds (distance) C4'-P energy: -140.375 bonds (distance) P-C4' energy: -146.155 flat angles C4'-P-C4' energy: -178.405 flat angles P-C4'-P energy: -132.505 tors. eta vs tors. theta energy: -265.969 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: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2662.873353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.873353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.873353 (E_RNA) where: Base-Base interactions energy: -1848.806 where: short stacking energy: -760.591 Base-Backbone interact. energy: -6.417 local terms energy: -807.650452 where: bonds (distance) C4'-P energy: -149.273 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -166.682 flat angles P-C4'-P energy: -117.261 tors. eta vs tors. theta energy: -224.237 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: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2536.465210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.465210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.465210 (E_RNA) where: Base-Base interactions energy: -1767.786 where: short stacking energy: -761.439 Base-Backbone interact. energy: -5.946 local terms energy: -762.733714 where: bonds (distance) C4'-P energy: -135.983 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -161.253 flat angles P-C4'-P energy: -102.905 tors. eta vs tors. theta energy: -223.487 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: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2412.411819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.411819 (E_RNA) where: Base-Base interactions energy: -1681.444 where: short stacking energy: -715.103 Base-Backbone interact. energy: -2.399 local terms energy: -728.569222 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -139.289 flat angles C4'-P-C4' energy: -150.321 flat angles P-C4'-P energy: -98.623 tors. eta vs tors. theta energy: -195.254 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: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2252.990622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.990622 (E_RNA) where: Base-Base interactions energy: -1556.069 where: short stacking energy: -651.047 Base-Backbone interact. energy: -4.331 local terms energy: -692.591081 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -129.265 flat angles C4'-P-C4' energy: -152.744 flat angles P-C4'-P energy: -96.435 tors. eta vs tors. theta energy: -190.115 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: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1887.987209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.987209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.987209 (E_RNA) where: Base-Base interactions energy: -1244.018 where: short stacking energy: -546.409 Base-Backbone interact. energy: -4.838 local terms energy: -639.130894 where: bonds (distance) C4'-P energy: -128.138 bonds (distance) P-C4' energy: -138.069 flat angles C4'-P-C4' energy: -165.552 flat angles P-C4'-P energy: -93.009 tors. eta vs tors. theta energy: -114.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1840.315096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.315096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.315096 (E_RNA) where: Base-Base interactions energy: -1234.565 where: short stacking energy: -531.711 Base-Backbone interact. energy: -3.484 local terms energy: -602.266232 where: bonds (distance) C4'-P energy: -113.395 bonds (distance) P-C4' energy: -122.698 flat angles C4'-P-C4' energy: -141.939 flat angles P-C4'-P energy: -94.540 tors. eta vs tors. theta energy: -129.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1431.379562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.379562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.379562 (E_RNA) where: Base-Base interactions energy: -888.810 where: short stacking energy: -408.091 Base-Backbone interact. energy: 2.269 local terms energy: -544.838553 where: bonds (distance) C4'-P energy: -120.658 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -134.252 flat angles P-C4'-P energy: -91.097 tors. eta vs tors. theta energy: -81.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1103.648543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.648543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.648543 (E_RNA) where: Base-Base interactions energy: -622.529 where: short stacking energy: -303.216 Base-Backbone interact. energy: 1.413 local terms energy: -482.532400 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -147.137 flat angles C4'-P-C4' energy: -122.642 flat angles P-C4'-P energy: -66.589 tors. eta vs tors. theta energy: -20.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -685.402426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.402426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.402426 (E_RNA) where: Base-Base interactions energy: -272.279 where: short stacking energy: -171.214 Base-Backbone interact. energy: -2.369 local terms energy: -410.753948 where: bonds (distance) C4'-P energy: -117.993 bonds (distance) P-C4' energy: -138.313 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: 7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2707.000618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.000618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.000618 (E_RNA) where: Base-Base interactions energy: -1820.171 where: short stacking energy: -820.863 Base-Backbone interact. energy: -1.910 local terms energy: -884.919248 where: bonds (distance) C4'-P energy: -165.053 bonds (distance) P-C4' energy: -143.829 flat angles C4'-P-C4' energy: -183.860 flat angles P-C4'-P energy: -128.489 tors. eta vs tors. theta energy: -263.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2664.006791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.006791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.006791 (E_RNA) where: Base-Base interactions energy: -1855.924 where: short stacking energy: -757.148 Base-Backbone interact. energy: 1.331 local terms energy: -809.413451 where: bonds (distance) C4'-P energy: -139.569 bonds (distance) P-C4' energy: -146.213 flat angles C4'-P-C4' energy: -179.727 flat angles P-C4'-P energy: -126.795 tors. eta vs tors. theta energy: -217.110 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: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2510.024731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.024731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.024731 (E_RNA) where: Base-Base interactions energy: -1721.420 where: short stacking energy: -753.446 Base-Backbone interact. energy: -2.788 local terms energy: -785.816414 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -147.130 flat angles C4'-P-C4' energy: -159.727 flat angles P-C4'-P energy: -110.538 tors. eta vs tors. theta energy: -216.117 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: 9 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2420.207607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.207607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.207607 (E_RNA) where: Base-Base interactions energy: -1681.751 where: short stacking energy: -686.082 Base-Backbone interact. energy: -1.077 local terms energy: -737.378865 where: bonds (distance) C4'-P energy: -144.215 bonds (distance) P-C4' energy: -151.214 flat angles C4'-P-C4' energy: -158.137 flat angles P-C4'-P energy: -87.332 tors. eta vs tors. theta energy: -196.481 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: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2256.359482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.359482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.359482 (E_RNA) where: Base-Base interactions energy: -1528.489 where: short stacking energy: -678.968 Base-Backbone interact. energy: -2.940 local terms energy: -724.930603 where: bonds (distance) C4'-P energy: -124.917 bonds (distance) P-C4' energy: -153.102 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -193.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1887.671500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.671500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.671500 (E_RNA) where: Base-Base interactions energy: -1274.396 where: short stacking energy: -550.455 Base-Backbone interact. energy: -1.559 local terms energy: -611.715881 where: bonds (distance) C4'-P energy: -133.494 bonds (distance) P-C4' energy: -114.741 flat angles C4'-P-C4' energy: -138.738 flat angles P-C4'-P energy: -91.687 tors. eta vs tors. theta energy: -133.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1791.310129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.310129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.310129 (E_RNA) where: Base-Base interactions energy: -1208.382 where: short stacking energy: -541.911 Base-Backbone interact. energy: -1.658 local terms energy: -581.270140 where: bonds (distance) C4'-P energy: -124.276 bonds (distance) P-C4' energy: -114.974 flat angles C4'-P-C4' energy: -137.832 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -129.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1409.508815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.508815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.508815 (E_RNA) where: Base-Base interactions energy: -847.442 where: short stacking energy: -422.349 Base-Backbone interact. energy: -1.241 local terms energy: -560.825536 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -80.568 tors. eta vs tors. theta energy: -79.970 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: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1112.128761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.128761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.128761 (E_RNA) where: Base-Base interactions energy: -633.142 where: short stacking energy: -285.997 Base-Backbone interact. energy: -2.222 local terms energy: -476.764909 where: bonds (distance) C4'-P energy: -128.244 bonds (distance) P-C4' energy: -126.810 flat angles C4'-P-C4' energy: -120.120 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -31.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -711.857454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.857454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.857454 (E_RNA) where: Base-Base interactions energy: -299.544 where: short stacking energy: -215.322 Base-Backbone interact. energy: 1.582 local terms energy: -413.895482 where: bonds (distance) C4'-P energy: -117.934 bonds (distance) P-C4' energy: -124.758 flat angles C4'-P-C4' energy: -105.916 flat angles P-C4'-P energy: -65.851 tors. eta vs tors. theta energy: 0.564 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: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2713.552193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.552193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.552193 (E_RNA) where: Base-Base interactions energy: -1859.280 where: short stacking energy: -840.719 Base-Backbone interact. energy: -5.034 local terms energy: -849.238408 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -168.211 flat angles P-C4'-P energy: -123.539 tors. eta vs tors. theta energy: -260.266 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: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2684.611884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.611884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.611884 (E_RNA) where: Base-Base interactions energy: -1892.472 where: short stacking energy: -748.876 Base-Backbone interact. energy: 1.359 local terms energy: -793.499174 where: bonds (distance) C4'-P energy: -141.286 bonds (distance) P-C4' energy: -160.683 flat angles C4'-P-C4' energy: -181.547 flat angles P-C4'-P energy: -90.623 tors. eta vs tors. theta energy: -219.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2539.795529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.795529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.795529 (E_RNA) where: Base-Base interactions energy: -1756.185 where: short stacking energy: -748.518 Base-Backbone interact. energy: -2.517 local terms energy: -781.093284 where: bonds (distance) C4'-P energy: -154.675 bonds (distance) P-C4' energy: -127.436 flat angles C4'-P-C4' energy: -169.416 flat angles P-C4'-P energy: -110.556 tors. eta vs tors. theta energy: -219.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2417.773091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.773091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.773091 (E_RNA) where: Base-Base interactions energy: -1693.448 where: short stacking energy: -692.787 Base-Backbone interact. energy: 6.133 local terms energy: -730.458603 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -135.703 flat angles C4'-P-C4' energy: -163.372 flat angles P-C4'-P energy: -96.180 tors. eta vs tors. theta energy: -194.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2249.139434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.139434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.139434 (E_RNA) where: Base-Base interactions energy: -1531.107 where: short stacking energy: -639.414 Base-Backbone interact. energy: -5.667 local terms energy: -712.366011 where: bonds (distance) C4'-P energy: -150.887 bonds (distance) P-C4' energy: -127.141 flat angles C4'-P-C4' energy: -162.449 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -172.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1876.478147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.478147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.478147 (E_RNA) where: Base-Base interactions energy: -1247.459 where: short stacking energy: -563.021 Base-Backbone interact. energy: -4.349 local terms energy: -624.670711 where: bonds (distance) C4'-P energy: -125.162 bonds (distance) P-C4' energy: -140.664 flat angles C4'-P-C4' energy: -128.578 flat angles P-C4'-P energy: -86.649 tors. eta vs tors. theta energy: -143.618 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: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1844.933422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.933422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.933422 (E_RNA) where: Base-Base interactions energy: -1211.623 where: short stacking energy: -583.774 Base-Backbone interact. energy: -4.685 local terms energy: -628.625768 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -131.146 flat angles C4'-P-C4' energy: -150.713 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -134.840 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: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1453.849832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.849832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.849832 (E_RNA) where: Base-Base interactions energy: -942.707 where: short stacking energy: -446.211 Base-Backbone interact. energy: 1.727 local terms energy: -512.870393 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -107.150 flat angles C4'-P-C4' energy: -127.310 flat angles P-C4'-P energy: -74.763 tors. eta vs tors. theta energy: -71.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1103.054983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.054983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.054983 (E_RNA) where: Base-Base interactions energy: -633.859 where: short stacking energy: -307.786 Base-Backbone interact. energy: 1.568 local terms energy: -470.763204 where: bonds (distance) C4'-P energy: -130.446 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -127.944 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -27.444 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: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -702.948170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.948170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.948170 (E_RNA) where: Base-Base interactions energy: -284.169 where: short stacking energy: -173.836 Base-Backbone interact. energy: -3.801 local terms energy: -414.978411 where: bonds (distance) C4'-P energy: -138.490 bonds (distance) P-C4' energy: -145.429 flat angles C4'-P-C4' energy: -99.200 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: 26.741 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: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2717.637353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.637353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.637353 (E_RNA) where: Base-Base interactions energy: -1847.230 where: short stacking energy: -833.618 Base-Backbone interact. energy: -3.160 local terms energy: -867.247391 where: bonds (distance) C4'-P energy: -160.868 bonds (distance) P-C4' energy: -167.571 flat angles C4'-P-C4' energy: -170.673 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -252.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2678.282931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.282931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.282931 (E_RNA) where: Base-Base interactions energy: -1868.726 where: short stacking energy: -742.893 Base-Backbone interact. energy: -3.989 local terms energy: -805.568677 where: bonds (distance) C4'-P energy: -160.898 bonds (distance) P-C4' energy: -149.042 flat angles C4'-P-C4' energy: -166.294 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -217.126 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: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2519.170869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.170869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.170869 (E_RNA) where: Base-Base interactions energy: -1762.440 where: short stacking energy: -762.416 Base-Backbone interact. energy: -3.576 local terms energy: -753.154671 where: bonds (distance) C4'-P energy: -131.209 bonds (distance) P-C4' energy: -130.517 flat angles C4'-P-C4' energy: -159.678 flat angles P-C4'-P energy: -126.746 tors. eta vs tors. theta energy: -205.005 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: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2408.242051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.242051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.242051 (E_RNA) where: Base-Base interactions energy: -1691.131 where: short stacking energy: -691.986 Base-Backbone interact. energy: 2.241 local terms energy: -719.352387 where: bonds (distance) C4'-P energy: -129.929 bonds (distance) P-C4' energy: -160.431 flat angles C4'-P-C4' energy: -157.330 flat angles P-C4'-P energy: -100.594 tors. eta vs tors. theta energy: -171.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2232.552865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.552865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.552865 (E_RNA) where: Base-Base interactions energy: -1543.178 where: short stacking energy: -646.090 Base-Backbone interact. energy: 1.636 local terms energy: -691.010544 where: bonds (distance) C4'-P energy: -140.824 bonds (distance) P-C4' energy: -128.928 flat angles C4'-P-C4' energy: -132.466 flat angles P-C4'-P energy: -99.901 tors. eta vs tors. theta energy: -188.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1902.004262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.004262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.004262 (E_RNA) where: Base-Base interactions energy: -1262.310 where: short stacking energy: -574.732 Base-Backbone interact. energy: -0.786 local terms energy: -638.908777 where: bonds (distance) C4'-P energy: -118.763 bonds (distance) P-C4' energy: -136.272 flat angles C4'-P-C4' energy: -148.725 flat angles P-C4'-P energy: -91.670 tors. eta vs tors. theta energy: -143.478 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: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1798.425551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.425551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.425551 (E_RNA) where: Base-Base interactions energy: -1177.729 where: short stacking energy: -500.293 Base-Backbone interact. energy: 0.748 local terms energy: -621.445298 where: bonds (distance) C4'-P energy: -123.043 bonds (distance) P-C4' energy: -146.548 flat angles C4'-P-C4' energy: -137.168 flat angles P-C4'-P energy: -106.361 tors. eta vs tors. theta energy: -108.325 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: 487 Temperature: 1.250000 Total energy: -1543.634755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.634755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.634755 (E_RNA) where: Base-Base interactions energy: -1011.377 where: short stacking energy: -479.751 Base-Backbone interact. energy: 4.845 local terms energy: -537.103002 where: bonds (distance) C4'-P energy: -123.793 bonds (distance) P-C4' energy: -121.614 flat angles C4'-P-C4' energy: -119.690 flat angles P-C4'-P energy: -82.965 tors. eta vs tors. theta energy: -89.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1170.441976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.441976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.441976 (E_RNA) where: Base-Base interactions energy: -671.246 where: short stacking energy: -316.418 Base-Backbone interact. energy: -0.287 local terms energy: -498.908851 where: bonds (distance) C4'-P energy: -103.070 bonds (distance) P-C4' energy: -149.062 flat angles C4'-P-C4' energy: -132.215 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -32.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -734.430149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.430149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.430149 (E_RNA) where: Base-Base interactions energy: -321.424 where: short stacking energy: -201.385 Base-Backbone interact. energy: 0.881 local terms energy: -413.887309 where: bonds (distance) C4'-P energy: -121.646 bonds (distance) P-C4' energy: -124.001 flat angles C4'-P-C4' energy: -115.977 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: 6.912 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: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2732.906795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.906795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.906795 (E_RNA) where: Base-Base interactions energy: -1875.142 where: short stacking energy: -841.502 Base-Backbone interact. energy: -0.919 local terms energy: -856.845910 where: bonds (distance) C4'-P energy: -161.573 bonds (distance) P-C4' energy: -136.366 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -128.645 tors. eta vs tors. theta energy: -255.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2678.473181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.473181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.473181 (E_RNA) where: Base-Base interactions energy: -1870.116 where: short stacking energy: -755.049 Base-Backbone interact. energy: -5.309 local terms energy: -803.047825 where: bonds (distance) C4'-P energy: -142.657 bonds (distance) P-C4' energy: -156.962 flat angles C4'-P-C4' energy: -180.290 flat angles P-C4'-P energy: -116.651 tors. eta vs tors. theta energy: -206.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2538.855326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.855326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.855326 (E_RNA) where: Base-Base interactions energy: -1730.980 where: short stacking energy: -755.252 Base-Backbone interact. energy: -1.653 local terms energy: -806.222583 where: bonds (distance) C4'-P energy: -154.201 bonds (distance) P-C4' energy: -151.684 flat angles C4'-P-C4' energy: -160.956 flat angles P-C4'-P energy: -115.230 tors. eta vs tors. theta energy: -224.152 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: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2378.168699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.168699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.168699 (E_RNA) where: Base-Base interactions energy: -1670.503 where: short stacking energy: -707.685 Base-Backbone interact. energy: -1.348 local terms energy: -706.318524 where: bonds (distance) C4'-P energy: -117.724 bonds (distance) P-C4' energy: -138.453 flat angles C4'-P-C4' energy: -162.101 flat angles P-C4'-P energy: -99.438 tors. eta vs tors. theta energy: -188.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2247.563470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.563470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.563470 (E_RNA) where: Base-Base interactions energy: -1498.378 where: short stacking energy: -670.751 Base-Backbone interact. energy: 0.087 local terms energy: -749.272348 where: bonds (distance) C4'-P energy: -143.696 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -165.593 flat angles P-C4'-P energy: -97.769 tors. eta vs tors. theta energy: -194.570 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: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1884.069493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.069493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.069493 (E_RNA) where: Base-Base interactions energy: -1250.376 where: short stacking energy: -546.329 Base-Backbone interact. energy: -0.177 local terms energy: -633.515963 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -153.448 flat angles C4'-P-C4' energy: -143.726 flat angles P-C4'-P energy: -85.141 tors. eta vs tors. theta energy: -137.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1836.111144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.111144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.111144 (E_RNA) where: Base-Base interactions energy: -1197.112 where: short stacking energy: -539.356 Base-Backbone interact. energy: -4.414 local terms energy: -634.584491 where: bonds (distance) C4'-P energy: -131.241 bonds (distance) P-C4' energy: -125.975 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -154.737 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: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1488.748806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.748806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.748806 (E_RNA) where: Base-Base interactions energy: -930.015 where: short stacking energy: -424.099 Base-Backbone interact. energy: -1.071 local terms energy: -557.662740 where: bonds (distance) C4'-P energy: -133.120 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -142.236 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -83.111 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: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1205.396704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.396704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.396704 (E_RNA) where: Base-Base interactions energy: -733.419 where: short stacking energy: -379.913 Base-Backbone interact. energy: 1.860 local terms energy: -473.837746 where: bonds (distance) C4'-P energy: -155.924 bonds (distance) P-C4' energy: -103.604 flat angles C4'-P-C4' energy: -92.013 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -51.783 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: 10, replica: 1 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -691.624567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.624567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.624567 (E_RNA) where: Base-Base interactions energy: -295.125 where: short stacking energy: -194.789 Base-Backbone interact. energy: -0.066 local terms energy: -396.434436 where: bonds (distance) C4'-P energy: -124.628 bonds (distance) P-C4' energy: -116.987 flat angles C4'-P-C4' energy: -121.532 flat angles P-C4'-P energy: -55.039 tors. eta vs tors. theta energy: 21.752 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: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2710.449372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.449372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.449372 (E_RNA) where: Base-Base interactions energy: -1839.672 where: short stacking energy: -821.384 Base-Backbone interact. energy: -2.859 local terms energy: -867.917832 where: bonds (distance) C4'-P energy: -157.700 bonds (distance) P-C4' energy: -146.538 flat angles C4'-P-C4' energy: -173.618 flat angles P-C4'-P energy: -132.849 tors. eta vs tors. theta energy: -257.213 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: 489 Temperature: 0.950000 Total energy: -2683.417234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.417234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.417234 (E_RNA) where: Base-Base interactions energy: -1879.767 where: short stacking energy: -761.916 Base-Backbone interact. energy: -1.741 local terms energy: -801.909418 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -159.356 flat angles C4'-P-C4' energy: -177.942 flat angles P-C4'-P energy: -119.509 tors. eta vs tors. theta energy: -210.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2544.846426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.846426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.846426 (E_RNA) where: Base-Base interactions energy: -1765.584 where: short stacking energy: -732.448 Base-Backbone interact. energy: -1.993 local terms energy: -777.269086 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -168.568 flat angles P-C4'-P energy: -119.148 tors. eta vs tors. theta energy: -206.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2392.364298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.364298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.364298 (E_RNA) where: Base-Base interactions energy: -1654.853 where: short stacking energy: -676.243 Base-Backbone interact. energy: -0.730 local terms energy: -736.781120 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -163.100 flat angles C4'-P-C4' energy: -152.250 flat angles P-C4'-P energy: -102.522 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: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2237.050651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.050651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.050651 (E_RNA) where: Base-Base interactions energy: -1527.079 where: short stacking energy: -687.158 Base-Backbone interact. energy: -5.702 local terms energy: -704.269435 where: bonds (distance) C4'-P energy: -119.569 bonds (distance) P-C4' energy: -124.489 flat angles C4'-P-C4' energy: -158.844 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -197.328 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: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1898.882693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.882693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.882693 (E_RNA) where: Base-Base interactions energy: -1252.042 where: short stacking energy: -555.557 Base-Backbone interact. energy: 0.703 local terms energy: -647.543546 where: bonds (distance) C4'-P energy: -138.490 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -148.926 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -143.265 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: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1768.453983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.453983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.453983 (E_RNA) where: Base-Base interactions energy: -1181.231 where: short stacking energy: -556.051 Base-Backbone interact. energy: 1.931 local terms energy: -589.153829 where: bonds (distance) C4'-P energy: -119.070 bonds (distance) P-C4' energy: -125.912 flat angles C4'-P-C4' energy: -133.844 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -128.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1459.936654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.936654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.936654 (E_RNA) where: Base-Base interactions energy: -894.200 where: short stacking energy: -405.881 Base-Backbone interact. energy: -1.386 local terms energy: -564.350890 where: bonds (distance) C4'-P energy: -144.173 bonds (distance) P-C4' energy: -129.340 flat angles C4'-P-C4' energy: -136.686 flat angles P-C4'-P energy: -75.168 tors. eta vs tors. theta energy: -78.984 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: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1114.401471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.401471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.401471 (E_RNA) where: Base-Base interactions energy: -653.507 where: short stacking energy: -302.751 Base-Backbone interact. energy: -3.074 local terms energy: -457.820117 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -120.684 flat angles P-C4'-P energy: -74.421 tors. eta vs tors. theta energy: -18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -703.161601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.161601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.161601 (E_RNA) where: Base-Base interactions energy: -331.642 where: short stacking energy: -198.988 Base-Backbone interact. energy: 10.860 local terms energy: -382.378967 where: bonds (distance) C4'-P energy: -119.897 bonds (distance) P-C4' energy: -141.368 flat angles C4'-P-C4' energy: -100.119 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: 24.981 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: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2753.118398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.118398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.118398 (E_RNA) where: Base-Base interactions energy: -1857.098 where: short stacking energy: -824.838 Base-Backbone interact. energy: -1.804 local terms energy: -894.216960 where: bonds (distance) C4'-P energy: -164.043 bonds (distance) P-C4' energy: -158.147 flat angles C4'-P-C4' energy: -187.691 flat angles P-C4'-P energy: -131.956 tors. eta vs tors. theta energy: -252.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2637.245447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.245447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.245447 (E_RNA) where: Base-Base interactions energy: -1854.522 where: short stacking energy: -737.218 Base-Backbone interact. energy: -2.919 local terms energy: -779.804321 where: bonds (distance) C4'-P energy: -155.716 bonds (distance) P-C4' energy: -150.456 flat angles C4'-P-C4' energy: -165.524 flat angles P-C4'-P energy: -98.604 tors. eta vs tors. theta energy: -209.504 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: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2528.051873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.051873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.051873 (E_RNA) where: Base-Base interactions energy: -1740.130 where: short stacking energy: -762.667 Base-Backbone interact. energy: -1.545 local terms energy: -786.377361 where: bonds (distance) C4'-P energy: -133.171 bonds (distance) P-C4' energy: -144.177 flat angles C4'-P-C4' energy: -167.814 flat angles P-C4'-P energy: -115.320 tors. eta vs tors. theta energy: -225.895 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: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2377.176270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.176270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.176270 (E_RNA) where: Base-Base interactions energy: -1645.875 where: short stacking energy: -668.168 Base-Backbone interact. energy: -1.108 local terms energy: -730.193939 where: bonds (distance) C4'-P energy: -132.066 bonds (distance) P-C4' energy: -139.471 flat angles C4'-P-C4' energy: -159.536 flat angles P-C4'-P energy: -112.251 tors. eta vs tors. theta energy: -186.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2204.060119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.060119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.060119 (E_RNA) where: Base-Base interactions energy: -1488.599 where: short stacking energy: -626.928 Base-Backbone interact. energy: -2.762 local terms energy: -712.699184 where: bonds (distance) C4'-P energy: -145.307 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -162.178 flat angles P-C4'-P energy: -98.971 tors. eta vs tors. theta energy: -174.894 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: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1941.288304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.288304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.288304 (E_RNA) where: Base-Base interactions energy: -1301.321 where: short stacking energy: -568.932 Base-Backbone interact. energy: 3.419 local terms energy: -643.386271 where: bonds (distance) C4'-P energy: -129.697 bonds (distance) P-C4' energy: -115.875 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -86.420 tors. eta vs tors. theta energy: -155.519 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: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1781.372178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.372178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.372178 (E_RNA) where: Base-Base interactions energy: -1167.605 where: short stacking energy: -508.083 Base-Backbone interact. energy: -4.843 local terms energy: -608.923643 where: bonds (distance) C4'-P energy: -99.905 bonds (distance) P-C4' energy: -137.950 flat angles C4'-P-C4' energy: -150.027 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -112.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1581.101214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.101214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.101214 (E_RNA) where: Base-Base interactions energy: -1005.067 where: short stacking energy: -468.402 Base-Backbone interact. energy: -2.998 local terms energy: -573.036721 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -132.216 flat angles C4'-P-C4' energy: -135.851 flat angles P-C4'-P energy: -82.609 tors. eta vs tors. theta energy: -101.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1150.271546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.271546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.271546 (E_RNA) where: Base-Base interactions energy: -650.607 where: short stacking energy: -299.797 Base-Backbone interact. energy: 0.654 local terms energy: -500.318391 where: bonds (distance) C4'-P energy: -132.385 bonds (distance) P-C4' energy: -143.326 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -73.452 tors. eta vs tors. theta energy: -35.642 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: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -705.486434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.486434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.486434 (E_RNA) where: Base-Base interactions energy: -311.583 where: short stacking energy: -209.320 Base-Backbone interact. energy: 11.298 local terms energy: -405.200858 where: bonds (distance) C4'-P energy: -124.052 bonds (distance) P-C4' energy: -104.644 flat angles C4'-P-C4' energy: -120.000 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: 12.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2750.422895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.422895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.422895 (E_RNA) where: Base-Base interactions energy: -1853.234 where: short stacking energy: -849.842 Base-Backbone interact. energy: -0.893 local terms energy: -896.296244 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -160.210 flat angles C4'-P-C4' energy: -186.726 flat angles P-C4'-P energy: -124.510 tors. eta vs tors. theta energy: -267.236 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: 491 Temperature: 0.950000 Total energy: -2629.094319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.094319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.094319 (E_RNA) where: Base-Base interactions energy: -1848.518 where: short stacking energy: -727.742 Base-Backbone interact. energy: -2.937 local terms energy: -777.638876 where: bonds (distance) C4'-P energy: -151.585 bonds (distance) P-C4' energy: -141.412 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -201.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2500.207121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.207121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.207121 (E_RNA) where: Base-Base interactions energy: -1752.703 where: short stacking energy: -736.248 Base-Backbone interact. energy: -1.460 local terms energy: -746.043914 where: bonds (distance) C4'-P energy: -137.965 bonds (distance) P-C4' energy: -132.539 flat angles C4'-P-C4' energy: -168.583 flat angles P-C4'-P energy: -105.833 tors. eta vs tors. theta energy: -201.123 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: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2371.043177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.043177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.043177 (E_RNA) where: Base-Base interactions energy: -1655.287 where: short stacking energy: -692.986 Base-Backbone interact. energy: -0.746 local terms energy: -715.009978 where: bonds (distance) C4'-P energy: -137.229 bonds (distance) P-C4' energy: -133.307 flat angles C4'-P-C4' energy: -158.805 flat angles P-C4'-P energy: -100.172 tors. eta vs tors. theta energy: -185.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2215.167379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.167379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.167379 (E_RNA) where: Base-Base interactions energy: -1468.809 where: short stacking energy: -650.856 Base-Backbone interact. energy: -3.553 local terms energy: -742.804472 where: bonds (distance) C4'-P energy: -129.874 bonds (distance) P-C4' energy: -160.163 flat angles C4'-P-C4' energy: -159.787 flat angles P-C4'-P energy: -108.617 tors. eta vs tors. theta energy: -184.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1944.840480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.840480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.840480 (E_RNA) where: Base-Base interactions energy: -1277.614 where: short stacking energy: -571.056 Base-Backbone interact. energy: 2.198 local terms energy: -669.424544 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -145.984 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -147.689 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: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1814.210302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.210302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.210302 (E_RNA) where: Base-Base interactions energy: -1192.795 where: short stacking energy: -524.749 Base-Backbone interact. energy: -4.804 local terms energy: -616.611707 where: bonds (distance) C4'-P energy: -137.305 bonds (distance) P-C4' energy: -132.477 flat angles C4'-P-C4' energy: -129.899 flat angles P-C4'-P energy: -99.284 tors. eta vs tors. theta energy: -117.647 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: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1469.820613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.820613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.820613 (E_RNA) where: Base-Base interactions energy: -933.925 where: short stacking energy: -434.599 Base-Backbone interact. energy: -6.262 local terms energy: -529.633614 where: bonds (distance) C4'-P energy: -119.618 bonds (distance) P-C4' energy: -120.753 flat angles C4'-P-C4' energy: -131.595 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -71.047 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: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1158.799962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.799962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.799962 (E_RNA) where: Base-Base interactions energy: -703.751 where: short stacking energy: -348.647 Base-Backbone interact. energy: -2.152 local terms energy: -452.897045 where: bonds (distance) C4'-P energy: -120.042 bonds (distance) P-C4' energy: -126.832 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -40.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -684.687011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.687011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.687011 (E_RNA) where: Base-Base interactions energy: -298.838 where: short stacking energy: -183.650 Base-Backbone interact. energy: -1.226 local terms energy: -384.622773 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -140.006 flat angles C4'-P-C4' energy: -103.076 flat angles P-C4'-P energy: -62.758 tors. eta vs tors. theta energy: 32.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/3_Mut-862edcf4_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE